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 |
|
|
21505 |
2hnb   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 49 ILE HG1+ 49 ILE HA 3.40 (# 0:20 Unique 2.48, 3.04 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 696, 697,
&end
#
# 49 ILE MG2 49 ILE HA 3.40 (# 1:20 Unique 2.18, 2.98 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 692, 693, 694,
&end
#
# 33 THR HB 33 THR HA 2.80 (# 2:20 Unique 2.45, 2.52 A)
&rst
ixpk= 2, nxpk= 20, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 THR MG2 33 THR HA 3.50 (# 3:20 Unique 2.09, 3.02 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 466, 467, 468,
&end
#
# 6 LEU MDY 33 THR HA 4.50 (# 4:20 Unique 3.15, 6.68 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 53 ILE HG1- 53 ILE HA 3.40 (# 5:20 Unique 2.42, 2.92 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 774, 775,
&end
#
# 0 AMB 20-2:6 53 ILE HA 3.50 (# 6:20 Single Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 770, 771, 772, 774, 775,
&end
#
# 0 AMB 20-2:7 55 SER HA 3.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1310,1311,1304,
&end
#
# 0 AMB 20-2:8 55 SER HA 3.50 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 798, 799, 798, 799,
&end
#
# 6 LEU HB- 6 LEU HA 3.30 (# 9:20 Unique 2.29, 2.80 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:10 0 AMB 20-1:10 4.50 (# 10:20 Double Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 83, 317, 318, 319,1778,1779,
igr2= 78,1425,
&end
#
# 6 LEU MDX 6 LEU HA 3.80 (# 11:20 Unique 2.05, 3.19 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 67 SER HB+ 54 SER HA 7.00 (# 12:20 Unique 7.09, 7.47 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 954, 955,
&end
#
# 54 SER HB+ 54 SER HA 2.80 (# 13:20 Unique 2.27, 2.47 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 787, 788,
&end
#
# 8 SER HB+ 8 SER HA 3.30 (# 14:20 Unique 2.70, 2.84 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 118, 119,
&end
#
# 8 SER HB- 8 SER HA 3.30 (# 15:20 Unique 2.70, 2.84 A)
&rst
ixpk= 15, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 118, 119,
&end
#
# 85 PHE HB- 85 PHE HA 2.80 (# 16:20 Unique 2.25, 2.48 A)
&rst
ixpk= 16, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1241,1242,
&end
#
# 85 PHE HB+ 85 PHE HA 2.80 (# 17:20 Unique 2.25, 2.48 A)
&rst
ixpk= 17, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1241,1242,
&end
#
# 84 ARG HB- 84 ARG HA 3.30 (# 18:20 Unique 2.31, 2.83 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1217,1218,
&end
#
# 0 AMB 20-2:19 84 ARG HA 3.50 (# 19:20 Single Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1220,1221,1217,1218,
&end
#
# 50 TRP HB+ 50 TRP HA 3.00 (# 20:20 Unique 2.26, 2.62 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 709, 710,
&end
#
# 66 LEU MDX 66 LEU HA 3.50 (# 21:20 Unique 2.00, 3.75 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 52 VAL HB 87 ALA HA 4.50 (# 22:20 Unique 4.24, 4.48 A)
&rst
ixpk= 22, nxpk= 20, iat= 752,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:23 87 ALA HA 3.50 (# 23:20 Single Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1268,1269,1270,1481,1482,
&end
#
# 0 AMB 20-2:27 0 AMB 20-1:27 4.50 (# 27:20 Double Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1477,1478,1479,1481,1482,
igr2=1295,1296,1295,1296,
&end
#
# 84 ARG HN 49 ILE HA 3.50 (# 28:20 Unique 2.41, 2.92 A)
&rst
ixpk= 28, nxpk= 20, iat=1213, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 TRP HN 49 ILE HA 2.80 (# 29:20 Unique 2.14, 2.14 A)
&rst
ixpk= 29, nxpk= 20, iat= 705, 688, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ILE HN 33 THR HA 3.30 (# 30:20 Unique 2.71, 2.92 A)
&rst
ixpk= 30, nxpk= 20, iat= 43, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 GLU HN 33 THR HA 2.80 (# 31:20 Unique 2.38, 2.46 A)
&rst
ixpk= 31, nxpk= 20, iat= 474, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 SER HN 53 ILE HA 2.80 (# 32:20 Unique 2.14, 2.15 A)
&rst
ixpk= 32, nxpk= 20, iat= 783, 766, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 CYS HN 98 PHE HA 3.80 (# 33:20 Unique 2.43, 3.40 A)
&rst
ixpk= 33, nxpk= 20, iat=1443,1425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 7 ILE HN 6 LEU HA 2.80 (# 34:20 Unique 2.15, 2.18 A)
&rst
ixpk= 34, nxpk= 20, iat= 95, 78, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 SER HN 54 SER HA 2.80 (# 35:20 Unique 2.19, 2.42 A)
&rst
ixpk= 35, nxpk= 20, iat= 794, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 LEU HN 6 LEU HA 3.00 (# 36:20 Unique 1.87, 2.66 A)
&rst
ixpk= 36, nxpk= 20, iat= 729, 78, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 ARG HN 92 SER HA 2.80 (# 37:20 Unique 2.15, 2.36 A)
&rst
ixpk= 37, nxpk= 20, iat=1337,1328, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 GLY HN 8 SER HA 2.80 (# 38:20 Unique 2.17, 2.27 A)
&rst
ixpk= 38, nxpk= 20, iat= 125, 116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 TRP HN 85 PHE HA 3.20 (# 39:20 Unique 2.40, 2.61 A)
&rst
ixpk= 39, nxpk= 20, iat= 705,1239, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 86 GLY HN 85 PHE HA 2.80 (# 40:20 Unique 2.21, 2.29 A)
&rst
ixpk= 40, nxpk= 20, iat=1257,1239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 PHE HN 84 ARG HA 2.80 (# 41:20 Unique 2.14, 2.17 A)
&rst
ixpk= 41, nxpk= 20, iat=1237,1215, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:42 84 ARG HA 3.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1666,1213,
&end
#
# 51 LEU HN 50 TRP HA 2.90 (# 43:20 Unique 2.16, 2.43 A)
&rst
ixpk= 43, nxpk= 20, iat= 729, 707, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 88 ILE HN 87 ALA HA 2.80 (# 44:20 Unique 2.14, 2.22 A)
&rst
ixpk= 44, nxpk= 20, iat=1274,1266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 ILE HN 124 ASN HA 2.80 (# 45:20 Unique 2.14, 2.18 A)
&rst
ixpk= 45, nxpk= 20, iat=1829,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 SER HN 91 GLY HA- 3.20 (# 46:20 Unique 2.14, 2.76 A)
&rst
ixpk= 46, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1321,1322,
&end
#
# 90 ILE HN 55 SER HA 3.40 (# 47:20 Unique 2.35, 2.83 A)
&rst
ixpk= 47, nxpk= 20, iat=1300, 796, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 98 PHE HD 98 PHE HA 3.80 (# 48:20 Unique 2.24, 3.39 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1431,1439,
&end
#
# 50 TRP HD1 50 TRP HA 5.30 (# 49:20 Unique 4.78, 4.83 A)
&rst
ixpk= 49, nxpk= 20, iat= 713, 707, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 GLU HN 33 THR HB 2.80 (# 51:20 Unique 2.08, 2.27 A)
&rst
ixpk= 51, nxpk= 20, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 THR HA 33 THR HB 2.80 (# 52:20 Unique 2.45, 2.52 A)
&rst
ixpk= 52, nxpk= 20, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 THR HN 32 THR HB 3.50 (# 53:20 Unique 2.82, 3.20 A)
&rst
ixpk= 53, nxpk= 20, iat= 460, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 THR HN 117 THR HB 3.30 (# 54:20 Unique 2.85, 2.99 A)
&rst
ixpk= 54, nxpk= 20, iat=1705,1709, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 142 TRP HE1 117 THR HB 2.80 (# 55:20 Unique 1.96, 2.54 A)
&rst
ixpk= 55, nxpk= 20, iat=2093,1709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 THR HN 5 THR HB 2.80 (# 57:20 Unique 2.21, 2.26 A)
&rst
ixpk= 57, nxpk= 20, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 TRP HD1 5 THR HB 7.00 (# 58:20 Unique 5.73, 6.15 A)
&rst
ixpk= 58, nxpk= 20, iat= 713, 66, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 120 THR HN 120 THR HB 3.50 (# 59:20 Unique 2.92, 3.08 A)
&rst
ixpk= 59, nxpk= 20, iat=1741,1745, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 THR HN 35 THR HB 3.50 (# 60:20 Unique 2.68, 3.39 A)
&rst
ixpk= 60, nxpk= 20, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LEU HN 11 THR HB 3.50 (# 61:20 Unique 2.11, 3.02 A)
&rst
ixpk= 61, nxpk= 20, iat= 157, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 GLY HN 8 SER HB+ 4.30 (# 62:20 Unique 3.10, 3.78 A)
&rst
ixpk= 62, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 118, 119,
&end
#
# 8 SER HA 8 SER HB+ 3.50 (# 63:20 Unique 2.70, 2.84 A)
&rst
ixpk= 63, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 118, 119,
&end
#
# 8 SER HA 8 SER HB- 3.50 (# 64:20 Unique 2.70, 2.84 A)
&rst
ixpk= 64, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 118, 119,
&end
#
# 95 TYR HD 92 SER HB- 4.50 (# 65:20 Unique 2.37, 5.42 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1384,1393,
igr2=1330,1331,
&end
#
# 143 VAL HN 143 VAL HA 3.50 (# 66:20 Unique 2.80, 2.83 A)
&rst
ixpk= 66, nxpk= 20, iat=2107,2109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 GLY HN 47 SER HB- 4.30 (# 67:20 Unique 3.14, 3.86 A)
&rst
ixpk= 67, nxpk= 20, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 672, 673,
&end
#
# 48 GLY HN 47 SER HB+ 4.30 (# 68:20 Unique 3.14, 3.86 A)
&rst
ixpk= 68, nxpk= 20, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 672, 673,
&end
#
# 47 SER HN 47 SER HB+ 4.30 (# 69:20 Unique 3.25, 3.83 A)
&rst
ixpk= 69, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 672, 673,
&end
#
# 112 SER HN 112 SER HB+ 3.50 (# 70:20 Unique 2.07, 2.98 A)
&rst
ixpk= 70, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 112 SER HN 112 SER HB- 3.50 (# 71:20 Unique 2.07, 2.98 A)
&rst
ixpk= 71, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 55 SER HA 0 AMB 20-1:72 3.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 798, 799, 798, 799,
&end
#
# 67 SER HN 67 SER HA 3.20 (# 73:20 Unique 2.73, 2.75 A)
&rst
ixpk= 73, nxpk= 20, iat= 950, 952, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 120 THR HN 120 THR HA 3.20 (# 74:20 Unique 2.71, 2.79 A)
&rst
ixpk= 74, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 121 LEU HN 120 THR HA 2.80 (# 75:20 Unique 2.17, 2.30 A)
&rst
ixpk= 75, nxpk= 20, iat=1755,1743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ASP HN 63 PRO HA 2.80 (# 76:20 Unique 2.28, 2.40 A)
&rst
ixpk= 76, nxpk= 20, iat= 905, 901, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 HIS HN 56 THR HA 2.80 (# 77:20 Unique 2.14, 2.18 A)
&rst
ixpk= 77, nxpk= 20, iat= 819, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 LEU HN 39 PRO HA 2.80 (# 78:20 Unique 2.15, 2.16 A)
&rst
ixpk= 78, nxpk= 20, iat= 560, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 SER HN 141 SER HB+ 3.80 (# 79:20 Unique 2.77, 3.25 A)
&rst
ixpk= 79, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2076,2077,
&end
#
# 0 AMB 20-2:80 0 AMB 20-1:80 3.50 (# 80:20 Double Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1176,2083,
igr2=1180,1181,2076,2077,
&end
#
# 141 SER HN 141 SER HB- 3.80 (# 81:20 Unique 2.77, 3.25 A)
&rst
ixpk= 81, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2076,2077,
&end
#
# 125 ILE HN 125 ILE HA 3.50 (# 82:20 Unique 2.83, 2.93 A)
&rst
ixpk= 82, nxpk= 20, iat=1829,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 LEU HN 35 THR HA 2.80 (# 85:20 Unique 2.14, 2.16 A)
&rst
ixpk= 85, nxpk= 20, iat= 503, 491, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HN 35 THR HA 4.00 (# 86:20 Unique 3.25, 3.38 A)
&rst
ixpk= 86, nxpk= 20, iat= 76, 491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 GLY HN 117 THR HA 2.80 (# 87:20 Unique 2.15, 2.19 A)
&rst
ixpk= 87, nxpk= 20, iat=1719,1707, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ARG HN 83 VAL HA 2.80 (# 88:20 Unique 2.15, 2.21 A)
&rst
ixpk= 88, nxpk= 20, iat=1213,1199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:89 83 VAL HA 3.50 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 679,1197,
&end
#
# 99 CYS HN 99 CYS HA 3.30 (# 90:20 Unique 2.27, 2.71 A)
&rst
ixpk= 90, nxpk= 20, iat=1443,1445, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 53 ILE HN 52 VAL HA 2.80 (# 91:20 Unique 2.15, 2.17 A)
&rst
ixpk= 91, nxpk= 20, iat= 764, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 SER HN 67 SER HB+ 2.90 (# 92:20 Unique 2.16, 2.55 A)
&rst
ixpk= 92, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 954, 955,
&end
#
# 67 SER HN 67 SER HB- 3.00 (# 93:20 Unique 2.16, 2.55 A)
&rst
ixpk= 93, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 954, 955,
&end
#
# 82 ALA HN 81 SER HA 3.60 (# 94:20 Unique 2.82, 3.12 A)
&rst
ixpk= 94, nxpk= 20, iat=1187,1178, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 138 TRP HN 138 TRP HA 3.10 (# 95:20 Unique 2.75, 2.76 A)
&rst
ixpk= 95, nxpk= 20, iat=2022,2024, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 124 ASN HN 123 ILE HA 2.80 (# 96:20 Unique 2.14, 2.21 A)
&rst
ixpk= 96, nxpk= 20, iat=1815,1798, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 TYR HN 17 TYR HA 3.50 (# 97:20 Unique 2.86, 2.91 A)
&rst
ixpk= 97, nxpk= 20, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 TYR HD 70 TYR HA 3.50 (# 98:20 Unique 2.38, 3.63 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1003,1012,
&end
#
# 70 TYR HN 70 TYR HA 3.30 (# 99:20 Unique 2.79, 2.83 A)
&rst
ixpk= 99, nxpk= 20, iat= 995, 997, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 TYR HD 17 TYR HA 4.00 (# 100:20 Unique 2.06, 3.42 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 223, 232,
&end
#
# 69 PHE HN 69 PHE HA 3.20 (# 101:20 Unique 2.81, 2.88 A)
&rst
ixpk= 101, nxpk= 20, iat= 975, 977, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 PHE HD 69 PHE HA 4.00 (# 102:20 Unique 1.98, 3.37 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 983, 991,
&end
#
# 91 GLY HN 90 ILE HA 2.80 (# 103:20 Unique 2.15, 2.21 A)
&rst
ixpk= 103, nxpk= 20, iat=1319,1302, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 SER HN 141 SER HA 3.50 (# 105:20 Unique 2.82, 2.84 A)
&rst
ixpk= 105, nxpk= 20, iat=2072,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:106 110 LYS HA 4.50 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1656,1638,
&end
#
# 0 AMB 20-2:107 110 LYS HA 4.50 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1602,1666,
&end
#
# 106 GLU HN 106 GLU HA 3.50 (# 108:20 Unique 2.76, 2.89 A)
&rst
ixpk= 108, nxpk= 20, iat=1543,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 SER HN 112 SER HA 3.50 (# 109:20 Unique 2.81, 2.85 A)
&rst
ixpk= 109, nxpk= 20, iat=1638,1640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:110 106 GLU HA 5.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1012, 983, 991,
&end
#
# 104 LYS HN 104 LYS HA 3.50 (# 111:20 Unique 2.74, 2.84 A)
&rst
ixpk= 111, nxpk= 20, iat=1502,1504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 SER HN 7 ILE HA 2.80 (# 112:20 Unique 2.14, 2.15 A)
&rst
ixpk= 112, nxpk= 20, iat= 114, 97, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 GLY HN 88 ILE HA 2.80 (# 113:20 Unique 2.14, 2.16 A)
&rst
ixpk= 113, nxpk= 20, iat=1293,1276, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 GLU HN 20 GLU HA 3.30 (# 114:20 Unique 2.81, 2.85 A)
&rst
ixpk= 114, nxpk= 20, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 GLU HN 137 GLU HA 3.30 (# 115:20 Unique 2.74, 2.76 A)
&rst
ixpk= 115, nxpk= 20, iat=2007,2009, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 24 GLU HN 0 AMB 20-1:116 3.50 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 325, 264,
&end
#
# 21 HIS HN 21 HIS HA 3.30 (# 117:20 Unique 2.74, 2.76 A)
&rst
ixpk= 117, nxpk= 20, iat= 277, 279, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 98 PHE HN 97 THR HA 2.80 (# 118:20 Unique 2.14, 2.47 A)
&rst
ixpk= 118, nxpk= 20, iat=1423,1411, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 GLU HN 28 GLU HA 3.20 (# 119:20 Unique 2.76, 2.78 A)
&rst
ixpk= 119, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 71 GLU HN 71 GLU HA 3.30 (# 121:20 Unique 2.75, 2.77 A)
&rst
ixpk= 121, nxpk= 20, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 ALA HN 71 GLU HA 4.50 (# 122:20 Unique 3.52, 3.55 A)
&rst
ixpk= 122, nxpk= 20, iat=1031,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:123 41 LEU HA 4.50 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 579, 598,
&end
#
# 105 LEU HN 105 LEU HA 3.30 (# 124:20 Unique 2.73, 2.77 A)
&rst
ixpk= 124, nxpk= 20, iat=1524,1526, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 74 GLN HN 0 AMB 20-1:125 3.50 (# 125:20 Single Ambig)
&rst
ixpk= 125, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1062,1018,
&end
#
# 69 PHE HD 41 LEU HA 4.50 (# 126:20 Unique 3.35, 5.21 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 983, 991,
&end
#
# 109 LEU HN 109 LEU HA 3.30 (# 127:20 Unique 2.73, 2.77 A)
&rst
ixpk= 127, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 73 LEU HN 73 LEU HA 3.30 (# 128:20 Unique 2.75, 2.78 A)
&rst
ixpk= 128, nxpk= 20, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 GLU HN 42 GLU HA 3.30 (# 129:20 Unique 2.81, 2.86 A)
&rst
ixpk= 129, nxpk= 20, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:130 0 AMB 20-1:130 4.50 (# 130:20 Double Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 613, 409,
igr2= 600, 362,
&end
#
# 75 GLU HN 75 GLU HA 3.30 (# 131:20 Unique 2.81, 2.86 A)
&rst
ixpk= 131, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 94 GLU HN 94 GLU HA 3.30 (# 132:20 Unique 2.76, 2.84 A)
&rst
ixpk= 132, nxpk= 20, iat=1361,1363, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 108 GLU HN 108 GLU HA 3.30 (# 133:20 Unique 2.78, 2.82 A)
&rst
ixpk= 133, nxpk= 20, iat=1568,1570, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 111 ASN HD2- 108 GLU HA 4.00 (# 134:20 Unique 2.84, 3.71 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1633,1634,
&end
#
# 3 ASP HN 3 ASP HA 3.30 (# 136:20 Unique 2.79, 2.84 A)
&rst
ixpk= 136, nxpk= 20, iat= 31, 33, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:137 108 GLU HA 3.50 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1624,1583,
&end
#
# 147 LYS HN 147 LYS HA 2.80 (# 138:20 Unique 2.27, 2.41 A)
&rst
ixpk= 138, nxpk= 20, iat=2175,2177, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ASP HN 64 ASP HA 3.30 (# 139:20 Unique 2.79, 2.87 A)
&rst
ixpk= 139, nxpk= 20, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 ASP HN 103 ASP HA 3.30 (# 140:20 Unique 2.74, 2.77 A)
&rst
ixpk= 140, nxpk= 20, iat=1490,1492, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:141 22 LEU HA 5.50 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 360,
&end
#
# 76 GLN HN 76 GLN HA 3.40 (# 142:20 Unique 2.89, 2.94 A)
&rst
ixpk= 142, nxpk= 20, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 25 LYS HN 25 LYS HA 3.30 (# 143:20 Unique 2.76, 2.79 A)
&rst
ixpk= 143, nxpk= 20, iat= 338, 340, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 96 ASP HN 95 TYR HA 3.50 (# 144:20 Unique 2.19, 3.06 A)
&rst
ixpk= 144, nxpk= 20, iat=1397,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 SER HN 47 SER HA 3.30 (# 145:20 Unique 2.78, 2.79 A)
&rst
ixpk= 145, nxpk= 20, iat= 668, 670, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 48 GLY HN 47 SER HA 2.80 (# 146:20 Unique 2.14, 2.15 A)
&rst
ixpk= 146, nxpk= 20, iat= 679, 670, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LYS HN 77 LYS HA 2.80 (# 147:20 Unique 2.28, 2.28 A)
&rst
ixpk= 147, nxpk= 20, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 ALA HN 23 ALA HA 3.30 (# 148:20 Unique 2.73, 2.75 A)
&rst
ixpk= 148, nxpk= 20, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 35 THR HN 34 GLU HA 2.80 (# 149:20 Unique 2.14, 2.17 A)
&rst
ixpk= 149, nxpk= 20, iat= 489, 476, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 GLU HN 34 GLU HA 3.30 (# 150:20 Unique 2.89, 2.89 A)
&rst
ixpk= 150, nxpk= 20, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 130 ILE HN 129 ASP HA 3.50 (# 151:20 Unique 2.15, 3.10 A)
&rst
ixpk= 151, nxpk= 20, iat=1908,1898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ALA HN 19 ALA HA 3.30 (# 152:20 Unique 2.73, 2.75 A)
&rst
ixpk= 152, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 117 THR HN 116 GLN HA 2.80 (# 153:20 Unique 2.14, 2.17 A)
&rst
ixpk= 153, nxpk= 20, iat=1705,1690, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 ASN HN 111 ASN HA 3.30 (# 154:20 Unique 2.76, 2.78 A)
&rst
ixpk= 154, nxpk= 20, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:155 116 GLN HA 3.50 (# 155:20 Single Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1688,1237,
&end
#
# 43 ASP HN 43 ASP HA 3.30 (# 156:20 Unique 2.91, 2.93 A)
&rst
ixpk= 156, nxpk= 20, iat= 613, 615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 144 ASN HD2- 144 ASN HA 3.30 (# 157:20 Unique 1.88, 2.86 A)
&rst
ixpk= 157, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2132,2133,
&end
#
# 0 AMB 20-2:158 144 ASN HA 5.50 (# 158:20 Single Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2175,2156,
&end
#
# 144 ASN HN 144 ASN HA 3.30 (# 159:20 Unique 2.82, 2.85 A)
&rst
ixpk= 159, nxpk= 20, iat=2123,2125, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 ALA HN 72 ALA HA 3.30 (# 160:20 Unique 2.72, 2.79 A)
&rst
ixpk= 160, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 145 LEU HN 145 LEU HA 3.30 (# 161:20 Unique 2.86, 2.90 A)
&rst
ixpk= 161, nxpk= 20, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 ALA HN 107 ALA HA 3.30 (# 162:20 Unique 2.70, 2.76 A)
&rst
ixpk= 162, nxpk= 20, iat=1558,1560, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:163 146 LEU HA 3.50 (# 163:20 Single Ambig)
&rst
ixpk= 163, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2156,2175,
&end
#
# 65 ASN HN 65 ASN HA 3.30 (# 164:20 Unique 2.84, 2.93 A)
&rst
ixpk= 164, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 GLN HN 115 LYS HA 2.80 (# 165:20 Unique 2.16, 2.38 A)
&rst
ixpk= 165, nxpk= 20, iat=1688,1668, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 LYS HN 115 LYS HA 3.30 (# 166:20 Unique 2.81, 2.89 A)
&rst
ixpk= 166, nxpk= 20, iat=1666,1668, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 ILE HN 61 ASP HA 2.80 (# 167:20 Unique 2.15, 2.49 A)
&rst
ixpk= 167, nxpk= 20, iat= 872, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ASP HN 61 ASP HA 3.30 (# 168:20 Unique 2.28, 2.88 A)
&rst
ixpk= 168, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 122 LYS HN 121 LEU HA 2.80 (# 169:20 Unique 2.14, 2.17 A)
&rst
ixpk= 169, nxpk= 20, iat=1774,1757, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 LEU HN 40 LEU HA 2.80 (# 170:20 Unique 2.35, 2.60 A)
&rst
ixpk= 170, nxpk= 20, iat= 579, 562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 HIS HN 36 LEU HA 2.80 (# 171:20 Unique 2.18, 2.22 A)
&rst
ixpk= 171, nxpk= 20, iat= 522, 505, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ALA HN 80 LEU HA 4.20 (# 172:20 Unique 3.24, 3.79 A)
&rst
ixpk= 172, nxpk= 20, iat=1187,1159, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 59 ALA HN 59 ALA HA 3.30 (# 173:20 Unique 2.28, 2.76 A)
&rst
ixpk= 173, nxpk= 20, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 115 LYS HN 114 ALA HA 2.80 (# 174:20 Unique 2.38, 2.58 A)
&rst
ixpk= 174, nxpk= 20, iat=1666,1658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 ALA HN 114 ALA HA 3.30 (# 175:20 Unique 2.75, 2.79 A)
&rst
ixpk= 175, nxpk= 20, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 29 ALA HN 29 ALA HA 3.30 (# 176:20 Unique 2.77, 2.78 A)
&rst
ixpk= 176, nxpk= 20, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 82 ALA HN 82 ALA HA 3.30 (# 177:20 Unique 2.77, 2.84 A)
&rst
ixpk= 177, nxpk= 20, iat=1187,1189, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 VAL HN 82 ALA HA 3.30 (# 178:20 Unique 2.78, 2.89 A)
&rst
ixpk= 178, nxpk= 20, iat=1197,1189, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 46 ALA HN 46 ALA HA 3.40 (# 179:20 Unique 2.91, 2.94 A)
&rst
ixpk= 179, nxpk= 20, iat= 658, 660, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 47 SER HN 46 ALA HA 3.30 (# 180:20 Unique 2.73, 2.79 A)
&rst
ixpk= 180, nxpk= 20, iat= 668, 660, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 3 ASP HN 2 ALA HA 3.40 (# 182:20 Unique 2.74, 2.99 A)
&rst
ixpk= 182, nxpk= 20, iat= 31, 23, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 77 LYS HN 78 PRO HD- 3.60 (# 183:20 Unique 2.66, 3.12 A)
&rst
ixpk= 183, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1132,1133,
&end
#
# 67 SER HN 68 PRO HD+ 3.00 (# 184:20 Unique 1.88, 2.54 A)
&rst
ixpk= 184, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 962, 963,
&end
#
# 77 LYS HN 78 PRO HD+ 3.60 (# 185:20 Unique 2.66, 3.12 A)
&rst
ixpk= 185, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1132,1133,
&end
#
# 67 SER HN 68 PRO HD- 2.80 (# 186:20 Unique 1.88, 2.54 A)
&rst
ixpk= 186, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 962, 963,
&end
#
# 38 GLY HN 38 GLY HA+ 2.80 (# 187:20 Unique 2.30, 2.53 A)
&rst
ixpk= 187, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 541, 542,
&end
#
# 38 GLY HN 38 GLY HA- 2.80 (# 188:20 Unique 2.30, 2.53 A)
&rst
ixpk= 188, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 541, 542,
&end
#
# 140 GLY HN 140 GLY HA- 2.80 (# 190:20 Unique 2.29, 2.53 A)
&rst
ixpk= 190, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2067,2068,
&end
#
# 140 GLY HN 140 GLY HA+ 2.80 (# 191:20 Unique 2.29, 2.53 A)
&rst
ixpk= 191, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2067,2068,
&end
#
# 59 ALA HN 58 GLY HA+ 3.50 (# 192:20 Unique 2.15, 3.07 A)
&rst
ixpk= 192, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 58 GLY HN 58 GLY HA+ 3.20 (# 193:20 Unique 2.30, 2.72 A)
&rst
ixpk= 193, nxpk= 20, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 838, 839,
&end
#
# 59 ALA HN 58 GLY HA- 3.50 (# 194:20 Unique 2.15, 3.07 A)
&rst
ixpk= 194, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 13 GLY HN 13 GLY HA+ 3.30 (# 195:20 Unique 2.32, 2.77 A)
&rst
ixpk= 195, nxpk= 20, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 178, 179,
&end
#
# 13 GLY HN 13 GLY HA- 3.30 (# 196:20 Unique 2.32, 2.77 A)
&rst
ixpk= 196, nxpk= 20, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 178, 179,
&end
#
# 60 GLY HN 60 GLY HA+ 4.50 (# 197:20 Unique 2.29, 2.63 A)
&rst
ixpk= 197, nxpk= 20, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 30 GLY HN 30 GLY HA+ 3.30 (# 198:20 Unique 2.49, 2.74 A)
&rst
ixpk= 198, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:199 0 AMB 20-1:199 2.80 (# 199:20 Double Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1649, 419,
igr2=1651,1652, 421, 422,
&end
#
# 113 GLY HN 113 GLY HA+ 3.30 (# 200:20 Unique 2.35, 2.73 A)
&rst
ixpk= 200, nxpk= 20, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1651,1652,
&end
#
# 48 GLY HN 48 GLY HA+ 2.80 (# 201:20 Unique 2.55, 2.77 A)
&rst
ixpk= 201, nxpk= 20, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 681, 682,
&end
#
# 114 ALA HN 113 GLY HA- 3.60 (# 202:20 Unique 2.79, 3.23 A)
&rst
ixpk= 202, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1651,1652,
&end
#
# 119 GLU HN 118 GLY HA+ 3.30 (# 203:20 Unique 2.14, 2.72 A)
&rst
ixpk= 203, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1721,1722,
&end
#
# 118 GLY HN 118 GLY HA+ 3.00 (# 204:20 Unique 2.30, 2.65 A)
&rst
ixpk= 204, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1721,1722,
&end
#
# 118 GLY HN 118 GLY HA- 3.00 (# 205:20 Unique 2.30, 2.65 A)
&rst
ixpk= 205, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1721,1722,
&end
#
# 119 GLU HN 118 GLY HA- 3.20 (# 206:20 Unique 2.14, 2.72 A)
&rst
ixpk= 206, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1721,1722,
&end
#
# 85 PHE HA 85 PHE HB+ 2.80 (# 207:20 Unique 2.25, 2.48 A)
&rst
ixpk= 207, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1241,1242,
&end
#
# 85 PHE HA 85 PHE HB- 2.80 (# 208:20 Unique 2.25, 2.48 A)
&rst
ixpk= 208, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1241,1242,
&end
#
# 7 ILE HN 7 ILE HB 2.80 (# 210:20 Unique 2.42, 2.48 A)
&rst
ixpk= 210, nxpk= 20, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU HN 146 LEU HB- 3.30 (# 211:20 Unique 2.21, 2.95 A)
&rst
ixpk= 211, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2160,2161,
&end
#
# 146 LEU HN 146 LEU HB+ 3.30 (# 212:20 Unique 2.21, 2.95 A)
&rst
ixpk= 212, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2160,2161,
&end
#
# 73 LEU HN 73 LEU HB- 3.30 (# 213:20 Unique 2.07, 2.86 A)
&rst
ixpk= 213, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 74 GLN HN 73 LEU HB- 3.50 (# 214:20 Unique 2.43, 3.01 A)
&rst
ixpk= 214, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1045,1046,
&end
#
# 73 LEU HN 73 LEU HB+ 3.30 (# 215:20 Unique 2.07, 2.86 A)
&rst
ixpk= 215, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 31 PHE HD 3 ASP HB+ 4.50 (# 216:20 Unique 2.86, 4.91 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 434, 442,
igr2= 35, 36,
&end
#
# 62 ILE HN 0 AMB 20-1:217 3.50 (# 217:20 Single Ambig)
&rst
ixpk= 217, nxpk= 20, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 864, 865, 864, 865,
&end
#
# 61 ASP HN 0 AMB 20-1:218 3.50 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 864, 865, 864, 865,
&end
#
# 0 AMB 20-2:219 41 LEU HB- 3.50 (# 219:20 Single Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 579, 598,
igr2= 583, 584,
&end
#
# 44 LEU HN 44 LEU HB+ 3.30 (# 220:20 Unique 2.32, 2.96 A)
&rst
ixpk= 220, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 629, 630,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 3.50 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1867,2137,
igr2=1852,1853,2141,2142,
&end
#
# 0 AMB 20-2:222 40 LEU HB- 4.50 (# 222:20 Single Ambig)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 579, 598,
igr2= 564, 565,
&end
#
# 40 LEU HN 40 LEU HB+ 3.30 (# 223:20 Unique 2.25, 2.93 A)
&rst
ixpk= 223, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 564, 565,
&end
#
# 41 LEU HN 41 LEU HB+ 3.00 (# 224:20 Unique 2.04, 2.62 A)
&rst
ixpk= 224, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 583, 584,
&end
#
# 43 ASP HN 43 ASP HB- 3.60 (# 225:20 Unique 2.57, 3.16 A)
&rst
ixpk= 225, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 617, 618,
&end
#
# 4 ILE HN 4 ILE HB 3.50 (# 226:20 Unique 2.93, 3.03 A)
&rst
ixpk= 226, nxpk= 20, iat= 43, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HN 109 LEU HB- 3.30 (# 227:20 Unique 2.05, 2.78 A)
&rst
ixpk= 227, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1587,1588,
&end
#
# 31 PHE HD 31 PHE HB- 3.50 (# 228:20 Unique 2.28, 3.04 A)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 434, 442,
igr2= 430, 431,
&end
#
# 130 ILE HN 0 AMB 20-1:229 4.50 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1900,1901,1900,1901,
&end
#
# 65 ASN HN 64 ASP HB+ 4.50 (# 230:20 Unique 3.43, 4.15 A)
&rst
ixpk= 230, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 129 ASP HN 0 AMB 20-1:231 4.50 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1900,1901,1900,1901,
&end
#
# 64 ASP HN 64 ASP HB+ 3.30 (# 232:20 Unique 2.10, 2.97 A)
&rst
ixpk= 232, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 909, 910,
&end
#
# 70 TYR HD 70 TYR HB+ 3.50 (# 233:20 Unique 2.30, 3.05 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1003,1012,
igr2= 999,1000,
&end
#
# 79 ASP HN 79 ASP HB- 3.50 (# 234:20 Unique 2.29, 3.09 A)
&rst
ixpk= 234, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 70 TYR HN 70 TYR HB- 2.80 (# 235:20 Unique 2.24, 2.55 A)
&rst
ixpk= 235, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 999,1000,
&end
#
# 70 TYR HN 70 TYR HB+ 2.80 (# 236:20 Unique 2.24, 2.55 A)
&rst
ixpk= 236, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 999,1000,
&end
#
# 95 TYR HD 95 TYR HB- 3.50 (# 237:20 Unique 2.30, 3.05 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1384,1393,
igr2=1380,1381,
&end
#
# 70 TYR HD 70 TYR HB- 3.50 (# 238:20 Unique 2.30, 3.05 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1003,1012,
igr2= 999,1000,
&end
#
# 103 ASP HN 103 ASP HB- 2.80 (# 239:20 Unique 2.07, 2.59 A)
&rst
ixpk= 239, nxpk= 20, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1494,1495,
&end
#
# 79 ASP HN 79 ASP HB+ 3.50 (# 240:20 Unique 2.29, 3.09 A)
&rst
ixpk= 240, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 103 ASP HN 103 ASP HB+ 2.80 (# 241:20 Unique 2.07, 2.59 A)
&rst
ixpk= 241, nxpk= 20, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1494,1495,
&end
#
# 95 TYR HD 95 TYR HB+ 3.50 (# 242:20 Unique 2.30, 3.05 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1384,1393,
igr2=1380,1381,
&end
#
# 49 ILE HN 49 ILE HB 3.30 (# 243:20 Unique 2.78, 2.88 A)
&rst
ixpk= 243, nxpk= 20, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 98 PHE HD 98 PHE HB- 3.50 (# 244:20 Unique 2.28, 3.04 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1439,
igr2=1427,1428,
&end
#
# 0 AMB 20-2:245 0 AMB 20-1:245 3.50 (# 245:20 Double Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 872, 783,
igr2= 876,1475,
&end
#
# 69 PHE HN 69 PHE HB- 2.80 (# 246:20 Unique 2.36, 2.59 A)
&rst
ixpk= 246, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 979, 980,
&end
#
# 69 PHE HN 69 PHE HB+ 2.80 (# 247:20 Unique 2.36, 2.59 A)
&rst
ixpk= 247, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 979, 980,
&end
#
# 125 ILE HN 125 ILE HB 3.60 (# 248:20 Unique 2.78, 3.29 A)
&rst
ixpk= 248, nxpk= 20, iat=1829,1833, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 20-2:249 0 AMB 20-1:249 3.50 (# 249:20 Double Ambig)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2132,2133,2137,
igr2=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 3.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2123,2132,2133,
igr2=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:251 144 ASN HB- 3.50 (# 251:20 Single Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2132,2133,2137,
igr2=2127,2128,
&end
#
# 0 AMB 20-2:252 144 ASN HB- 3.50 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2123,2132,2133,
igr2=2127,2128,
&end
#
# 111 ASN HN 111 ASN HB- 2.80 (# 253:20 Unique 2.09, 2.57 A)
&rst
ixpk= 253, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1628,1629,
&end
#
# 111 ASN HN 111 ASN HB+ 2.80 (# 254:20 Unique 2.09, 2.57 A)
&rst
ixpk= 254, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1628,1629,
&end
#
# 111 ASN HD2- 111 ASN HB- 3.50 (# 255:20 Unique 2.40, 3.08 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 111 ASN HD2- 111 ASN HB+ 3.50 (# 256:20 Unique 2.40, 3.08 A)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 17 TYR HN 17 TYR HB- 3.30 (# 257:20 Unique 2.30, 2.84 A)
&rst
ixpk= 257, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 219, 220,
&end
#
# 17 TYR HD 17 TYR HB- 3.50 (# 258:20 Unique 2.30, 3.05 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 223, 232,
igr2= 219, 220,
&end
#
# 17 TYR HN 17 TYR HB+ 3.30 (# 259:20 Unique 2.30, 2.84 A)
&rst
ixpk= 259, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 219, 220,
&end
#
# 17 TYR HD 17 TYR HB+ 3.50 (# 260:20 Unique 2.30, 3.05 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 223, 232,
igr2= 219, 220,
&end
#
# 20 GLU HN 20 GLU HG- 4.50 (# 261:20 Unique 4.40, 4.48 A)
&rst
ixpk= 261, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 269, 270,
&end
#
# 25 LYS HN 20 GLU HG- 7.00 (# 262:20 Unique 5.57, 6.31 A)
&rst
ixpk= 262, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 269, 270,
&end
#
# 71 GLU HN 71 GLU HG- 3.50 (# 263:20 Unique 2.15, 3.43 A)
&rst
ixpk= 263, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:264 0 AMB 20-1:264 4.50 (# 264:20 Double Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1072,1073,1072,1073,
igr2=1575,1576,1575,1576,
&end
#
# 0 AMB 20-2:265 0 AMB 20-1:265 4.50 (# 265:20 Double Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1568,1041,
igr2=1575,1576,1575,1576,1575,1576,
&end
#
# 71 GLU HN 71 GLU HG+ 4.00 (# 267:20 Unique 2.15, 3.43 A)
&rst
ixpk= 267, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1023,1024,
&end
#
# 27 GLU HN 0 AMB 20-1:269 3.50 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 386, 387, 386, 387,
&end
#
# 28 GLU HN 28 GLU HG- 3.50 (# 270:20 Unique 2.19, 3.13 A)
&rst
ixpk= 270, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 401, 402,
&end
#
# 120 THR HN 0 AMB 20-1:271 5.50 (# 271:20 Single Ambig)
&rst
ixpk= 271, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1733,1734,1733,1734,
&end
#
# 119 GLU HN 0 AMB 20-1:272 3.50 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1733,1734,1733,1734,
&end
#
# 28 GLU HN 28 GLU HG+ 3.50 (# 273:20 Unique 2.19, 3.13 A)
&rst
ixpk= 273, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 401, 402,
&end
#
# 42 GLU HN 0 AMB 20-1:274 3.50 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 605, 606, 605, 606,
&end
#
# 42 GLU HN 42 GLU HG+ 2.80 (# 275:20 Unique 1.95, 2.41 A)
&rst
ixpk= 275, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 605, 606,
&end
#
# 24 GLU HN 24 GLU HG+ 4.50 (# 276:20 Unique 2.77, 4.16 A)
&rst
ixpk= 276, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 330, 331,
&end
#
# 75 GLU HN 75 GLU HG- 4.50 (# 277:20 Unique 2.50, 4.38 A)
&rst
ixpk= 277, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 0 AMB 20-2:278 0 AMB 20-1:278 4.50 (# 278:20 Double Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1077, 560,
igr2=1084,1085, 605, 606,
&end
#
# 16 GLU HN 0 AMB 20-1:279 4.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 207, 208, 207, 208,
&end
#
# 76 GLN HN 76 GLN HG+ 3.30 (# 280:20 Unique 1.95, 2.76 A)
&rst
ixpk= 280, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1099,1100,
&end
#
# 76 GLN HE2- 76 GLN HG+ 3.80 (# 281:20 Unique 2.12, 3.26 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1104,1105,
igr2=1099,1100,
&end
#
# 76 GLN HN 76 GLN HG- 3.30 (# 282:20 Unique 1.95, 2.76 A)
&rst
ixpk= 282, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1099,1100,
&end
#
# 76 GLN HE2- 76 GLN HG- 3.50 (# 283:20 Unique 2.12, 3.26 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1104,1105,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:284 0 AMB 20-1:284 3.50 (# 284:20 Double Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1213,1666,
igr2=1217,1218,1670,1671,1670,1671,
&end
#
# 74 GLN HN 74 GLN HG+ 3.20 (# 285:20 Unique 1.89, 2.68 A)
&rst
ixpk= 285, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1067,1068,
&end
#
# 74 GLN HE2+ 74 GLN HG+ 3.80 (# 286:20 Unique 2.50, 3.50 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 74 GLN HN 74 GLN HG- 3.00 (# 287:20 Unique 1.89, 2.68 A)
&rst
ixpk= 287, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1067,1068,
&end
#
# 147 LYS HN 147 LYS HB+ 4.00 (# 288:20 Unique 2.30, 3.47 A)
&rst
ixpk= 288, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2179,2180,
&end
#
# 84 ARG HA 84 ARG HB- 3.30 (# 289:20 Unique 2.31, 2.83 A)
&rst
ixpk= 289, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1217,1218,
&end
#
# 0 AMB 20-2:290 50 TRP HB- 3.50 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 713,1239,
igr2= 709, 710,
&end
#
# 50 TRP HD1 50 TRP HB+ 3.50 (# 291:20 Unique 2.55, 3.08 A)
&rst
ixpk= 291, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 709, 710,
&end
#
# 52 VAL HN 52 VAL HB 4.00 (# 292:20 Unique 3.60, 3.63 A)
&rst
ixpk= 292, nxpk= 20, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 LYS HN 0 AMB 20-1:293 3.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1606,1607,1606,1607,
&end
#
# 119 GLU HN 119 GLU HB+ 3.60 (# 294:20 Unique 2.57, 3.28 A)
&rst
ixpk= 294, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1730,1731,
&end
#
# 83 VAL HN 83 VAL HB 3.00 (# 295:20 Unique 2.42, 2.61 A)
&rst
ixpk= 295, nxpk= 20, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 SER HN 45 PRO HB- 4.00 (# 296:20 Unique 2.36, 3.59 A)
&rst
ixpk= 296, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 651, 652,
&end
#
# 143 VAL HN 143 VAL HB 3.50 (# 297:20 Unique 3.60, 3.61 A)
&rst
ixpk= 297, nxpk= 20, iat=2107,2111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 GLU HN 75 GLU HB- 3.00 (# 298:20 Unique 2.42, 2.61 A)
&rst
ixpk= 298, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1081,1082,
&end
#
# 76 GLN HN 75 GLU HB+ 3.80 (# 299:20 Unique 2.14, 3.32 A)
&rst
ixpk= 299, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1081,1082,
&end
#
# 75 GLU HN 75 GLU HB+ 3.00 (# 300:20 Unique 2.42, 2.61 A)
&rst
ixpk= 300, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1081,1082,
&end
#
# 138 TRP HN 138 TRP HB+ 3.00 (# 301:20 Unique 2.07, 2.66 A)
&rst
ixpk= 301, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2026,2027,
&end
#
# 106 GLU HN 106 GLU HB- 3.30 (# 302:20 Unique 2.14, 2.81 A)
&rst
ixpk= 302, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1547,1548,
&end
#
# 106 GLU HN 106 GLU HB+ 3.30 (# 303:20 Unique 2.14, 2.81 A)
&rst
ixpk= 303, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1547,1548,
&end
#
# 75 GLU HN 74 GLN HB- 4.50 (# 304:20 Unique 3.94, 4.13 A)
&rst
ixpk= 304, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1064,1065,
&end
#
# 74 GLN HN 74 GLN HB- 3.50 (# 305:20 Unique 2.45, 3.13 A)
&rst
ixpk= 305, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1064,1065,
&end
#
# 74 GLN HN 74 GLN HB+ 3.50 (# 306:20 Unique 2.45, 3.13 A)
&rst
ixpk= 306, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:307 0 AMB 20-1:307 2.80 (# 307:20 Double Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2007, 394,
igr2=2011,2012,2011,2012, 398, 399,
&end
#
# 108 GLU HN 108 GLU HB- 3.00 (# 308:20 Unique 2.06, 2.69 A)
&rst
ixpk= 308, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1572,1573,
&end
#
# 108 GLU HN 108 GLU HB+ 3.00 (# 309:20 Unique 2.06, 2.69 A)
&rst
ixpk= 309, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1572,1573,
&end
#
# 74 GLN HE2+ 74 GLN HB- 3.50 (# 310:20 Unique 1.93, 3.09 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1072,1073,
igr2=1064,1065,
&end
#
# 94 GLU HN 94 GLU HB+ 3.20 (# 311:20 Unique 2.06, 2.76 A)
&rst
ixpk= 311, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1365,1366,
&end
#
# 74 GLN HE2+ 108 GLU HB- 4.50 (# 312:20 Unique 3.09, 5.08 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1072,1073,
igr2=1572,1573,
&end
#
# 28 GLU HN 28 GLU HB- 3.30 (# 313:20 Unique 2.23, 2.91 A)
&rst
ixpk= 313, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 398, 399,
&end
#
# 24 GLU HN 24 GLU HB- 3.00 (# 314:20 Unique 2.21, 2.61 A)
&rst
ixpk= 314, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 327, 328,
&end
#
# 24 GLU HN 24 GLU HB+ 3.00 (# 315:20 Unique 2.21, 2.61 A)
&rst
ixpk= 315, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 327, 328,
&end
#
# 71 GLU HN 0 AMB 20-1:316 3.50 (# 316:20 Single Ambig)
&rst
ixpk= 316, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1020,1021,1020,1021,
&end
#
# 72 ALA HN 0 AMB 20-1:317 3.50 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1020,1021,1020,1021,
&end
#
# 21 HIS HN 21 HIS HB- 3.00 (# 318:20 Unique 2.12, 2.60 A)
&rst
ixpk= 318, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 281, 282,
&end
#
# 0 AMB 20-2:319 6 LEU MDX 4.50 (# 319:20 Single Ambig)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 313, 489,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 20 GLU HN 20 GLU HB- 3.00 (# 320:20 Unique 2.46, 2.54 A)
&rst
ixpk= 320, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 266, 267,
&end
#
# 76 GLN HN 76 GLN HB- 3.80 (# 321:20 Unique 2.74, 3.28 A)
&rst
ixpk= 321, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1096,1097,
&end
#
# 20 GLU HN 20 GLU HB+ 2.80 (# 322:20 Unique 2.46, 2.54 A)
&rst
ixpk= 322, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 266, 267,
&end
#
# 42 GLU HN 0 AMB 20-1:323 3.50 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 602, 603, 602, 603,
&end
#
# 76 GLN HN 76 GLN HB+ 3.60 (# 324:20 Unique 2.74, 3.28 A)
&rst
ixpk= 324, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1096,1097,
&end
#
# 27 GLU HN 0 AMB 20-1:325 4.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 116 GLN HN 116 GLN HB- 2.80 (# 326:20 Unique 2.12, 2.58 A)
&rst
ixpk= 326, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1692,1693,
&end
#
# 116 GLN HN 116 GLN HB+ 2.80 (# 327:20 Unique 2.12, 2.58 A)
&rst
ixpk= 327, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1692,1693,
&end
#
# 142 TRP HN 142 TRP HB- 3.00 (# 328:20 Unique 2.07, 2.60 A)
&rst
ixpk= 328, nxpk= 20, iat=2083, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2087,2088,
&end
#
# 40 LEU HN 40 LEU HG 3.60 (# 329:20 Unique 3.00, 3.20 A)
&rst
ixpk= 329, nxpk= 20, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 TRP HD1 44 LEU MDY 4.50 (# 331:20 Unique 2.55, 4.54 A)
&rst
ixpk= 331, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 69 PHE HD 44 LEU MDY 5.50 (# 332:20 Unique 4.26, 6.65 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 991,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 94 GLU HN 126 LEU MDY 5.50 (# 333:20 Unique 2.66, 5.39 A)
&rst
ixpk= 333, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 124 ASN HD2+ 126 LEU MDY 5.50 (# 334:20 Unique 2.35, 5.30 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 73 LEU HN 73 LEU MDX 4.50 (# 335:20 Unique 3.56, 4.64 A)
&rst
ixpk= 335, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 70 TYR HD 73 LEU MDX 4.50 (# 336:20 Unique 3.38, 7.38 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1003,1012,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 6 LEU HN 6 LEU MDY 3.50 (# 337:20 Unique 1.95, 4.55 A)
&rst
ixpk= 337, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 34 GLU HN 6 LEU MDY 4.50 (# 338:20 Unique 1.91, 5.62 A)
&rst
ixpk= 338, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:341 109 LEU MDX 5.50 (# 341:20 Single Ambig)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1583,1624,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 50 TRP HD1 109 LEU MDX 4.50 (# 342:20 Unique 4.03, 5.54 A)
&rst
ixpk= 342, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 69 PHE HD 109 LEU MDX 4.50 (# 343:20 Unique 3.33, 6.15 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:344 146 LEU MDY 4.50 (# 344:20 Single Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2156,2175,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:345 109 LEU MDY 5.50 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1583,1624,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 50 TRP HD1 109 LEU MDY 4.50 (# 347:20 Unique 4.03, 5.54 A)
&rst
ixpk= 347, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 69 PHE HD 109 LEU MDY 4.50 (# 348:20 Unique 3.33, 6.15 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 73 LEU HN 73 LEU MDY 4.50 (# 349:20 Unique 3.56, 4.64 A)
&rst
ixpk= 349, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:350 73 LEU MDY 5.50 (# 350:20 Single Ambig)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1104,1105, 713,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 57 HIS HN 56 THR MG2 4.50 (# 351:20 Unique 3.21, 4.54 A)
&rst
ixpk= 351, nxpk= 20, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 60 GLY HN 56 THR MG2 4.50 (# 352:20 Unique 2.33, 3.99 A)
&rst
ixpk= 352, nxpk= 20, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 101 ALA HN 56 THR MG2 4.50 (# 353:20 Unique 2.97, 3.98 A)
&rst
ixpk= 353, nxpk= 20, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:354 105 LEU MDY 4.50 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1524, 995,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 76 GLN HE2+ 41 LEU MDY 4.50 (# 355:20 Unique 1.95, 4.42 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1104,1105,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:356 26 LEU MDY 5.50 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 323,2072,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 69 PHE HD 66 LEU MDX 4.50 (# 357:20 Unique 2.85, 6.76 A)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 121 LEU HN 120 THR MG2 3.50 (# 358:20 Unique 1.95, 3.19 A)
&rst
ixpk= 358, nxpk= 20, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1747,1748,1749,
&end
#
# 18 VAL HN 18 VAL MGX 3.50 (# 360:20 Unique 1.93, 3.73 A)
&rst
ixpk= 360, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:361 33 THR MG2 4.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 474, 394,
igr2= 466, 467, 468,
&end
#
# 33 THR HN 33 THR MG2 4.30 (# 362:20 Unique 2.99, 3.85 A)
&rst
ixpk= 362, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 466, 467, 468,
&end
#
# 33 THR HA 33 THR MG2 3.50 (# 363:20 Unique 2.09, 3.02 A)
&rst
ixpk= 363, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 466, 467, 468,
&end
#
# 32 THR HN 32 THR MG2 3.50 (# 365:20 Unique 3.36, 4.14 A)
&rst
ixpk= 365, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 452, 453, 454,
&end
#
# 33 THR HN 32 THR MG2 4.50 (# 366:20 Unique 2.61, 4.34 A)
&rst
ixpk= 366, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 452, 453, 454,
&end
#
# 118 GLY HN 117 THR MG2 4.50 (# 367:20 Unique 3.21, 4.22 A)
&rst
ixpk= 367, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1711,1712,1713,
&end
#
# 0 AMB 20-2:368 117 THR MG2 4.50 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2093,1237,
igr2=1711,1712,1713,
&end
#
# 146 LEU HN 117 THR MG2 4.20 (# 369:20 Unique 2.66, 3.72 A)
&rst
ixpk= 369, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1711,1712,1713,
&end
#
# 41 LEU HN 40 LEU MDY 5.00 (# 370:20 Unique 2.31, 4.66 A)
&rst
ixpk= 370, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 122 LYS HN 121 LEU MDX 4.50 (# 372:20 Unique 2.82, 4.86 A)
&rst
ixpk= 372, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 95 TYR HN 126 LEU MDX 4.50 (# 373:20 Unique 3.08, 5.44 A)
&rst
ixpk= 373, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 52 VAL HN 51 LEU MDX 4.50 (# 374:20 Unique 2.55, 4.91 A)
&rst
ixpk= 374, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 143 VAL HN 143 VAL MGX 4.50 (# 375:20 Unique 1.89, 3.03 A)
&rst
ixpk= 375, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 141 SER HN 143 VAL MGX 5.50 (# 376:20 Unique 4.04, 6.01 A)
&rst
ixpk= 376, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 36 LEU HN 35 THR MG2 4.50 (# 377:20 Unique 3.25, 4.41 A)
&rst
ixpk= 377, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 495, 496, 497,
&end
#
# 87 ALA HA 87 ALA MB 3.00 (# 378:20 Unique 2.22, 2.63 A)
&rst
ixpk= 378, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1268,1269,1270,
&end
#
# 87 ALA HN 87 ALA MB 4.00 (# 379:20 Unique 2.13, 3.45 A)
&rst
ixpk= 379, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1268,1269,1270,
&end
#
# 145 LEU HN 145 LEU MDX 4.50 (# 380:20 Unique 2.40, 4.29 A)
&rst
ixpk= 380, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 20-2:383 87 ALA MB 4.50 (# 383:20 Single Ambig)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1274,1543,
igr2=1268,1269,1270,
&end
#
# 143 VAL HN 143 VAL MGY 3.50 (# 385:20 Unique 1.89, 3.03 A)
&rst
ixpk= 385, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 141 SER HN 143 VAL MGY 4.50 (# 386:20 Unique 4.04, 6.01 A)
&rst
ixpk= 386, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 6 LEU HN 5 THR MG2 4.50 (# 387:20 Unique 2.88, 3.93 A)
&rst
ixpk= 387, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 68, 69, 70,
&end
#
# 50 TRP HD1 0 AMB 20-1:388 4.50 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1166,1167,1168,1170,1171,1172, 754, 755, 756, 758,
759, 760,
&end
#
# 97 THR HN 97 THR MG2 3.80 (# 389:20 Unique 1.98, 3.39 A)
&rst
ixpk= 389, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1415,1416,1417,
&end
#
# 53 ILE HN 52 VAL MGY 5.30 (# 390:20 Unique 4.03, 4.85 A)
&rst
ixpk= 390, nxpk= 20, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 19 ALA HN 18 VAL MGY 4.00 (# 391:20 Unique 1.95, 3.52 A)
&rst
ixpk= 391, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 50 TRP HD1 52 VAL MGX 4.50 (# 392:20 Unique 4.28, 6.22 A)
&rst
ixpk= 392, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HN 52 VAL MGX 3.50 (# 393:20 Unique 1.92, 3.11 A)
&rst
ixpk= 393, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 84 ARG HN 83 VAL MGY 4.50 (# 394:20 Unique 2.00, 4.16 A)
&rst
ixpk= 394, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:395 83 VAL MGY 3.50 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 679,1197,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 114 ALA HN 83 VAL MGY 7.00 (# 396:20 Unique 5.11, 6.66 A)
&rst
ixpk= 396, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:397 146 LEU MDX 4.50 (# 397:20 Single Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2156,2175,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 102 ILE HN 101 ALA MB 4.00 (# 398:20 Unique 1.94, 3.46 A)
&rst
ixpk= 398, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1465,1466,1467,
&end
#
# 101 ALA HN 101 ALA MB 3.30 (# 399:20 Unique 2.18, 2.94 A)
&rst
ixpk= 399, nxpk= 20, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1465,1466,1467,
&end
#
# 102 ILE HN 102 ILE MG2 3.30 (# 400:20 Unique 1.92, 2.88 A)
&rst
ixpk= 400, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1477,1478,1479,
&end
#
# 0 AMB 20-2:401 72 ALA MB 4.50 (# 401:20 Single Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 579, 598,
igr2=1035,1036,1037,
&end
#
# 72 ALA HN 72 ALA MB 2.80 (# 402:20 Unique 2.14, 2.89 A)
&rst
ixpk= 402, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1035,1036,1037,
&end
#
# 76 GLN HE2- 72 ALA MB 4.80 (# 403:20 Unique 2.47, 4.38 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1104,1105,
igr2=1035,1036,1037,
&end
#
# 76 GLN HE2+ 72 ALA MB 4.80 (# 404:20 Unique 2.47, 4.38 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1104,1105,
igr2=1035,1036,1037,
&end
#
# 3 ASP HN 2 ALA MB 3.30 (# 405:20 Unique 1.95, 2.75 A)
&rst
ixpk= 405, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 25, 26, 27,
&end
#
# 34 GLU HN 2 ALA MB 4.50 (# 406:20 Unique 4.69, 5.57 A)
&rst
ixpk= 406, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 4 ILE HN 2 ALA MB 4.50 (# 407:20 Unique 2.90, 4.13 A)
&rst
ixpk= 407, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 33 THR HA 2 ALA MB 3.50 (# 408:20 Unique 3.67, 4.65 A)
&rst
ixpk= 408, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 25, 26, 27,
&end
#
# 103 ASP HN 102 ILE MG2 3.50 (# 409:20 Unique 1.99, 3.20 A)
&rst
ixpk= 409, nxpk= 20, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1477,1478,1479,
&end
#
# 50 TRP HN 49 ILE MG2 4.30 (# 410:20 Unique 2.53, 3.78 A)
&rst
ixpk= 410, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 692, 693, 694,
&end
#
# 0 AMB 20-2:411 49 ILE MG2 4.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1239,2156,
igr2= 692, 693, 694,
&end
#
# 125 ILE HN 125 ILE MG2 3.50 (# 412:20 Unique 1.94, 3.13 A)
&rst
ixpk= 412, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1835,1836,1837,
&end
#
# 115 LYS HN 114 ALA MB 3.50 (# 413:20 Unique 2.03, 2.99 A)
&rst
ixpk= 413, nxpk= 20, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1660,1661,1662,
&end
#
# 114 ALA HN 114 ALA MB 3.30 (# 414:20 Unique 2.06, 2.88 A)
&rst
ixpk= 414, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1660,1661,1662,
&end
#
# 84 ARG HN 83 VAL MGX 3.50 (# 416:20 Unique 2.00, 4.16 A)
&rst
ixpk= 416, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:417 83 VAL MGX 4.50 (# 417:20 Single Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 679,1197,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HD1 83 VAL MGX 4.50 (# 418:20 Unique 2.39, 4.41 A)
&rst
ixpk= 418, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 91 GLY HN 90 ILE MG2 4.00 (# 419:20 Unique 2.19, 3.56 A)
&rst
ixpk= 419, nxpk= 20, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1306,1307,1308,
&end
#
# 15 ALA HN 15 ALA MB 3.40 (# 420:20 Unique 2.14, 2.98 A)
&rst
ixpk= 420, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 194, 195, 196,
&end
#
# 55 SER HA 15 ALA MB 4.50 (# 421:20 Unique 2.47, 4.28 A)
&rst
ixpk= 421, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 194, 195, 196,
&end
#
# 29 ALA HN 29 ALA MB 2.80 (# 422:20 Unique 2.06, 2.88 A)
&rst
ixpk= 422, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 413, 414, 415,
&end
#
# 31 PHE HD 29 ALA MB 3.50 (# 423:20 Unique 2.27, 5.83 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 434, 442,
igr2= 413, 414, 415,
&end
#
# 82 ALA HN 82 ALA MB 2.80 (# 425:20 Unique 2.29, 3.40 A)
&rst
ixpk= 425, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:426 82 ALA MB 4.50 (# 426:20 Single Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 679,1197,
igr2=1191,1192,1193,
&end
#
# 108 GLU HN 107 ALA MB 3.50 (# 427:20 Unique 2.07, 3.16 A)
&rst
ixpk= 427, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1562,1563,1564,
&end
#
# 107 ALA HN 107 ALA MB 2.80 (# 428:20 Unique 2.08, 2.88 A)
&rst
ixpk= 428, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:429 19 ALA MB 2.80 (# 429:20 Single Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 252, 262,
igr2= 256, 257, 258,
&end
#
# 136 GLU HN 135 ALA MB 4.50 (# 431:20 Unique 3.16, 3.91 A)
&rst
ixpk= 431, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1986,1987,1988,
&end
#
# 23 ALA HN 23 ALA MB 3.50 (# 432:20 Unique 2.07, 2.88 A)
&rst
ixpk= 432, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 317, 318, 319,
&end
#
# 24 GLU HN 23 ALA MB 3.50 (# 433:20 Unique 2.52, 3.39 A)
&rst
ixpk= 433, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 317, 318, 319,
&end
#
# 46 ALA HN 46 ALA MB 3.50 (# 434:20 Unique 2.48, 3.23 A)
&rst
ixpk= 434, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 662, 663, 664,
&end
#
# 47 SER HN 46 ALA MB 4.50 (# 435:20 Unique 4.07, 4.44 A)
&rst
ixpk= 435, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 662, 663, 664,
&end
#
# 5 THR HN 4 ILE MG2 4.50 (# 436:20 Unique 3.69, 4.64 A)
&rst
ixpk= 436, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 49, 50, 51,
&end
#
# 59 ALA HN 59 ALA MB 4.50 (# 437:20 Unique 2.23, 3.21 A)
&rst
ixpk= 437, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 847, 848, 849,
&end
#
# 0 AMB 20-2:438 62 ILE MG2 4.50 (# 438:20 Single Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 872, 783,
igr2= 878, 879, 880,
&end
#
# 8 SER HN 7 ILE MG2 4.30 (# 440:20 Unique 2.60, 3.90 A)
&rst
ixpk= 440, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 101, 102, 103,
&end
#
# 89 GLY HN 88 ILE MG2 4.30 (# 441:20 Unique 2.47, 3.83 A)
&rst
ixpk= 441, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1280,1281,1282,
&end
#
# 50 TRP HD1 7 ILE MD1 3.50 (# 442:20 Unique 2.89, 4.09 A)
&rst
ixpk= 442, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 108, 109, 110,
&end
#
# 70 TYR HD 62 ILE MD1 4.50 (# 444:20 Unique 4.78, 5.94 A)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1003,1012,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:445 139 LEU HB- 4.50 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2048,1994,
igr2=2050,2051,
&end
#
# 52 VAL HA 7 ILE HB 2.50 (# 446:20 Unique 1.92, 1.97 A)
&rst
ixpk= 446, nxpk= 20, iat= 750, 99, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 20-2:447 0 AMB 20-1:447 3.50 (# 447:20 Double Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2158,1526,
igr2=2160,2161,1528,1529,
&end
#
# 127 ASP HA 0 AMB 20-1:449 4.50 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1871,1872,1871,1872,
&end
#
# 12 LEU HA 12 LEU HB+ 3.00 (# 450:20 Unique 2.22, 2.66 A)
&rst
ixpk= 450, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 161, 162,
&end
#
# 73 LEU HA 73 LEU HB- 3.30 (# 451:20 Unique 2.56, 2.81 A)
&rst
ixpk= 451, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 73 LEU HA 73 LEU HB+ 3.30 (# 452:20 Unique 2.56, 2.81 A)
&rst
ixpk= 452, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 53 ILE HA 88 ILE HB 3.30 (# 453:20 Unique 2.23, 2.76 A)
&rst
ixpk= 453, nxpk= 20, iat= 766,1278, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 ASP HA 0 AMB 20-1:454 3.50 (# 454:20 Single Ambig)
&rst
ixpk= 454, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 864, 865, 864, 865,
&end
#
# 0 AMB 20-2:455 0 AMB 20-1:455 4.50 (# 455:20 Double Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1850,2139,
igr2=1852,1853,2141,2142,
&end
#
# 145 LEU HA 145 LEU HB+ 3.30 (# 456:20 Unique 2.42, 2.79 A)
&rst
ixpk= 456, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2141,2142,
&end
#
# 0 AMB 20-2:457 0 AMB 20-1:457 4.50 (# 457:20 Double Ambig)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1545,1585,
igr2=1587,1588,1587,1588,
&end
#
# 64 ASP HA 64 ASP HB- 3.30 (# 458:20 Unique 2.39, 2.77 A)
&rst
ixpk= 458, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 909, 910,
&end
#
# 64 ASP HA 64 ASP HB+ 3.30 (# 459:20 Unique 2.39, 2.77 A)
&rst
ixpk= 459, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 909, 910,
&end
#
# 4 ILE HA 49 ILE HB 4.50 (# 460:20 Unique 3.45, 3.92 A)
&rst
ixpk= 460, nxpk= 20, iat= 45, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ILE HA 125 ILE HB 2.80 (# 461:20 Unique 2.37, 2.44 A)
&rst
ixpk= 461, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU HA 136 GLU HG- 3.30 (# 462:20 Unique 2.04, 2.82 A)
&rst
ixpk= 462, nxpk= 20, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1999,2000,
&end
#
# 136 GLU HA 136 GLU HG+ 3.30 (# 463:20 Unique 2.04, 2.82 A)
&rst
ixpk= 463, nxpk= 20, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1999,2000,
&end
#
# 20 GLU HA 20 GLU HG+ 3.30 (# 464:20 Unique 2.63, 2.82 A)
&rst
ixpk= 464, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 269, 270,
&end
#
# 71 GLU HA 71 GLU HG- 3.20 (# 465:20 Unique 2.07, 2.70 A)
&rst
ixpk= 465, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1023,1024,
&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= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1018,1062, 997,
igr2=1023,1024,1575,1576,1575,1576,
&end
#
# 27 GLU HA 0 AMB 20-1:467 3.50 (# 467:20 Single Ambig)
&rst
ixpk= 467, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 386, 387, 386, 387,
&end
#
# 27 GLU HA 0 AMB 20-1:469 3.50 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:470 28 GLU HG- 3.50 (# 470:20 Single Ambig)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 340, 396,
igr2= 401, 402,
&end
#
# 119 GLU HA 0 AMB 20-1:471 3.50 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1733,1734,1733,1734,
&end
#
# 137 GLU HA 137 GLU HG- 3.30 (# 472:20 Unique 2.02, 2.72 A)
&rst
ixpk= 472, nxpk= 20, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2014,2015,
&end
#
# 0 AMB 20-2:473 0 AMB 20-1:473 2.80 (# 473:20 Double Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 340, 396,1079,
igr2= 401, 402, 401, 402,1084,1085,
&end
#
# 42 GLU HA 42 GLU HG- 3.50 (# 474:20 Unique 2.59, 3.27 A)
&rst
ixpk= 474, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 605, 606,
&end
#
# 24 GLU HA 24 GLU HG- 3.30 (# 475:20 Unique 2.22, 2.90 A)
&rst
ixpk= 475, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:476 0 AMB 20-1:476 2.80 (# 476:20 Double Ambig)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1079, 600,
igr2=1084,1085, 605, 606,
&end
#
# 106 GLU HA 106 GLU HG+ 3.80 (# 477:20 Unique 2.37, 3.38 A)
&rst
ixpk= 477, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1550,1551,
&end
#
# 34 GLU HA 34 GLU HG- 3.50 (# 478:20 Unique 2.45, 3.12 A)
&rst
ixpk= 478, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 481, 482,
&end
#
# 34 GLU HA 34 GLU HG+ 3.50 (# 479:20 Unique 2.45, 3.12 A)
&rst
ixpk= 479, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 3.50 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 136, 137, 136, 137, 202,
igr2= 207, 208, 207, 208, 207, 208,
&end
#
# 76 GLN HA 76 GLN HG- 3.50 (# 482:20 Unique 2.60, 3.13 A)
&rst
ixpk= 482, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 72 ALA HA 76 GLN HG+ 4.50 (# 483:20 Unique 3.29, 3.96 A)
&rst
ixpk= 483, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:484 0 AMB 20-1:484 3.50 (# 484:20 Double Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1776,1668,
igr2=1778,1779,1670,1671,1670,1671,
&end
#
# 71 GLU HA 74 GLN HG- 3.30 (# 485:20 Unique 2.05, 2.81 A)
&rst
ixpk= 485, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1067,1068,
&end
#
# 71 GLU HA 74 GLN HG+ 3.30 (# 486:20 Unique 2.05, 2.81 A)
&rst
ixpk= 486, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1067,1068,
&end
#
# 147 LYS HA 147 LYS HB- 3.00 (# 487:20 Unique 2.36, 2.69 A)
&rst
ixpk= 487, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2179,2180,
&end
#
# 34 GLU HA 34 GLU HB- 3.00 (# 488:20 Unique 2.35, 2.69 A)
&rst
ixpk= 488, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 478, 479,
&end
#
# 34 GLU HA 34 GLU HB+ 3.00 (# 489:20 Unique 2.35, 2.69 A)
&rst
ixpk= 489, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 478, 479,
&end
#
# 78 PRO HA 78 PRO HB- 2.80 (# 490:20 Unique 2.30, 2.51 A)
&rst
ixpk= 490, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1138,1139,
&end
#
# 78 PRO HA 78 PRO HB+ 2.80 (# 491:20 Unique 2.30, 2.51 A)
&rst
ixpk= 491, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:492 0 AMB 20-1:492 4.50 (# 492:20 Double Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 901, 892, 893,
igr2= 898, 899, 898, 899,
&end
#
# 119 GLU HA 119 GLU HB- 3.30 (# 493:20 Unique 2.45, 2.78 A)
&rst
ixpk= 493, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1730,1731,
&end
#
# 110 LYS HA 0 AMB 20-1:494 4.50 (# 494:20 Single Ambig)
&rst
ixpk= 494, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1606,1607,1606,1607,
&end
#
# 0 AMB 20-2:495 0 AMB 20-1:495 3.50 (# 495:20 Double Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1668,1728,
igr2=1606,1607,1606,1607,1730,1731,
&end
#
# 147 LYS HA 143 VAL HB 4.50 (# 496:20 Unique 4.45, 4.54 A)
&rst
ixpk= 496, nxpk= 20, iat=2177,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 PRO HA 0 AMB 20-1:497 3.50 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 553, 554, 553, 554,
&end
#
# 45 PRO HA 45 PRO HB+ 2.80 (# 498:20 Unique 2.30, 2.51 A)
&rst
ixpk= 498, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 651, 652,
&end
#
# 45 PRO HA 45 PRO HB- 2.80 (# 500:20 Unique 2.30, 2.51 A)
&rst
ixpk= 500, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 651, 652,
&end
#
# 6 LEU HA 6 LEU HG 4.00 (# 501:20 Unique 3.63, 3.63 A)
&rst
ixpk= 501, nxpk= 20, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ALA HA 75 GLU HB- 2.80 (# 502:20 Unique 1.97, 2.50 A)
&rst
ixpk= 502, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1081,1082,
&end
#
# 75 GLU HA 75 GLU HB- 3.30 (# 503:20 Unique 2.42, 2.74 A)
&rst
ixpk= 503, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 3.50 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 340,1079,
igr2= 342, 343,1081,1082,
&end
#
# 72 ALA HA 75 GLU HB+ 2.80 (# 505:20 Unique 1.97, 2.50 A)
&rst
ixpk= 505, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1081,1082,
&end
#
# 25 LYS HA 25 LYS HB+ 3.00 (# 506:20 Unique 2.25, 2.80 A)
&rst
ixpk= 506, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 342, 343,
&end
#
# 68 PRO HA 68 PRO HB- 2.80 (# 507:20 Unique 2.30, 2.51 A)
&rst
ixpk= 507, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 968, 969,
&end
#
# 77 LYS HA 0 AMB 20-1:508 3.50 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1113,1114,1113,1114,
&end
#
# 106 GLU HA 106 GLU HB+ 2.80 (# 509:20 Unique 2.23, 2.58 A)
&rst
ixpk= 509, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:510 0 AMB 20-1:510 3.50 (# 510:20 Double Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1062, 997,
igr2=1064,1065,1572,1573,
&end
#
# 136 GLU HA 0 AMB 20-1:511 3.50 (# 511:20 Single Ambig)
&rst
ixpk= 511, nxpk= 20, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1996,1997,1996,1997,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 4.50 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 411,1604,2074,
igr2= 398, 399,1547,1548,2011,2012,
&end
#
# 137 GLU HA 0 AMB 20-1:513 2.80 (# 513:20 Single Ambig)
&rst
ixpk= 513, nxpk= 20, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2011,2012,2011,2012,
&end
#
# 108 GLU HA 108 GLU HB- 3.20 (# 514:20 Unique 2.36, 2.82 A)
&rst
ixpk= 514, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1572,1573,
&end
#
# 108 GLU HA 108 GLU HB+ 3.20 (# 515:20 Unique 2.36, 2.82 A)
&rst
ixpk= 515, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1572,1573,
&end
#
# 74 GLN HA 74 GLN HB+ 2.80 (# 516:20 Unique 2.37, 2.45 A)
&rst
ixpk= 516, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1064,1065,
&end
#
# 94 GLU HA 94 GLU HB+ 3.20 (# 517:20 Unique 2.50, 2.82 A)
&rst
ixpk= 517, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1365,1366,
&end
#
# 94 GLU HA 94 GLU HB- 3.20 (# 518:20 Unique 2.50, 2.82 A)
&rst
ixpk= 518, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1365,1366,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 2.80 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 340, 396,
igr2= 398, 399, 398, 399,
&end
#
# 0 AMB 20-2:520 28 GLU HB- 3.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 340, 396,
igr2= 398, 399,
&end
#
# 68 PRO HA 0 AMB 20-1:521 3.50 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1020,1021,1020,1021,
&end
#
# 71 GLU HA 0 AMB 20-1:522 3.50 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1020,1021,1020,1021,
&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= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 325, 264,
igr2= 327, 328, 266, 267,
&end
#
# 23 ALA HA 6 LEU MDX 4.50 (# 524:20 Unique 2.41, 4.57 A)
&rst
ixpk= 524, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 19 ALA HA 6 LEU MDX 4.50 (# 525:20 Unique 2.43, 4.61 A)
&rst
ixpk= 525, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 20 GLU HA 20 GLU HB+ 3.30 (# 526:20 Unique 2.44, 2.74 A)
&rst
ixpk= 526, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:527 0 AMB 20-1:527 3.50 (# 527:20 Double Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1094,1339,
igr2=1096,1097,1341,1342,
&end
#
# 0 AMB 20-2:528 0 AMB 20-1:528 2.80 (# 528:20 Double Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1094, 600,
igr2=1096,1097, 602, 603, 602, 603,
&end
#
# 0 AMB 20-2:529 0 AMB 20-1:529 4.50 (# 529:20 Double Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1668,1640,
igr2=1676,1677,1676,1677,1119,1120,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 4.50 (# 530:20 Double Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1132,1133, 962, 963,
igr2=1096,1097, 965, 966,
&end
#
# 27 GLU HA 0 AMB 20-1:531 4.50 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 24 GLU HA 0 AMB 20-1:532 3.50 (# 532:20 Single Ambig)
&rst
ixpk= 532, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 383, 384, 383, 384,
&end
#
# 142 TRP HA 142 TRP HB+ 3.30 (# 533:20 Unique 2.52, 2.82 A)
&rst
ixpk= 533, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2087,2088,
&end
#
# 93 ARG HA 93 ARG HG+ 4.00 (# 534:20 Unique 2.46, 3.61 A)
&rst
ixpk= 534, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1344,1345,
&end
#
# 45 PRO HD+ 45 PRO HG+ 2.80 (# 535:20 Unique 2.30, 2.58 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 45 PRO HD+ 45 PRO HG- 2.80 (# 536:20 Unique 2.30, 2.58 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 45 PRO HD- 45 PRO HG+ 2.80 (# 537:20 Unique 2.30, 2.58 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 45 PRO HD- 45 PRO HG- 2.80 (# 538:20 Unique 2.30, 2.58 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:541 0 AMB 20-1:541 3.50 (# 541:20 Double Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1132,1133, 547, 548,1642,1643,
igr2=1135,1136,1135,1136, 550, 551, 550, 551,
&end
#
# 0 AMB 20-2:542 0 AMB 20-1:542 5.50 (# 542:20 Double Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1604,1626,
igr2=1609,1610,1609,1610,1609,1610,
&end
#
# 0 AMB 20-2:543 0 AMB 20-1:543 3.50 (# 543:20 Double Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 340, 581,
igr2= 348, 349, 348, 349, 586,
&end
#
# 0 AMB 20-2:544 105 LEU MDX 7.00 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 971, 919,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HA 105 LEU MDX 4.50 (# 545:20 Unique 1.92, 4.01 A)
&rst
ixpk= 545, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:546 139 LEU MDY 4.50 (# 546:20 Single Ambig)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2048, 296,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 102 ILE HA 105 LEU MDX 4.50 (# 547:20 Unique 1.98, 4.29 A)
&rst
ixpk= 547, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 41 LEU HA 44 LEU MDY 4.50 (# 548:20 Unique 2.75, 5.25 A)
&rst
ixpk= 548, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 23 ALA HA 26 LEU MDX 3.50 (# 549:20 Unique 1.99, 3.98 A)
&rst
ixpk= 549, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 135 ALA HA 121 LEU MDY 3.50 (# 550:20 Unique 2.80, 4.64 A)
&rst
ixpk= 550, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 138 TRP HB+ 121 LEU MDY 4.50 (# 551:20 Unique 2.10, 4.25 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2026,2027,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:552 73 LEU MDX 4.50 (# 552:20 Single Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585, 997,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 138 TRP HB- 121 LEU MDY 4.50 (# 553:20 Unique 2.10, 4.25 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2026,2027,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 118 GLY HA- 145 LEU HG 3.50 (# 554:20 Unique 1.99, 2.93 A)
&rst
ixpk= 554, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1721,1722,
&end
#
# 5 THR HA 6 LEU MDY 4.50 (# 555:20 Unique 3.04, 6.24 A)
&rst
ixpk= 555, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 33 THR HB 6 LEU MDY 3.50 (# 556:20 Unique 1.98, 5.04 A)
&rst
ixpk= 556, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:558 109 LEU MDX 3.50 (# 558:20 Single Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1585,1545,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 66 LEU HA 66 LEU MDY 4.20 (# 559:20 Unique 2.00, 3.75 A)
&rst
ixpk= 559, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 20-2:560 109 LEU MDY 3.50 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1585,1545,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:561 73 LEU MDY 4.50 (# 561:20 Single Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1132,1133,1526,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:562 73 LEU MDY 4.50 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585, 997,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HA 73 LEU MDY 3.50 (# 563:20 Unique 1.99, 3.83 A)
&rst
ixpk= 563, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 99 CYS HA 56 THR MG2 4.50 (# 564:20 Unique 2.87, 4.56 A)
&rst
ixpk= 564, nxpk= 20, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:565 56 THR MG2 3.50 (# 565:20 Single Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 855, 856, 807,
igr2= 811, 812, 813,
&end
#
# 56 THR HB 56 THR MG2 3.20 (# 566:20 Unique 2.23, 2.64 A)
&rst
ixpk= 566, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 811, 812, 813,
&end
#
# 60 GLY HA- 56 THR MG2 4.00 (# 567:20 Unique 1.97, 3.67 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 855, 856,
igr2= 811, 812, 813,
&end
#
# 45 PRO HD+ 44 LEU MDX 4.50 (# 568:20 Unique 1.93, 4.37 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 645, 646,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HA 44 LEU MDX 3.50 (# 569:20 Unique 1.94, 3.14 A)
&rst
ixpk= 569, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 45 PRO HD- 44 LEU MDX 4.50 (# 570:20 Unique 1.93, 4.37 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 645, 646,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:571 0 AMB 20-1:571 3.50 (# 571:20 Double Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1526,1132,1133,
igr2=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
&end
#
# 36 LEU HA 36 LEU MDY 3.50 (# 572:20 Unique 2.09, 3.97 A)
&rst
ixpk= 572, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 41 LEU HA 41 LEU MDY 3.50 (# 573:20 Unique 1.93, 3.60 A)
&rst
ixpk= 573, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 66 LEU HA 66 LEU MDX 3.50 (# 575:20 Unique 2.00, 3.75 A)
&rst
ixpk= 575, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 38 GLY HA- 66 LEU MDX 4.50 (# 576:20 Unique 2.07, 4.73 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 541, 542,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 120 THR HA 120 THR MG2 3.20 (# 577:20 Unique 2.05, 2.84 A)
&rst
ixpk= 577, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1747,1748,1749,
&end
#
# 120 THR HB 120 THR MG2 3.00 (# 578:20 Unique 2.23, 2.64 A)
&rst
ixpk= 578, nxpk= 20, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1747,1748,1749,
&end
#
# 26 LEU HA 26 LEU MDY 3.50 (# 579:20 Unique 2.01, 3.96 A)
&rst
ixpk= 579, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 15 ALA HA 18 VAL MGX 4.20 (# 580:20 Unique 1.98, 3.88 A)
&rst
ixpk= 580, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL HA 18 VAL MGX 3.50 (# 581:20 Unique 2.29, 3.49 A)
&rst
ixpk= 581, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 33 THR HB 33 THR MG2 3.00 (# 583:20 Unique 2.23, 2.64 A)
&rst
ixpk= 583, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 466, 467, 468,
&end
#
# 32 THR HA 32 THR MG2 2.80 (# 584:20 Unique 2.12, 2.86 A)
&rst
ixpk= 584, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 452, 453, 454,
&end
#
# 32 THR HB 32 THR MG2 2.80 (# 585:20 Unique 2.23, 2.64 A)
&rst
ixpk= 585, nxpk= 20, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 452, 453, 454,
&end
#
# 0 AMB 20-2:586 0 AMB 20-1:586 2.80 (# 586:20 Double Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 159, 562,
igr2= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575,
&end
#
# 117 THR HA 117 THR MG2 3.20 (# 588:20 Unique 2.06, 2.84 A)
&rst
ixpk= 588, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1711,1712,1713,
&end
#
# 145 LEU HA 117 THR MG2 4.50 (# 589:20 Unique 4.85, 5.66 A)
&rst
ixpk= 589, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1711,1712,1713,
&end
#
# 117 THR HB 117 THR MG2 3.20 (# 590:20 Unique 2.28, 2.64 A)
&rst
ixpk= 590, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1711,1712,1713,
&end
#
# 0 AMB 20-2:591 0 AMB 20-1:591 3.50 (# 591:20 Double Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1757,1378,
igr2=1764,1765,1766,1768,1769,1770,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:592 51 LEU MDX 4.50 (# 592:20 Single Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 766, 78,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HA 51 LEU MDX 3.50 (# 593:20 Unique 1.98, 3.78 A)
&rst
ixpk= 593, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 86 GLY HA- 51 LEU MDX 4.50 (# 594:20 Unique 1.99, 5.02 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1259,1260,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:595 126 LEU MDX 3.50 (# 595:20 Single Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1330,1331,1850,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 120 THR HA 87 ALA MB 3.80 (# 596:20 Unique 2.10, 3.45 A)
&rst
ixpk= 596, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1268,1269,1270,
&end
#
# 145 LEU HA 145 LEU MDX 3.50 (# 597:20 Unique 1.96, 3.22 A)
&rst
ixpk= 597, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 35 THR HA 35 THR MG2 3.20 (# 599:20 Unique 2.06, 2.86 A)
&rst
ixpk= 599, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 495, 496, 497,
&end
#
# 20 GLU HA 35 THR MG2 4.50 (# 600:20 Unique 3.26, 4.43 A)
&rst
ixpk= 600, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 495, 496, 497,
&end
#
# 35 THR HB 35 THR MG2 3.00 (# 601:20 Unique 2.25, 2.64 A)
&rst
ixpk= 601, nxpk= 20, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 495, 496, 497,
&end
#
# 22 LEU HA 22 LEU MDY 2.80 (# 602:20 Unique 1.99, 3.80 A)
&rst
ixpk= 602, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 5 THR HB 5 THR MG2 3.00 (# 603:20 Unique 2.31, 2.64 A)
&rst
ixpk= 603, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 68, 69, 70,
&end
#
# 4 ILE HA 5 THR MG2 5.50 (# 604:20 Unique 6.03, 6.54 A)
&rst
ixpk= 604, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 68, 69, 70,
&end
#
# 80 LEU HA 80 LEU MDX 4.20 (# 605:20 Unique 1.97, 3.82 A)
&rst
ixpk= 605, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 46 ALA HA 80 LEU MDX 4.00 (# 606:20 Unique 1.90, 3.65 A)
&rst
ixpk= 606, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:608 97 THR MG2 3.50 (# 608:20 Single Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1411,1321,1322,
igr2=1415,1416,1417,
&end
#
# 97 THR HB 97 THR MG2 3.00 (# 609:20 Unique 2.23, 2.64 A)
&rst
ixpk= 609, nxpk= 20, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1415,1416,1417,
&end
#
# 0 AMB 20-2:610 97 THR MG2 4.50 (# 610:20 Single Ambig)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 838, 839, 845,
igr2=1415,1416,1417,
&end
#
# 11 THR HA 11 THR MG2 3.50 (# 612:20 Unique 2.00, 3.04 A)
&rst
ixpk= 612, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 149, 150, 151,
&end
#
# 11 THR HB 11 THR MG2 3.00 (# 613:20 Unique 2.23, 2.64 A)
&rst
ixpk= 613, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 149, 150, 151,
&end
#
# 15 ALA HA 18 VAL MGY 4.20 (# 614:20 Unique 1.98, 3.88 A)
&rst
ixpk= 614, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL HA 18 VAL MGY 4.00 (# 615:20 Unique 2.29, 3.49 A)
&rst
ixpk= 615, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 52 VAL HA 52 VAL MGX 3.50 (# 616:20 Unique 2.18, 3.45 A)
&rst
ixpk= 616, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 47 SER HA 83 VAL MGY 3.50 (# 617:20 Unique 1.98, 4.20 A)
&rst
ixpk= 617, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 146 LEU HA 146 LEU MDX 3.50 (# 618:20 Unique 3.60, 4.72 A)
&rst
ixpk= 618, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 80 LEU HA 83 VAL MGY 4.50 (# 619:20 Unique 1.95, 4.92 A)
&rst
ixpk= 619, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:621 101 ALA MB 3.50 (# 621:20 Single Ambig)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 855, 856, 807,
igr2=1465,1466,1467,
&end
#
# 62 ILE HA 101 ALA MB 4.50 (# 622:20 Unique 3.09, 4.20 A)
&rst
ixpk= 622, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1465,1466,1467,
&end
#
# 101 ALA HA 101 ALA MB 3.00 (# 623:20 Unique 2.22, 2.63 A)
&rst
ixpk= 623, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1465,1466,1467,
&end
#
# 72 ALA HA 72 ALA MB 2.80 (# 624:20 Unique 2.25, 2.63 A)
&rst
ixpk= 624, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1035,1036,1037,
&end
#
# 32 THR HB 2 ALA MB 4.00 (# 626:20 Unique 2.09, 3.50 A)
&rst
ixpk= 626, nxpk= 20, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 25, 26, 27,
&end
#
# 2 ALA HA 2 ALA MB 3.00 (# 627:20 Unique 2.23, 2.63 A)
&rst
ixpk= 627, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 25, 26, 27,
&end
#
# 49 ILE HA 49 ILE MG2 3.50 (# 628:20 Unique 2.18, 2.98 A)
&rst
ixpk= 628, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 692, 693, 694,
&end
#
# 125 ILE HA 125 ILE MG2 3.50 (# 629:20 Unique 2.18, 3.52 A)
&rst
ixpk= 629, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1835,1836,1837,
&end
#
# 114 ALA HA 114 ALA MB 2.80 (# 630:20 Unique 2.22, 2.63 A)
&rst
ixpk= 630, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1660,1661,1662,
&end
#
# 83 VAL HA 83 VAL MGX 3.50 (# 631:20 Unique 2.31, 3.11 A)
&rst
ixpk= 631, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:632 90 ILE MG2 4.50 (# 632:20 Single Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1302,1321,1322,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:635 15 ALA MB 4.50 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 798, 799, 798, 799,
igr2= 194, 195, 196,
&end
#
# 0 AMB 20-2:636 0 AMB 20-1:636 2.80 (# 636:20 Double Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 192, 254,
igr2= 194, 195, 196, 256, 257, 258,
&end
#
# 0 AMB 20-2:637 0 AMB 20-1:637 3.50 (# 637:20 Double Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 136, 137, 202,
igr2= 194, 195, 196, 256, 257, 258,
&end
#
# 29 ALA HA 29 ALA MB 2.80 (# 638:20 Unique 2.22, 2.63 A)
&rst
ixpk= 638, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 413, 414, 415,
&end
#
# 26 LEU HA 29 ALA MB 3.50 (# 639:20 Unique 2.71, 3.97 A)
&rst
ixpk= 639, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 413, 414, 415,
&end
#
# 82 ALA HA 82 ALA MB 2.80 (# 640:20 Unique 2.22, 2.63 A)
&rst
ixpk= 640, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1191,1192,1193,
&end
#
# 47 SER HA 82 ALA MB 3.50 (# 641:20 Unique 2.60, 3.94 A)
&rst
ixpk= 641, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:642 82 ALA MB 2.80 (# 642:20 Single Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 672, 673, 672, 673,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:643 0 AMB 20-1:643 4.50 (# 643:20 Double Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 134, 491,
igr2= 194, 195, 196, 256, 257, 258,
&end
#
# 135 ALA HA 135 ALA MB 3.00 (# 644:20 Unique 2.22, 2.63 A)
&rst
ixpk= 644, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1986,1987,1988,
&end
#
# 22 LEU HA 135 ALA MB 4.50 (# 645:20 Unique 4.39, 5.42 A)
&rst
ixpk= 645, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1986,1987,1988,
&end
#
# 130 ILE HA 130 ILE MG2 3.50 (# 646:20 Unique 2.14, 3.32 A)
&rst
ixpk= 646, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:647 107 ALA MB 2.80 (# 647:20 Single Ambig)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1504,1560,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:648 0 AMB 20-1:648 2.80 (# 648:20 Double Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 192, 254,
igr2= 194, 195, 196, 256, 257, 258,
&end
#
# 0 AMB 20-2:649 0 AMB 20-1:649 5.50 (# 649:20 Double Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 118, 119, 238,
igr2= 256, 257, 258, 194, 195, 196,
&end
#
# 23 ALA HA 23 ALA MB 2.80 (# 651:20 Unique 2.22, 2.63 A)
&rst
ixpk= 651, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 317, 318, 319,
&end
#
# 80 LEU HA 46 ALA MB 3.50 (# 652:20 Unique 1.97, 3.19 A)
&rst
ixpk= 652, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 662, 663, 664,
&end
#
# 46 ALA HA 46 ALA MB 2.80 (# 653:20 Unique 2.22, 2.63 A)
&rst
ixpk= 653, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 662, 663, 664,
&end
#
# 4 ILE HA 4 ILE MG2 3.30 (# 654:20 Unique 2.21, 2.89 A)
&rst
ixpk= 654, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 49, 50, 51,
&end
#
# 59 ALA HA 59 ALA MB 2.80 (# 655:20 Unique 2.22, 2.63 A)
&rst
ixpk= 655, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 847, 848, 849,
&end
#
# 15 ALA HA 53 ILE MG2 4.20 (# 656:20 Unique 2.76, 3.80 A)
&rst
ixpk= 656, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 770, 771, 772,
&end
#
# 67 SER HA 62 ILE MG2 4.50 (# 657:20 Unique 1.99, 4.39 A)
&rst
ixpk= 657, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 878, 879, 880,
&end
#
# 62 ILE HA 62 ILE MG2 3.30 (# 658:20 Unique 1.93, 2.81 A)
&rst
ixpk= 658, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 878, 879, 880,
&end
#
# 63 PRO HD- 62 ILE MG2 3.80 (# 659:20 Unique 1.96, 3.32 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 892, 893,
igr2= 878, 879, 880,
&end
#
# 53 ILE HA 53 ILE MG2 3.50 (# 660:20 Unique 2.24, 3.04 A)
&rst
ixpk= 660, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 770, 771, 772,
&end
#
# 7 ILE HA 7 ILE MG2 3.50 (# 661:20 Unique 2.49, 3.21 A)
&rst
ixpk= 661, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 101, 102, 103,
&end
#
# 123 ILE HA 123 ILE MG2 3.50 (# 663:20 Unique 2.22, 3.08 A)
&rst
ixpk= 663, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1802,1803,1804,
&end
#
# 19 ALA HA 53 ILE MD1 3.50 (# 664:20 Unique 2.06, 3.38 A)
&rst
ixpk= 664, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 777, 778, 779,
&end
#
# 88 ILE HA 88 ILE MG2 3.50 (# 665:20 Unique 2.26, 3.19 A)
&rst
ixpk= 665, nxpk= 20, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1280,1281,1282,
&end
#
# 102 ILE HA 102 ILE MD1 3.50 (# 666:20 Unique 1.98, 3.29 A)
&rst
ixpk= 666, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1484,1485,1486,
&end
#
# 0 AMB 20-2:667 125 ILE MD1 4.50 (# 667:20 Single Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 178, 179,1831,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:668 90 ILE MD1 4.50 (# 668:20 Single Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 192, 185, 186,
igr2=1313,1314,1315,
&end
#
# 4 ILE HA 49 ILE MD1 4.50 (# 669:20 Unique 4.38, 5.69 A)
&rst
ixpk= 669, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 699, 700, 701,
&end
#
# 123 ILE HA 123 ILE MD1 4.00 (# 670:20 Unique 2.00, 3.56 A)
&rst
ixpk= 670, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1809,1810,1811,
&end
#
# 4 ILE HA 4 ILE MD1 4.50 (# 671:20 Unique 4.03, 4.61 A)
&rst
ixpk= 671, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 56, 57, 58,
&end
#
# 67 SER HA 62 ILE MD1 3.30 (# 672:20 Unique 1.99, 2.85 A)
&rst
ixpk= 672, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 885, 886, 887,
&end
#
# 101 ALA HA 62 ILE MD1 4.50 (# 673:20 Unique 2.62, 4.77 A)
&rst
ixpk= 673, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 885, 886, 887,
&end
#
# 70 TYR HB+ 62 ILE MD1 4.50 (# 674:20 Unique 3.67, 4.54 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 999,1000,
igr2= 885, 886, 887,
&end
#
# 33 THR MG2 33 THR HB 3.00 (# 675:20 Unique 2.23, 2.64 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 466, 467, 468,
&end
#
# 6 LEU MDY 33 THR HB 3.50 (# 676:20 Unique 1.98, 5.04 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 32 THR MG2 32 THR HB 2.80 (# 677:20 Unique 2.23, 2.64 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 452, 453, 454,
&end
#
# 117 THR MG2 117 THR HB 2.80 (# 678:20 Unique 2.28, 2.64 A)
&rst
ixpk= 678, nxpk= 20, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1711,1712,1713,
&end
#
# 56 THR MG2 56 THR HB 3.00 (# 679:20 Unique 2.23, 2.64 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 811, 812, 813,
&end
#
# 5 THR MG2 5 THR HB 3.00 (# 680:20 Unique 2.31, 2.64 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 68, 69, 70,
&end
#
# 120 THR MG2 120 THR HB 2.80 (# 681:20 Unique 2.23, 2.64 A)
&rst
ixpk= 681, nxpk= 20, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1747,1748,1749,
&end
#
# 35 THR MG2 35 THR HB 2.80 (# 682:20 Unique 2.25, 2.64 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 495, 496, 497,
&end
#
# 11 THR MG2 11 THR HB 3.00 (# 683:20 Unique 2.23, 2.64 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 149, 150, 151,
&end
#
# 97 THR MG2 97 THR HB 3.00 (# 684:20 Unique 2.23, 2.64 A)
&rst
ixpk= 684, nxpk= 20, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1415,1416,1417,
&end
#
# 18 VAL MGX 18 VAL HA 3.50 (# 685:20 Unique 2.29, 3.49 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL MGY 18 VAL HA 3.50 (# 686:20 Unique 2.29, 3.49 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 15 ALA MB 10 SER HB+ 4.00 (# 687:20 Unique 1.99, 3.48 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 194, 195, 196,
igr2= 136, 137,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 4.50 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 256, 257, 258, 507, 508, 194, 195, 196,
igr2= 118, 119, 118, 119, 118, 119,
&end
#
# 0 AMB 20-2:689 0 AMB 20-1:689 4.50 (# 689:20 Double Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 256, 257, 258, 507, 508, 194, 195, 196,
igr2= 118, 119, 238,
&end
#
# 0 AMB 20-2:690 68 PRO HA 3.50 (# 690:20 Single Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1023,1024, 968, 969,
&end
#
# 0 AMB 20-2:691 68 PRO HA 2.80 (# 691:20 Single Ambig)
&rst
ixpk= 691, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 968, 969,1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:692 54 SER HB- 3.50 (# 692:20 Single Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486,
igr2= 787, 788,
&end
#
# 0 AMB 20-2:694 0 AMB 20-1:694 3.50 (# 694:20 Double Ambig)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486,
igr2= 787, 788, 787, 788,
&end
#
# 11 THR MG2 11 THR HA 3.50 (# 695:20 Unique 2.00, 3.04 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 149, 150, 151,
&end
#
# 143 VAL HB 143 VAL HA 2.80 (# 696:20 Unique 2.47, 2.51 A)
&rst
ixpk= 696, nxpk= 20, iat=2111,2109, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:697 143 VAL HA 3.50 (# 697:20 Single Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 146 LEU HG 143 VAL HA 2.80 (# 698:20 Unique 1.99, 2.43 A)
&rst
ixpk= 698, nxpk= 20, iat=2163,2109, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU MDY 143 VAL HA 3.50 (# 699:20 Unique 1.99, 3.75 A)
&rst
ixpk= 699, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 82 ALA MB 47 SER HB- 3.50 (# 701:20 Unique 3.01, 4.35 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1191,1192,1193,
igr2= 672, 673,
&end
#
# 82 ALA MB 47 SER HB+ 3.50 (# 702:20 Unique 3.01, 4.35 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1191,1192,1193,
igr2= 672, 673,
&end
#
# 80 LEU MDY 112 SER HB+ 4.50 (# 706:20 Unique 2.43, 5.02 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1642,1643,
&end
#
# 80 LEU MDY 112 SER HB- 4.50 (# 707:20 Unique 2.43, 5.02 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1642,1643,
&end
#
# 70 TYR HB+ 67 SER HA 4.50 (# 708:20 Unique 3.34, 3.98 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 70 TYR HB- 67 SER HA 4.50 (# 709:20 Unique 3.34, 3.98 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 3.50 (# 710:20 Double Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 878, 879, 880,1747,1748,1749,
igr2= 952,1743,
&end
#
# 63 PRO HB+ 63 PRO HA 2.80 (# 711:20 Unique 2.30, 2.51 A)
&rst
ixpk= 711, nxpk= 20, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 898, 899,
&end
#
# 87 ALA MB 120 THR HA 4.00 (# 712:20 Unique 2.10, 3.45 A)
&rst
ixpk= 712, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1268,1269,1270,
&end
#
# 101 ALA MB 56 THR HA 4.30 (# 713:20 Unique 2.35, 3.76 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1465,1466,1467,
&end
#
# 63 PRO HB- 63 PRO HA 2.80 (# 714:20 Unique 2.30, 2.51 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 898, 899,
&end
#
# 0 AMB 20-2:715 39 PRO HA 3.50 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 553, 554, 553, 554,
&end
#
# 125 ILE HB 125 ILE HA 2.80 (# 716:20 Unique 2.37, 2.44 A)
&rst
ixpk= 716, nxpk= 20, iat=1833,1831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 ILE MG2 125 ILE HA 3.50 (# 717:20 Unique 2.18, 3.52 A)
&rst
ixpk= 717, nxpk= 20, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1835,1836,1837,
&end
#
# 0 AMB 20-2:718 125 ILE HA 5.50 (# 718:20 Single Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1842,1843,1844,1306,1307,1308,
&end
#
# 6 LEU HB- 35 THR HA 3.30 (# 719:20 Unique 1.99, 2.71 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:720 0 AMB 20-1:720 3.50 (# 720:20 Double Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1138,1139,1217,1218,
igr2=1141,1707,
&end
#
# 142 TRP HB+ 142 TRP HA 3.30 (# 721:20 Unique 2.52, 2.82 A)
&rst
ixpk= 721, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2087,2088,
&end
#
# 0 AMB 20-2:722 142 TRP HA 3.50 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2144,1711,1712,1713,
&end
#
# 35 THR MG2 35 THR HA 3.30 (# 723:20 Unique 2.06, 2.86 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 495, 496, 497,
&end
#
# 78 PRO HB- 78 PRO HA 2.80 (# 724:20 Unique 2.30, 2.51 A)
&rst
ixpk= 724, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1138,1139,
&end
#
# 117 THR MG2 117 THR HA 3.50 (# 725:20 Unique 2.06, 2.84 A)
&rst
ixpk= 725, nxpk= 20, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1711,1712,1713,
&end
#
# 6 LEU HB+ 35 THR HA 3.30 (# 726:20 Unique 1.99, 2.71 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 80, 81,
&end
#
# 83 VAL MGY 83 VAL HA 3.50 (# 727:20 Unique 2.31, 3.11 A)
&rst
ixpk= 727, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL MGX 83 VAL HA 3.50 (# 728:20 Unique 2.31, 3.11 A)
&rst
ixpk= 728, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 7 ILE HB 52 VAL HA 2.50 (# 729:20 Unique 1.92, 1.97 A)
&rst
ixpk= 729, nxpk= 20, iat= 99, 750, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 52 VAL MGX 52 VAL HA 4.00 (# 730:20 Unique 2.18, 3.45 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL MGY 52 VAL HA 3.50 (# 731:20 Unique 2.18, 3.45 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:732 123 ILE HA 4.50 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1809,1810,1811,1806,1807,
&end
#
# 123 ILE MG2 123 ILE HA 3.50 (# 733:20 Unique 2.22, 3.08 A)
&rst
ixpk= 733, nxpk= 20, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1802,1803,1804,
&end
#
# 0 AMB 20-2:734 17 TYR HA 3.50 (# 734:20 Single Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 219, 220, 219, 220,
&end
#
# 0 AMB 20-2:735 17 TYR HA 4.50 (# 735:20 Single Ambig)
&rst
ixpk= 735, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:736 69 PHE HA 4.50 (# 736:20 Single Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1035,1036,1037, 564, 565,
&end
#
# 70 TYR HB+ 70 TYR HA 3.20 (# 737:20 Unique 2.32, 2.70 A)
&rst
ixpk= 737, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 999,1000,
&end
#
# 70 TYR HB- 70 TYR HA 3.20 (# 738:20 Unique 2.32, 2.70 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 999,1000,
&end
#
# 73 LEU MDX 70 TYR HA 4.50 (# 739:20 Unique 2.27, 4.51 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 90 ILE MG2 90 ILE HA 3.50 (# 740:20 Unique 2.19, 3.11 A)
&rst
ixpk= 740, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1306,1307,1308,
&end
#
# 0 AMB 20-2:741 141 SER HA 4.50 (# 741:20 Single Ambig)
&rst
ixpk= 741, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2127,2128,2127,2128,
&end
#
# 136 GLU HG- 136 GLU HA 3.20 (# 742:20 Unique 2.04, 2.82 A)
&rst
ixpk= 742, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1999,2000,
&end
#
# 0 AMB 20-2:743 110 LYS HA 3.50 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 20-2:744 136 GLU HA 2.80 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1999,2000,1996,1997,1996,1997,
&end
#
# 139 LEU HB- 136 GLU HA 3.50 (# 745:20 Unique 2.75, 3.35 A)
&rst
ixpk= 745, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2050,2051,
&end
#
# 139 LEU HB+ 136 GLU HA 3.80 (# 746:20 Unique 2.75, 3.35 A)
&rst
ixpk= 746, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2050,2051,
&end
#
# 22 LEU MDY 136 GLU HA 4.50 (# 747:20 Unique 4.73, 6.71 A)
&rst
ixpk= 747, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 106 GLU HG+ 106 GLU HA 3.80 (# 748:20 Unique 2.37, 3.38 A)
&rst
ixpk= 748, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1550,1551,
&end
#
# 0 AMB 20-2:749 106 GLU HA 2.80 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1547,1548,1547,1548,
&end
#
# 109 LEU HB- 106 GLU HA 3.30 (# 750:20 Unique 2.07, 2.93 A)
&rst
ixpk= 750, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1587,1588,
&end
#
# 109 LEU MDX 106 GLU HA 4.50 (# 751:20 Unique 2.23, 4.77 A)
&rst
ixpk= 751, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:752 110 LYS HA 4.50 (# 752:20 Single Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1609,1610,1609,1610,
&end
#
# 7 ILE MG2 7 ILE HA 3.60 (# 753:20 Unique 2.49, 3.21 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 101, 102, 103,
&end
#
# 88 ILE MG2 88 ILE HA 3.50 (# 754:20 Unique 2.26, 3.19 A)
&rst
ixpk= 754, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1280,1281,1282,
&end
#
# 0 AMB 20-2:755 104 LYS HA 3.50 (# 755:20 Single Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:756 104 LYS HA 4.50 (# 756:20 Single Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1509,1510,1509,1510,
&end
#
# 107 ALA MB 104 LYS HA 3.80 (# 757:20 Unique 2.10, 3.36 A)
&rst
ixpk= 757, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1562,1563,1564,
&end
#
# 20 GLU HG- 20 GLU HA 3.20 (# 758:20 Unique 2.63, 2.82 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 269, 270,
&end
#
# 0 AMB 20-2:759 0 AMB 20-1:759 3.50 (# 759:20 Double Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 330, 331, 269, 270,
igr2= 325, 264,
&end
#
# 23 ALA MB 20 GLU HA 3.50 (# 760:20 Unique 2.06, 3.38 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 317, 318, 319,
&end
#
# 0 AMB 20-2:761 137 GLU HA 2.80 (# 761:20 Single Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2011,2012,2011,2012,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 2.80 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 327, 328, 266, 267, 266, 267,
igr2= 325, 264,
&end
#
# 21 HIS HB- 21 HIS HA 3.30 (# 763:20 Unique 2.40, 2.79 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 281, 282,
&end
#
# 105 LEU HB- 102 ILE HA 4.20 (# 764:20 Unique 2.63, 3.86 A)
&rst
ixpk= 764, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1528,1529,
&end
#
# 102 ILE HG1- 102 ILE HA 3.80 (# 765:20 Unique 2.24, 3.24 A)
&rst
ixpk= 765, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1481,1482,
&end
#
# 0 AMB 20-2:766 102 ILE HA 2.80 (# 766:20 Single Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486,
&end
#
# 137 GLU HG- 137 GLU HA 3.30 (# 767:20 Unique 2.02, 2.72 A)
&rst
ixpk= 767, nxpk= 20, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2014,2015,
&end
#
# 0 AMB 20-2:768 16 GLU HA 4.50 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 207, 208, 207, 208,
&end
#
# 0 AMB 20-2:769 16 GLU HA 3.50 (# 769:20 Single Ambig)
&rst
ixpk= 769, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 256, 257, 258, 194, 195, 196,
&end
#
# 16 GLU HB- 16 GLU HA 3.30 (# 770:20 Unique 2.35, 2.70 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 204, 205,
&end
#
# 97 THR MG2 97 THR HA 2.80 (# 771:20 Unique 2.22, 3.23 A)
&rst
ixpk= 771, nxpk= 20, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1415,1416,1417,
&end
#
# 0 AMB 20-2:772 28 GLU HA 4.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 401, 402, 386, 387,
&end
#
# 0 AMB 20-2:773 28 GLU HA 2.80 (# 773:20 Single Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 401, 402, 398, 399,
&end
#
# 28 GLU HB+ 28 GLU HA 2.80 (# 774:20 Unique 2.44, 2.79 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 398, 399,
&end
#
# 0 AMB 20-2:775 71 GLU HA 2.80 (# 775:20 Single Ambig)
&rst
ixpk= 775, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:776 0 AMB 20-1:776 3.50 (# 776:20 Double Ambig)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1465,1466,1467,1509,1510,1509,1510, 895, 896,
igr2= 874,1526,
&end
#
# 71 GLU HG- 71 GLU HA 3.30 (# 777:20 Unique 2.07, 2.70 A)
&rst
ixpk= 777, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1023,1024,
&end
#
# 0 AMB 20-2:778 0 AMB 20-1:778 3.50 (# 778:20 Double Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1023,1024,1575,1576,1575,1576,
igr2=1018,1062,
&end
#
# 0 AMB 20-2:779 0 AMB 20-1:779 4.50 (# 779:20 Double Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1533,1534,1535,1537,1538,1539, 882, 883,
igr2=1526, 874,
&end
#
# 0 AMB 20-2:780 105 LEU HA 4.50 (# 780:20 Single Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1531,1045,1046,
&end
#
# 0 AMB 20-2:781 0 AMB 20-1:781 2.80 (# 781:20 Double Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1067,1068,1064,1065,
igr2=1018,1062,
&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= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1067,1068,1064,1065,1113,1114,1113,1114,
igr2=1018,1062,
&end
#
# 41 LEU HG 41 LEU HA 3.80 (# 783:20 Unique 2.61, 2.91 A)
&rst
ixpk= 783, nxpk= 20, iat= 586, 581, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 LEU HB+ 41 LEU HA 3.30 (# 784:20 Unique 2.46, 2.82 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 583, 584,
&end
#
# 0 AMB 20-2:785 41 LEU HA 4.50 (# 785:20 Single Ambig)
&rst
ixpk= 785, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 629, 630, 583, 584,
&end
#
# 41 LEU MDY 41 LEU HA 3.50 (# 786:20 Unique 1.93, 3.60 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 44 LEU MDY 41 LEU HA 4.50 (# 787:20 Unique 2.75, 5.25 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 105 LEU HB+ 105 LEU HA 3.00 (# 788:20 Unique 2.32, 2.69 A)
&rst
ixpk= 788, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1528,1529,
&end
#
# 105 LEU MDY 105 LEU HA 4.50 (# 789:20 Unique 1.92, 4.01 A)
&rst
ixpk= 789, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 109 LEU HG 109 LEU HA 3.00 (# 790:20 Unique 2.59, 2.68 A)
&rst
ixpk= 790, nxpk= 20, iat=1590,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:791 109 LEU HA 3.50 (# 791:20 Single Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1592,1593,1594,1596,1597,1598,1166,1167,1168,1170,
1171,1172,
&end
#
# 109 LEU HB+ 109 LEU HA 3.20 (# 792:20 Unique 2.66, 2.83 A)
&rst
ixpk= 792, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1587,1588,
&end
#
# 73 LEU HB+ 73 LEU HA 3.20 (# 793:20 Unique 2.56, 2.81 A)
&rst
ixpk= 793, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1045,1046,
&end
#
# 26 LEU HG 26 LEU HA 3.50 (# 794:20 Unique 2.68, 2.94 A)
&rst
ixpk= 794, nxpk= 20, iat= 367, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:795 26 LEU HA 4.50 (# 795:20 Single Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 364, 365, 345, 346,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 2.80 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 364, 365, 605, 606, 605, 606,
igr2= 362, 600,
&end
#
# 0 AMB 20-2:797 42 GLU HA 2.80 (# 797:20 Single Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 602, 603, 602, 603,
&end
#
# 0 AMB 20-2:798 26 LEU HA 3.50 (# 798:20 Single Ambig)
&rst
ixpk= 798, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 413, 414, 415, 342, 343,
&end
#
# 75 GLU HG- 75 GLU HA 3.50 (# 799:20 Unique 2.46, 3.14 A)
&rst
ixpk= 799, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 0 AMB 20-2:800 75 GLU HA 2.80 (# 800:20 Single Ambig)
&rst
ixpk= 800, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1081,1082,1081,1082,
&end
#
# 41 LEU MDX 73 LEU HA 4.20 (# 801:20 Unique 1.97, 3.85 A)
&rst
ixpk= 801, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDY 73 LEU HA 3.50 (# 802:20 Unique 1.99, 3.83 A)
&rst
ixpk= 802, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 26 LEU MDY 26 LEU HA 3.50 (# 803:20 Unique 2.01, 3.96 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 94 GLU HB+ 94 GLU HA 3.30 (# 805:20 Unique 2.50, 2.82 A)
&rst
ixpk= 805, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1365,1366,
&end
#
# 94 GLU HB- 94 GLU HA 3.30 (# 806:20 Unique 2.50, 2.82 A)
&rst
ixpk= 806, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1365,1366,
&end
#
# 0 AMB 20-2:807 130 ILE HA 3.50 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1914,1915,1916,1802,1803,1804,
&end
#
# 111 ASN HB- 108 GLU HA 2.80 (# 808:20 Unique 1.89, 2.41 A)
&rst
ixpk= 808, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1628,1629,
&end
#
# 108 GLU HB- 108 GLU HA 3.30 (# 809:20 Unique 2.36, 2.82 A)
&rst
ixpk= 809, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1572,1573,
&end
#
# 108 GLU HB+ 108 GLU HA 3.30 (# 810:20 Unique 2.36, 2.82 A)
&rst
ixpk= 810, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1572,1573,
&end
#
# 147 LYS HB+ 147 LYS HA 3.00 (# 811:20 Unique 2.36, 2.69 A)
&rst
ixpk= 811, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2179,2180,
&end
#
# 0 AMB 20-2:812 139 LEU HA 3.50 (# 812:20 Single Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2050,2051,2053,
&end
#
# 147 LYS HB- 147 LYS HA 3.00 (# 813:20 Unique 2.36, 2.69 A)
&rst
ixpk= 813, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2179,2180,
&end
#
# 3 ASP HB+ 3 ASP HA 3.20 (# 814:20 Unique 2.47, 2.82 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 35, 36,
&end
#
# 64 ASP HB- 64 ASP HA 3.20 (# 815:20 Unique 2.39, 2.77 A)
&rst
ixpk= 815, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 909, 910,
&end
#
# 64 ASP HB+ 64 ASP HA 3.20 (# 816:20 Unique 2.39, 2.77 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 909, 910,
&end
#
# 93 ARG HG+ 93 ARG HA 4.00 (# 817:20 Unique 2.46, 3.61 A)
&rst
ixpk= 817, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1344,1345,
&end
#
# 103 ASP HB+ 103 ASP HA 3.30 (# 818:20 Unique 2.37, 2.80 A)
&rst
ixpk= 818, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1494,1495,
&end
#
# 0 AMB 20-2:819 103 ASP HA 3.50 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1547,1548,1547,1548,
&end
#
# 0 AMB 20-2:820 93 ARG HA 4.50 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1347,1348,1347,1348,
&end
#
# 93 ARG HB- 93 ARG HA 2.80 (# 821:20 Unique 2.35, 2.54 A)
&rst
ixpk= 821, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1341,1342,
&end
#
# 93 ARG HG- 93 ARG HA 4.00 (# 822:20 Unique 2.46, 3.61 A)
&rst
ixpk= 822, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1344,1345,
&end
#
# 0 AMB 20-2:823 22 LEU HA 4.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 298, 299, 342, 343,
&end
#
# 22 LEU HB- 22 LEU HA 3.20 (# 824:20 Unique 2.33, 2.73 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 298, 299,
&end
#
# 22 LEU MDY 22 LEU HA 3.50 (# 825:20 Unique 1.99, 3.80 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:826 103 ASP HA 4.50 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1477,1478,1479,1481,1482,
&end
#
# 93 ARG HB+ 93 ARG HA 2.80 (# 828:20 Unique 2.35, 2.54 A)
&rst
ixpk= 828, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1341,1342,
&end
#
# 25 LYS HB+ 25 LYS HA 3.30 (# 829:20 Unique 2.25, 2.80 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 342, 343,
&end
#
# 0 AMB 20-2:830 76 GLN HA 2.80 (# 830:20 Single Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1099,1100,1099,1100,
&end
#
# 76 GLN HB- 76 GLN HA 3.00 (# 831:20 Unique 2.28, 2.66 A)
&rst
ixpk= 831, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1096,1097,
&end
#
# 76 GLN HB+ 76 GLN HA 3.00 (# 832:20 Unique 2.28, 2.66 A)
&rst
ixpk= 832, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1096,1097,
&end
#
# 0 AMB 20-2:833 25 LYS HA 3.50 (# 833:20 Single Ambig)
&rst
ixpk= 833, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 348, 349, 348, 349,
&end
#
# 95 TYR HB- 95 TYR HA 3.30 (# 834:20 Unique 2.33, 2.81 A)
&rst
ixpk= 834, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1380,1381,
&end
#
# 83 VAL MGY 47 SER HA 3.50 (# 835:20 Unique 1.98, 4.20 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 82 ALA MB 47 SER HA 3.50 (# 837:20 Unique 2.60, 3.94 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1191,1192,1193,
&end
#
# 0 AMB 20-2:838 96 ASP HA 2.80 (# 838:20 Single Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1401,1402,1401,1402,
&end
#
# 77 LYS HG- 77 LYS HA 3.50 (# 839:20 Unique 2.42, 3.07 A)
&rst
ixpk= 839, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1116,1117,
&end
#
# 78 PRO HD+ 77 LYS HA 2.80 (# 840:20 Unique 1.96, 2.41 A)
&rst
ixpk= 840, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1132,1133,
&end
#
# 0 AMB 20-2:841 77 LYS HA 3.50 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1113,1114,1113,1114,
&end
#
# 0 AMB 20-2:842 126 LEU HA 3.50 (# 842:20 Single Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
&end
#
# 26 LEU HB- 23 ALA HA 3.50 (# 843:20 Unique 2.16, 3.20 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 364, 365,
&end
#
# 23 ALA MB 23 ALA HA 2.80 (# 844:20 Unique 2.22, 2.63 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 317, 318, 319,
&end
#
# 0 AMB 20-2:845 23 ALA HA 3.50 (# 845:20 Single Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 364, 365, 466, 467, 468,
&end
#
# 0 AMB 20-2:846 23 ALA HA 2.80 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 369, 370, 371, 373, 374, 375, 85, 86, 87, 89,
90, 91,
&end
#
# 34 GLU HG- 34 GLU HA 3.50 (# 847:20 Unique 2.45, 3.12 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 481, 482,
&end
#
# 0 AMB 20-2:848 0 AMB 20-1:848 3.50 (# 848:20 Double Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 478, 479,1612,1613,
igr2= 476,1626,
&end
#
# 116 GLN HG+ 116 GLN HA 3.50 (# 849:20 Unique 2.09, 3.08 A)
&rst
ixpk= 849, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1695,1696,
&end
#
# 111 ASN HB+ 111 ASN HA 2.80 (# 850:20 Unique 2.57, 2.82 A)
&rst
ixpk= 850, nxpk= 20, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1628,1629,
&end
#
# 19 ALA MB 19 ALA HA 2.80 (# 851:20 Unique 2.26, 2.63 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 256, 257, 258,
&end
#
# 6 LEU MDX 19 ALA HA 3.50 (# 852:20 Unique 2.43, 4.61 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:853 19 ALA HA 2.80 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 777, 778, 779, 303, 304, 305, 307, 308, 309, 242,
243, 244, 246, 247, 248,
&end
#
# 116 GLN HB+ 116 GLN HA 3.20 (# 854:20 Unique 2.35, 2.77 A)
&rst
ixpk= 854, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1692,1693,
&end
#
# 0 AMB 20-2:855 129 ASP HA 2.80 (# 855:20 Single Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1900,1901,1900,1901,
&end
#
# 145 LEU MDX 145 LEU HA 3.50 (# 856:20 Unique 1.96, 3.22 A)
&rst
ixpk= 856, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 20-2:857 43 ASP HA 2.80 (# 857:20 Single Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 617, 618, 617, 618,
&end
#
# 0 AMB 20-2:858 144 ASN HA 2.80 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2127,2128,2127,2128,
&end
#
# 76 GLN HG+ 72 ALA HA 4.50 (# 859:20 Unique 3.29, 3.96 A)
&rst
ixpk= 859, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1099,1100,
&end
#
# 145 LEU HB- 145 LEU HA 3.30 (# 860:20 Unique 2.42, 2.79 A)
&rst
ixpk= 860, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2141,2142,
&end
#
# 145 LEU HB+ 145 LEU HA 3.30 (# 861:20 Unique 2.42, 2.79 A)
&rst
ixpk= 861, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2141,2142,
&end
#
# 0 AMB 20-2:862 107 ALA HA 3.50 (# 862:20 Single Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1606,1607,1606,1607,
&end
#
# 107 ALA MB 107 ALA HA 2.80 (# 863:20 Unique 2.22, 2.63 A)
&rst
ixpk= 863, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1562,1563,1564,
&end
#
# 101 ALA MB 101 ALA HA 2.80 (# 864:20 Unique 2.22, 2.63 A)
&rst
ixpk= 864, nxpk= 20, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1465,1466,1467,
&end
#
# 0 AMB 20-2:865 72 ALA HA 3.50 (# 865:20 Single Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1081,1082,1081,1082,
&end
#
# 72 ALA MB 72 ALA HA 2.80 (# 866:20 Unique 2.25, 2.63 A)
&rst
ixpk= 866, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 117 THR MG2 146 LEU HA 3.50 (# 867:20 Unique 2.28, 3.01 A)
&rst
ixpk= 867, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1711,1712,1713,
&end
#
# 0 AMB 20-2:868 146 LEU HA 3.50 (# 868:20 Single Ambig)
&rst
ixpk= 868, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2160,2161,1220,1221,
&end
#
# 146 LEU HB+ 146 LEU HA 3.50 (# 869:20 Unique 2.27, 2.45 A)
&rst
ixpk= 869, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HA 3.50 (# 870:20 Unique 3.60, 4.72 A)
&rst
ixpk= 870, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 135 ALA MB 135 ALA HA 3.00 (# 871:20 Unique 2.22, 2.63 A)
&rst
ixpk= 871, nxpk= 20, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1986,1987,1988,
&end
#
# 0 AMB 20-2:872 0 AMB 20-1:872 2.80 (# 872:20 Double Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 194, 195, 196,1512,1513,
igr2= 192,1463,
&end
#
# 65 ASN HB+ 65 ASN HA 3.30 (# 873:20 Unique 2.26, 2.82 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 921, 922,
&end
#
# 65 ASN HB- 65 ASN HA 3.30 (# 874:20 Unique 2.26, 2.82 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 921, 922,
&end
#
# 121 LEU MDY 135 ALA HA 3.50 (# 875:20 Unique 2.80, 4.64 A)
&rst
ixpk= 875, nxpk= 20, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 18 VAL HB 15 ALA HA 3.50 (# 876:20 Unique 3.54, 3.59 A)
&rst
ixpk= 876, nxpk= 20, iat= 240, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 VAL MGX 15 ALA HA 4.50 (# 877:20 Unique 1.98, 3.88 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:878 15 ALA HA 3.50 (# 878:20 Single Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243, 244, 246, 247, 248,1313,1314,1315,
&end
#
# 0 AMB 20-2:879 127 ASP HA 3.50 (# 879:20 Single Ambig)
&rst
ixpk= 879, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1871,1872,1871,1872,
&end
#
# 12 LEU MDY 12 LEU HA 3.50 (# 880:20 Unique 2.18, 4.03 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 12 LEU HB- 12 LEU HA 3.00 (# 881:20 Unique 2.22, 2.66 A)
&rst
ixpk= 881, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 161, 162,
&end
#
# 0 AMB 20-2:882 115 LYS HA 2.80 (# 882:20 Single Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1670,1671,1670,1671,
&end
#
# 12 LEU HB+ 12 LEU HA 3.00 (# 883:20 Unique 2.22, 2.66 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 161, 162,
&end
#
# 0 AMB 20-2:884 61 ASP HA 3.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 864, 865, 864, 865,
&end
#
# 121 LEU MDX 121 LEU HA 3.50 (# 885:20 Unique 2.07, 3.77 A)
&rst
ixpk= 885, nxpk= 20, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 121 LEU HB+ 121 LEU HA 3.30 (# 886:20 Unique 2.56, 2.82 A)
&rst
ixpk= 886, nxpk= 20, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1759,1760,
&end
#
# 80 LEU HB- 80 LEU HA 3.00 (# 887:20 Unique 2.24, 2.67 A)
&rst
ixpk= 887, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1161,1162,
&end
#
# 0 AMB 20-2:888 80 LEU HA 3.50 (# 888:20 Single Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 40 LEU HG 40 LEU HA 2.80 (# 889:20 Unique 2.38, 2.43 A)
&rst
ixpk= 889, nxpk= 20, iat= 567, 562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 LEU HB- 40 LEU HA 3.30 (# 890:20 Unique 2.54, 2.79 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 564, 565,
&end
#
# 40 LEU HB+ 40 LEU HA 3.30 (# 891:20 Unique 2.54, 2.79 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 564, 565,
&end
#
# 0 AMB 20-2:892 40 LEU HA 3.50 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 36 LEU HB+ 36 LEU HA 3.30 (# 893:20 Unique 2.49, 2.78 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HA 3.50 (# 894:20 Unique 2.09, 3.97 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 46 ALA MB 80 LEU HA 3.50 (# 895:20 Unique 1.97, 3.19 A)
&rst
ixpk= 895, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 662, 663, 664,
&end
#
# 59 ALA MB 59 ALA HA 2.80 (# 896:20 Unique 2.22, 2.63 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 847, 848, 849,
&end
#
# 0 AMB 20-2:897 114 ALA HA 3.50 (# 897:20 Single Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1201,1670,1671,1670,1671,
&end
#
# 114 ALA MB 114 ALA HA 2.80 (# 898:20 Unique 2.22, 2.63 A)
&rst
ixpk= 898, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1660,1661,1662,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 2.80 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 413, 414, 415, 629, 630,
igr2= 411, 627,
&end
#
# 44 LEU HB- 44 LEU HA 3.20 (# 900:20 Unique 2.62, 2.82 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 629, 630,
&end
#
# 44 LEU MDX 44 LEU HA 3.50 (# 901:20 Unique 1.94, 3.14 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 82 ALA MB 82 ALA HA 2.80 (# 902:20 Unique 2.22, 2.63 A)
&rst
ixpk= 902, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1191,1192,1193,
&end
#
# 83 VAL MGY 46 ALA HA 3.50 (# 903:20 Unique 2.03, 3.97 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 63 PRO HG- 63 PRO HD- 2.80 (# 904:20 Unique 2.30, 2.58 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 895, 896,
igr2= 892, 893,
&end
#
# 63 PRO HG- 63 PRO HD+ 2.80 (# 905:20 Unique 2.30, 2.58 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 895, 896,
igr2= 892, 893,
&end
#
# 62 ILE MG2 63 PRO HD+ 2.80 (# 906:20 Unique 1.96, 3.32 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 878, 879, 880,
igr2= 892, 893,
&end
#
# 46 ALA MB 46 ALA HA 2.80 (# 907:20 Unique 2.22, 2.63 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 662, 663, 664,
&end
#
# 0 AMB 20-2:908 46 ALA HA 3.50 (# 908:20 Single Ambig)
&rst
ixpk= 908, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 2 ALA MB 2 ALA HA 2.80 (# 909:20 Unique 2.23, 2.63 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 25, 26, 27,
&end
#
# 0 AMB 20-2:911 0 AMB 20-1:911 3.50 (# 911:20 Double Ambig)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1096,1097, 965, 966,
igr2=1132,1133, 962, 963,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 3.50 (# 912:20 Double Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1096,1097,1135,1136,1135,1136, 550, 551, 550, 551,
igr2=1132,1133,1132,1133,1132,1133, 547, 548, 547, 548,
&end
#
# 0 AMB 20-2:913 0 AMB 20-1:913 2.80 (# 913:20 Double Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1096,1097,1135,1136,1135,1136, 550, 551, 550, 551,
965, 966,
igr2=1132,1133, 547, 548, 962, 963,
&end
#
# 68 PRO HG- 68 PRO HD- 2.80 (# 914:20 Unique 2.30, 2.58 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 45 PRO HG+ 45 PRO HD+ 2.80 (# 915:20 Unique 2.30, 2.58 A)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 45 PRO HG- 45 PRO HD+ 2.80 (# 916:20 Unique 2.30, 2.58 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 44 LEU MDX 45 PRO HD- 5.00 (# 917:20 Unique 1.93, 4.37 A)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 645, 646,
&end
#
# 45 PRO HG+ 45 PRO HD- 2.80 (# 918:20 Unique 2.30, 2.58 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 45 PRO HG- 45 PRO HD- 2.80 (# 919:20 Unique 2.30, 2.58 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 44 LEU HB- 45 PRO HD- 4.50 (# 920:20 Unique 2.50, 4.43 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 66 LEU MDX 38 GLY HA- 3.50 (# 922:20 Unique 2.07, 4.73 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 541, 542,
&end
#
# 14 GLY HN 14 GLY HA+ 3.00 (# 927:20 Unique 2.30, 2.63 A)
&rst
ixpk= 927, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 185, 186,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 4.50 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
igr2=2067,2068,2067,2068,
&end
#
# 56 THR MG2 60 GLY HA+ 4.00 (# 929:20 Unique 1.97, 3.67 A)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 811, 812, 813,
igr2= 855, 856,
&end
#
# 56 THR MG2 60 GLY HA- 3.50 (# 930:20 Unique 1.97, 3.67 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 811, 812, 813,
igr2= 855, 856,
&end
#
# 66 LEU MDY 9 GLY HA+ 3.50 (# 931:20 Unique 1.98, 3.49 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:932 0 AMB 20-1:932 3.50 (# 932:20 Double Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2144,2146,2147,2148,2150,2151,2152,
igr2=1721,1722,1721,1722,
&end
#
# 0 AMB 20-2:934 118 GLY HA- 3.50 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2144,2146,2147,2148,2150,2151,2152,
igr2=1721,1722,
&end
#
# 0 AMB 20-2:935 66 LEU HB- 3.50 (# 935:20 Single Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 940, 941, 942, 944, 945, 946, 940, 941, 942, 944,
945, 946,
igr2= 935, 936,
&end
#
# 66 LEU MDY 66 LEU HB+ 3.80 (# 937:20 Unique 2.11, 3.32 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 935, 936,
&end
#
# 0 AMB 20-2:940 84 ARG HD- 3.50 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1220,1221,1217,1218,
igr2=1223,1224,
&end
#
# 0 AMB 20-2:942 0 AMB 20-1:942 3.50 (# 942:20 Double Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1220,1221,1220,1221,1217,1218,
igr2=1223,1224,1223,1224,1223,1224,
&end
#
# 51 LEU MDY 51 LEU HB- 3.80 (# 944:20 Unique 2.20, 3.30 A)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 6 LEU MDX 51 LEU HB- 4.30 (# 946:20 Unique 1.98, 3.70 A)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 733, 734,
&end
#
# 51 LEU MDY 51 LEU HB+ 3.80 (# 947:20 Unique 2.20, 3.30 A)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 36 LEU MDX 36 LEU HB- 3.80 (# 948:20 Unique 2.01, 3.23 A)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 36 LEU HG 36 LEU HB- 3.20 (# 949:20 Unique 2.50, 2.80 A)
&rst
ixpk= 949, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 507, 508,
&end
#
# 36 LEU HG 36 LEU HB+ 3.10 (# 952:20 Unique 2.50, 2.80 A)
&rst
ixpk= 952, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HB+ 3.80 (# 953:20 Unique 2.01, 3.23 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 0 AMB 20-2:954 0 AMB 20-1:954 4.50 (# 954:20 Double Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1606,1607,1606,1607,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:955 89 GLY HA- 4.50 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1477,1478,1479,1481,1482,
igr2=1295,1296,
&end
#
# 139 LEU MDY 139 LEU HB- 3.80 (# 957:20 Unique 2.13, 3.28 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2055,2056,2057,2059,2060,2061,
igr2=2050,2051,
&end
#
# 0 AMB 20-2:959 110 LYS HE- 4.50 (# 959:20 Single Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1606,1607,1606,1607,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:960 110 LYS HE- 3.50 (# 960:20 Single Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1612,1613,1612,1613,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:961 110 LYS HE- 4.50 (# 961:20 Single Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,1610,1609,1610,1692,1693,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:962 0 AMB 20-1:962 3.50 (# 962:20 Double Ambig)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1612,1613,1612,1613,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 4.50 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1609,1610,1609,1610,1692,1693,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 93 ARG HB- 0 AMB 20-1:964 4.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1341,1342,
igr2=1347,1348,1347,1348,
&end
#
# 0 AMB 20-2:965 0 AMB 20-1:965 4.50 (# 965:20 Double Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1341,1342,1341,1342,
igr2=1347,1348,1347,1348,
&end
#
# 93 ARG HG- 0 AMB 20-1:966 4.50 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1344,1345,
igr2=1347,1348,1347,1348,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 4.50 (# 967:20 Double Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1344,1345,1344,1345,
igr2=1347,1348,1347,1348,
&end
#
# 7 ILE MD1 7 ILE HB 3.50 (# 968:20 Unique 2.20, 3.12 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 108, 109, 110,
&end
#
# 0 AMB 20-2:969 7 ILE HB 3.50 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 7 ILE MG2 7 ILE HB 3.00 (# 970:20 Unique 2.22, 2.63 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 101, 102, 103,
&end
#
# 0 AMB 20-2:971 0 AMB 20-1:971 4.50 (# 971:20 Double Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2182,2183,1673,1674,
igr2=2188,2189,1679,1680,1679,1680,
&end
#
# 0 AMB 20-2:974 105 LEU HB- 3.50 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1484,1485,1486,1533,1534,1535,1537,1538,1539,
igr2=1528,1529,
&end
#
# 0 AMB 20-2:975 0 AMB 20-1:975 4.50 (# 975:20 Double Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:977 0 AMB 20-1:977 4.50 (# 977:20 Double Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:979 6 LEU HB- 3.50 (# 979:20 Single Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 80, 81,
&end
#
# 105 LEU MDY 105 LEU HB+ 3.80 (# 982:20 Unique 1.98, 3.25 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1528,1529,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 2.80 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1676,1677,1676,1677,1676,1677,1609,1610,1609,1610,
1609,1610,
igr2=1679,1680,1679,1680,1679,1680,1679,1680,1679,1680,
&end
#
# 0 AMB 20-2:984 0 AMB 20-1:984 3.50 (# 984:20 Double Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1692,1693,1692,1693,
igr2=1679,1680,1679,1680,
&end
#
# 0 AMB 20-2:985 122 LYS HE- 4.50 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1747,1748,1749,1759,1760,
igr2=1787,1788,
&end
#
# 0 AMB 20-2:986 0 AMB 20-1:986 4.50 (# 986:20 Double Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1747,1748,1749,1914,1915,1916,
igr2=1787,1788,1871,1872,1871,1872,
&end
#
# 0 AMB 20-2:988 0 AMB 20-1:988 3.50 (# 988:20 Double Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2185,2186,2185,2186,2179,2180,
igr2=2188,2189,2188,2189,2188,2189,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 5.50 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
igr1=2055,2056,2057,2059,2060,2061,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119, 53, 54,
igr2= 351, 352, 35, 36,
&end
#
# 0 AMB 20-2:991 0 AMB 20-1:991 5.50 (# 991:20 Double Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1533,1534,1535,1537,1538,1539,2113,2114,2115,2117,
2118,2119,
igr2=1528,1529, 364, 365,
&end
#
# 0 AMB 20-2:992 0 AMB 20-1:992 3.50 (# 992:20 Double Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2182,2183, 345, 346,1512,1513,1512,1513,
igr2=2188,2189, 351, 352,1515,1516,1515,1516,
&end
#
# 0 AMB 20-2:993 0 AMB 20-1:993 3.50 (# 993:20 Double Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1512,1513, 348, 349, 348, 349,
igr2=1515,1516,1515,1516, 351, 352,
&end
#
# 12 LEU HG 12 LEU HB- 3.20 (# 995:20 Unique 2.40, 2.75 A)
&rst
ixpk= 995, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 161, 162,
&end
#
# 12 LEU MDX 12 LEU HB- 3.50 (# 996:20 Unique 2.03, 3.27 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 161, 162,
&end
#
# 12 LEU MDY 12 LEU HB+ 3.50 (# 998:20 Unique 2.03, 3.27 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 161, 162,
&end
#
# 73 LEU HG 73 LEU HB- 3.30 (# 999:20 Unique 2.42, 2.77 A)
&rst
ixpk= 999, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 73 LEU MDX 73 LEU HB- 3.60 (# 1000:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 73 LEU HG 73 LEU HB+ 3.30 (# 1002:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1002, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1045,1046,
&end
#
# 73 LEU MDY 73 LEU HB+ 3.80 (# 1003:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 73 LEU MDX 73 LEU HB+ 3.80 (# 1004:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:1005 0 AMB 20-1:1005 3.50 (# 1005:20 Double Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1512,1513, 348, 349, 348, 349,
igr2=1515,1516,1515,1516, 351, 352,
&end
#
# 0 AMB 20-2:1006 0 AMB 20-1:1006 4.50 (# 1006:20 Double Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 348, 349, 348, 349,
igr2= 351, 352, 351, 352,
&end
#
# 41 LEU MDX 0 AMB 20-1:1008 4.50 (# 1008:20 Single Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584, 629, 630,
&end
#
# 0 AMB 20-2:1009 0 AMB 20-1:1009 2.80 (# 1009:20 Double Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 586, 164,
igr2= 583, 584, 161, 162,
&end
#
# 41 LEU MDX 41 LEU HB+ 3.50 (# 1012:20 Unique 2.06, 3.34 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584,
&end
#
# 53 ILE HG1+ 88 ILE HB 3.20 (# 1013:20 Unique 1.99, 2.70 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 774, 775,
&end
#
# 0 AMB 20-2:1015 0 AMB 20-1:1015 2.80 (# 1015:20 Double Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2146,2147,2148,2150,2151,2152,2144,1711,1712,1713,
igr2=2141,2142,2141,2142,2141,2142,
&end
#
# 0 AMB 20-2:1018 0 AMB 20-1:1018 4.50 (# 1018:20 Double Ambig)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 369, 370, 371, 373, 374, 375, 166, 167, 168, 170,
171, 172,
igr2= 364, 365, 161, 162,
&end
#
# 44 LEU MDY 44 LEU HB+ 3.80 (# 1019:20 Unique 1.99, 3.44 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 0 AMB 20-2:1022 0 AMB 20-1:1022 3.50 (# 1022:20 Double Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 567, 583, 584,
igr2= 564, 565, 564, 565,
&end
#
# 0 AMB 20-2:1024 0 AMB 20-1:1024 3.50 (# 1024:20 Double Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 564, 565, 564, 565,
&end
#
# 41 LEU HG 41 LEU HB+ 2.80 (# 1026:20 Unique 2.27, 2.64 A)
&rst
ixpk= 1026, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 583, 584,
&end
#
# 90 ILE MD1 90 ILE HB 3.50 (# 1027:20 Unique 2.16, 3.19 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1313,1314,1315,
&end
#
# 88 ILE MG2 88 ILE HB 3.00 (# 1028:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1280,1281,1282,
&end
#
# 0 AMB 20-2:1030 0 AMB 20-1:1030 2.80 (# 1030:20 Double Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 569, 570, 571, 573, 574, 575,1857,1858,1859,1861,
1862,1863,1857,1858,1859,1861,1862,1863,2144,
igr2= 564, 565,1852,1853,1852,1853,2141,2142,
&end
#
# 90 ILE MG2 90 ILE HB 3.00 (# 1031:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1306,1307,1308,
&end
#
# 0 AMB 20-2:1032 126 LEU HB- 2.80 (# 1032:20 Single Ambig)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1852,1853,
&end
#
# 0 AMB 20-2:1033 0 AMB 20-1:1033 2.80 (# 1033:20 Double Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863, 49, 50, 51,
igr2=1852,1853,1852,1853, 47,
&end
#
# 4 ILE MD1 4 ILE HB 3.80 (# 1034:20 Unique 2.61, 3.33 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 56, 57, 58,
&end
#
# 0 AMB 20-2:1037 53 ILE HB 2.80 (# 1037:20 Single Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 777, 778, 779, 770, 771, 772, 774, 775,
&end
#
# 109 LEU MDX 109 LEU HB- 3.80 (# 1040:20 Unique 2.13, 3.28 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 109 LEU MDX 109 LEU HB+ 3.80 (# 1041:20 Unique 2.13, 3.28 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 114 ALA MB 109 LEU HB+ 5.50 (# 1042:20 Unique 3.19, 5.26 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1660,1661,1662,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:1048 0 AMB 20-1:1048 3.50 (# 1048:20 Double Ambig)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1161,1162,1161,1162,
&end
#
# 0 AMB 20-2:1050 123 ILE HB 3.50 (# 1050:20 Single Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1310,1311,1802,1803,1804,
&end
#
# 0 AMB 20-2:1051 123 ILE HB 3.50 (# 1051:20 Single Ambig)
&rst
ixpk= 1051, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1313,1314,1315,1809,1810,1811,1806,1807,
&end
#
# 0 AMB 20-2:1052 0 AMB 20-1:1052 3.50 (# 1052:20 Double Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 369, 370, 371, 373, 374, 375,1166,1167,1168,1170,
1171,1172, 303, 304, 305, 307, 308, 309,
igr2= 298, 299,1161,1162,
&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= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172, 303, 304, 305, 307, 308, 309,
igr2=1161,1162, 298, 299,
&end
#
# 49 ILE MG2 49 ILE HB 3.00 (# 1059:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 692, 693, 694,
&end
#
# 0 AMB 20-2:1060 49 ILE HB 3.50 (# 1060:20 Single Ambig)
&rst
ixpk= 1060, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 699, 700, 701, 696, 697,
&end
#
# 0 AMB 20-2:1062 0 AMB 20-1:1062 3.50 (# 1062:20 Double Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1484,1485,1486, 882, 883,
igr2=1475, 876,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 3.50 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1481,1482,1465,1466,1467, 895, 896,
igr2=1475, 876,
&end
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 2.80 (# 1064:20 Double Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 878, 879, 880,1477,1478,1479,1481,1482,
igr2= 876,1475,
&end
#
# 0 AMB 20-2:1066 69 PHE HB- 4.50 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 940, 941, 942, 944, 945, 946,1592,1593,1594,1596,
1597,1598,
igr2= 979, 980,
&end
#
# 125 ILE MG2 125 ILE HB 3.00 (# 1067:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1835,1836,1837,
&end
#
# 125 ILE HG1+ 125 ILE HB 3.00 (# 1068:20 Unique 2.25, 2.68 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1839,1840,
&end
#
# 0 AMB 20-2:1069 125 ILE HB 4.50 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1842,1843,1844,1306,1307,1308,
&end
#
# 0 AMB 20-2:1070 130 ILE HB 3.50 (# 1070:20 Single Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1914,1915,1916,1802,1803,1804,
&end
#
# 35 THR MG2 20 GLU HG+ 5.50 (# 1071:20 Unique 4.40, 6.14 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 495, 496, 497,
igr2= 269, 270,
&end
#
# 0 AMB 20-2:1074 20 GLU HG- 3.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 327, 328, 266, 267, 266, 267,
igr2= 269, 270,
&end
#
# 0 AMB 20-2:1076 0 AMB 20-1:1076 3.50 (# 1076:20 Double Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 327, 328, 266, 267, 266, 267,
igr2= 269, 270, 269, 270, 269, 270,
&end
#
# 0 AMB 20-2:1078 71 GLU HG- 2.80 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1020,1021,1020,1021,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:1081 0 AMB 20-1:1081 2.80 (# 1081:20 Double Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 383, 384, 383, 384,
igr2= 386, 387, 386, 387,
&end
#
# 33 THR MG2 0 AMB 20-1:1084 3.50 (# 1084:20 Single Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 466, 467, 468,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1085 0 AMB 20-1:1085 2.80 (# 1085:20 Double Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 383, 384, 383, 384, 398, 399, 330, 331,
igr2= 386, 387, 401, 402,
&end
#
# 33 THR MG2 0 AMB 20-1:1086 3.50 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 466, 467, 468,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1087 0 AMB 20-1:1087 2.80 (# 1087:20 Double Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1081,1082,1081,1082,1730,1731,1730,1731,
igr2=1084,1085,1733,1734,1733,1734,
&end
#
# 94 GLU HB- 94 GLU HG- 3.00 (# 1090:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1365,1366,
igr2=1368,1369,
&end
#
# 0 AMB 20-2:1091 94 GLU HG- 4.50 (# 1091:20 Single Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1368,1369,
&end
#
# 94 GLU HB- 94 GLU HG+ 3.00 (# 1094:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1365,1366,
igr2=1368,1369,
&end
#
# 36 LEU HG 34 GLU HG- 3.20 (# 1098:20 Unique 2.04, 2.90 A)
&rst
ixpk= 1098, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 481, 482,
&end
#
# 34 GLU HB+ 34 GLU HG+ 3.20 (# 1099:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 478, 479,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:1100 0 AMB 20-1:1100 3.50 (# 1100:20 Double Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
igr2= 481, 482, 481, 482,
&end
#
# 36 LEU MDX 34 GLU HG+ 4.50 (# 1101:20 Unique 2.00, 4.49 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:1102 34 GLU HG- 4.50 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
igr2= 481, 482,
&end
#
# 36 LEU HG 34 GLU HG+ 3.40 (# 1103:20 Unique 2.04, 2.90 A)
&rst
ixpk= 1103, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 3.50 (# 1104:20 Double Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 204, 205, 204, 205,
igr2= 207, 208, 207, 208,
&end
#
# 16 GLU HB- 0 AMB 20-1:1105 4.50 (# 1105:20 Single Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 204, 205,
igr2= 207, 208, 207, 208,
&end
#
# 0 AMB 20-2:1106 0 AMB 20-1:1106 3.50 (# 1106:20 Double Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1096,1097,1081,1082,
igr2=1099,1100,1099,1100,
&end
#
# 76 GLN HB+ 76 GLN HG+ 3.20 (# 1107:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:1108 76 GLN HG- 4.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1084,1085, 605, 606, 605, 606,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:1109 76 GLN HG- 3.50 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1096,1097,1081,1082,
igr2=1099,1100,
&end
#
# 76 GLN HB+ 76 GLN HG- 3.20 (# 1110:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 147 LYS HG- 147 LYS HB- 3.00 (# 1114:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2182,2183,
igr2=2179,2180,
&end
#
# 0 AMB 20-2:1118 34 GLU HB- 4.50 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 25, 26, 27, 510,
igr2= 478, 479,
&end
#
# 34 GLU HG+ 34 GLU HB- 3.20 (# 1119:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 0 AMB 20-2:1120 34 GLU HB- 4.50 (# 1120:20 Single Ambig)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,
igr2= 478, 479,
&end
#
# 34 GLU HG- 34 GLU HB+ 3.20 (# 1121:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 34 GLU HG+ 34 GLU HB+ 3.20 (# 1122:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 0 AMB 20-2:1123 0 AMB 20-1:1123 3.50 (# 1123:20 Double Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 25, 26, 27, 510,
igr2= 478, 479, 478, 479,
&end
#
# 52 VAL MGX 52 VAL HB 3.00 (# 1126:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:1127 52 VAL HB 3.50 (# 1127:20 Single Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 940, 941, 942, 944, 945, 946, 754, 755, 756, 758,
759, 760,
&end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 2.80 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1135,1136,1135,1136,
igr2=1138,1139,1138,1139,
&end
#
# 0 AMB 20-2:1129 78 PRO HB- 3.50 (# 1129:20 Single Ambig)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172, 588, 589, 590, 592, 593, 594,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:1132 0 AMB 20-1:1132 3.50 (# 1132:20 Double Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172, 588, 589, 590, 592, 593, 594,
igr2=1138,1139,1138,1139,1201,1138,1139,
&end
#
# 0 AMB 20-2:1135 119 GLU HB- 2.80 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1733,1734,1733,1734,
igr2=1730,1731,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 3.50 (# 1138:20 Double Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1609,1610,1609,1610,1609,1610,1676,1677,
igr2=1606,1607,1606,1607,1606,1607,1606,1607,
&end
#
# 0 AMB 20-2:1139 0 AMB 20-1:1139 2.80 (# 1139:20 Double Ambig)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1733,1734,1733,1734,
igr2=1730,1731,1730,1731,
&end
#
# 44 LEU HG 0 AMB 20-1:1143 3.50 (# 1143:20 Single Ambig)
&rst
ixpk= 1143, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 20-2:1145 83 VAL HB 7.00 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1606,1607,1606,1607,
&end
#
# 114 ALA MB 83 VAL HB 3.30 (# 1146:20 Unique 1.97, 2.97 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1660,1661,1662,
&end
#
# 83 VAL MGY 83 VAL HB 3.00 (# 1147:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL MGX 83 VAL HB 3.00 (# 1148:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1149 0 AMB 20-1:1149 4.50 (# 1149:20 Double Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=2163, 369, 370, 371, 373, 374, 375,1764,1765,1766,
1768,1769,1770,
igr2=2111,1730,1731,
&end
#
# 143 VAL HA 143 VAL HB 2.80 (# 1152:20 Unique 2.47, 2.51 A)
&rst
ixpk= 1152, nxpk= 20, iat=2109,2111, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1153 143 VAL HB 2.80 (# 1153:20 Single Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 20-2:1154 6 LEU HG 2.80 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 18 VAL MGX 18 VAL HB 3.00 (# 1155:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:1156 18 VAL HB 3.50 (# 1156:20 Single Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 242, 243, 244, 246, 247, 248,1313,1314,1315,1806,
1807,
&end
#
# 75 GLU HG+ 75 GLU HB- 2.80 (# 1157:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1084,1085,
igr2=1081,1082,
&end
#
# 75 GLU HG+ 75 GLU HB+ 2.80 (# 1158:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1084,1085,
igr2=1081,1082,
&end
#
# 68 PRO HG+ 68 PRO HB- 2.80 (# 1159:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 965, 966,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:1161 68 PRO HB- 4.50 (# 1161:20 Single Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:1163 0 AMB 20-1:1163 4.50 (# 1163:20 Double Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 968, 969, 968, 969,
&end
#
# 0 AMB 20-2:1164 0 AMB 20-1:1164 3.50 (# 1164:20 Double Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 345, 346,1116,1117,1116,1117,
igr2= 342, 343,1113,1114,1113,1114,
&end
#
# 0 AMB 20-2:1165 0 AMB 20-1:1165 3.50 (# 1165:20 Double Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 345, 346,1116,1117,1116,1117,
igr2= 342, 343,1113,1114,1113,1114,
&end
#
# 0 AMB 20-2:1168 102 ILE HG1- 3.50 (# 1168:20 Single Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486,
igr2=1481,1482,
&end
#
# 0 AMB 20-2:1169 0 AMB 20-1:1169 4.50 (# 1169:20 Double Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1615,1616,1615,1616,1615,1616,
igr2=1612,1613,1612,1613,1612,1613,
&end
#
# 102 ILE MD1 102 ILE HG1+ 3.00 (# 1170:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1484,1485,1486,
igr2=1481,1482,
&end
#
# 0 AMB 20-2:1172 104 LYS HD- 4.50 (# 1172:20 Single Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1515,1516,1515,1516,
igr2=1512,1513,
&end
#
# 0 AMB 20-2:1175 0 AMB 20-1:1175 2.80 (# 1175:20 Double Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1999,2000, 401, 402,
igr2=1996,1997,1996,1997, 398, 399,
&end
#
# 73 LEU MDX 108 GLU HB+ 4.50 (# 1177:20 Unique 1.97, 5.24 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:1179 0 AMB 20-1:1179 3.50 (# 1179:20 Double Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 401, 402,1999,2000,
igr2= 398, 399, 327, 328,2011,2012,
&end
#
# 24 GLU HG+ 24 GLU HB+ 3.20 (# 1180:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 330, 331,
igr2= 327, 328,
&end
#
# 71 GLU HG- 0 AMB 20-1:1181 3.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1023,1024,
igr2=1020,1021,1020,1021,
&end
#
# 147 LYS HG- 0 AMB 20-1:1182 2.80 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2182,2183,
igr2=2185,2186,2185,2186,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 4.50 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2188,2189,1628,1629,
igr2=2185,2186,2185,2186,1119,1120,
&end
#
# 77 LYS HG+ 77 LYS HD+ 3.00 (# 1186:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1116,1117,
igr2=1119,1120,
&end
#
# 62 ILE MD1 62 ILE HG1- 3.00 (# 1188:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 885, 886, 887,
igr2= 882, 883,
&end
#
# 0 AMB 20-2:1192 0 AMB 20-1:1192 3.50 (# 1192:20 Double Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1679,1680,1679,1680,1679,1680,
igr2=1676,1677,1676,1677,1676,1677,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 2.80 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 269, 270,1099,1100,1099,1100,
igr2= 266, 267,1096,1097,
&end
#
# 0 AMB 20-2:1194 0 AMB 20-1:1194 3.50 (# 1194:20 Double Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1099,1100,1099,1100,
igr2=1096,1097,1096,1097,
&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= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 605, 606, 605, 606, 605, 606,
igr2= 602, 603, 602, 603, 602, 603,
&end
#
# 0 AMB 20-2:1199 0 AMB 20-1:1199 2.80 (# 1199:20 Double Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 386, 387, 386, 387, 386, 387,
igr2= 383, 384, 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:1205 0 AMB 20-1:1205 3.50 (# 1205:20 Double Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 207, 208, 207, 208,
igr2= 204, 205, 204, 205,
&end
#
# 0 AMB 20-2:1208 16 GLU HB- 4.50 (# 1208:20 Single Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 207, 208, 207, 208,
igr2= 204, 205,
&end
#
# 0 AMB 20-2:1210 0 AMB 20-1:1210 5.50 (# 1210:20 Double Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1347,1348,1347,1348,
igr2=1344,1345,1344,1345,
&end
#
# 0 AMB 20-2:1212 0 AMB 20-1:1212 4.50 (# 1212:20 Double Ambig)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1695,1696, 690,
igr2=1692,1693, 696, 697,
&end
#
# 4 ILE MD1 4 ILE HG1+ 3.00 (# 1215:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 56, 57, 58,
igr2= 53, 54,
&end
#
# 0 AMB 20-2:1222 7 ILE HG1- 3.50 (# 1222:20 Single Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 108, 109, 110, 634, 635, 636, 638, 639, 640,
igr2= 105, 106,
&end
#
# 53 ILE HB 53 ILE HG1+ 3.20 (# 1225:20 Unique 2.68, 2.85 A)
&rst
ixpk= 1225, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1227 0 AMB 20-1:1227 3.50 (# 1227:20 Double Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 101, 102, 103, 634, 635, 636, 638, 639, 640,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:1228 0 AMB 20-1:1228 3.50 (# 1228:20 Double Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 108, 109, 110, 634, 635, 636, 638, 639, 640,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:1230 7 ILE HG1- 4.50 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 101, 102, 103, 634, 635, 636, 638, 639, 640,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:1231 0 AMB 20-1:1231 4.50 (# 1231:20 Double Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1132,1133,1132,1133, 547, 548, 547, 548,
igr2=1135,1136,1135,1136, 550, 551, 550, 551,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 3.50 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 588, 589, 590, 592, 593, 594, 369, 370, 371, 373,
374, 375,
igr2= 586, 348, 349,
&end
#
# 0 AMB 20-2:1233 51 LEU HG 4.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 777, 778, 779, 774, 775,
&end
#
# 0 AMB 20-2:1234 51 LEU HG 4.50 (# 1234:20 Single Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 738, 739, 740, 742, 743, 744,1287,1288,1289,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 4.50 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 512, 513, 514, 516, 517, 518,1050,1051,1052,1054,
1055,1056,
igr2= 550, 551, 550, 551,1135,1136,1135,1136,
&end
#
# 78 PRO HB- 0 AMB 20-1:1238 3.50 (# 1238:20 Single Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1138,1139,
igr2=1135,1136,1135,1136,
&end
#
# 0 AMB 20-2:1239 0 AMB 20-1:1239 2.80 (# 1239:20 Double Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1138,1139,1138,1139,
igr2=1135,1136,1135,1136,
&end
#
# 26 LEU HB+ 26 LEU HG 3.20 (# 1240:20 Unique 2.35, 2.78 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 364, 365,
&end
#
# 0 AMB 20-2:1241 0 AMB 20-1:1241 3.50 (# 1241:20 Double Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr1= 588, 589, 590, 592, 593, 594,1166,1167,1168,1170,
1171,1172,1166,1167,1168,1170,1171,1172, 369, 370,
371, 373, 374, 375,
igr2=1135,1136,1135,1136,1135,1136,1135,1136, 367,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 2.80 (# 1242:20 Double Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1606,1607,1606,1607,1606,1607,
igr2=1609,1610,1609,1610,1609,1610,
&end
#
# 0 AMB 20-2:1243 0 AMB 20-1:1243 3.50 (# 1243:20 Double Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1533,1534,1535,1537,1538,1539,1660,1661,1662,
igr2=1531,1609,1610,1609,1610,
&end
#
# 0 AMB 20-2:1244 36 LEU HG 3.50 (# 1244:20 Single Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
&end
#
# 51 LEU MDY 51 LEU HG 3.00 (# 1246:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1247 0 AMB 20-1:1247 3.50 (# 1247:20 Double Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 588, 589, 590, 592, 593, 594,2055,2056,2057,2059,
2060,2061,
igr2=1135,1136,1135,1136, 367,
&end
#
# 0 AMB 20-2:1248 0 AMB 20-1:1248 2.80 (# 1248:20 Double Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2055,2056,2057,2059,2060,2061, 588, 589, 590, 592,
593, 594, 166, 167, 168, 170, 171, 172,
igr2= 348, 349, 348, 349, 586, 164,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 2.80 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 345, 346, 583, 584,
igr2= 348, 349, 348, 349, 586,
&end
#
# 36 LEU MDX 36 LEU HG 3.00 (# 1251:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 2.80 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 369, 370, 371, 373, 374, 375,1857,1858,1859,1861,
1862,1863,1857,1858,1859,1861,1862,1863,
igr2= 367,1855,
&end
#
# 40 LEU HB- 40 LEU HG 3.20 (# 1253:20 Unique 2.61, 2.84 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 564, 565,
&end
#
# 40 LEU HB+ 40 LEU HG 3.20 (# 1254:20 Unique 2.61, 2.84 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 564, 565,
&end
#
# 0 AMB 20-2:1255 40 LEU HG 2.80 (# 1255:20 Single Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 0 AMB 20-2:1256 0 AMB 20-1:1256 3.50 (# 1256:20 Double Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1306,1307,1308,1842,1843,1844,
igr2=1839,1840,1839,1840,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 3.50 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 161, 162, 398, 399, 398, 399,
igr2= 164, 348, 349, 348, 349,
&end
#
# 12 LEU MDY 12 LEU HG 3.00 (# 1258:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 84 ARG HD+ 84 ARG HG+ 3.20 (# 1259:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1223,1224,
igr2=1220,1221,
&end
#
# 0 AMB 20-2:1260 0 AMB 20-1:1260 3.50 (# 1260:20 Double Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 345, 346, 345, 346,
igr2= 348, 349, 348, 349,
&end
#
# 66 LEU MDY 66 LEU HG 3.00 (# 1261:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 121 LEU MDX 121 LEU HG 3.00 (# 1262:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:1263 121 LEU HG 4.50 (# 1263:20 Single Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1764,1765,1766,1768,1769,1770,1280,1281,1282,
&end
#
# 109 LEU MDX 109 LEU HG 3.00 (# 1264:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:1265 22 LEU MDX 3.50 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1266 0 AMB 20-1:1266 3.50 (# 1266:20 Double Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1592,1593,1594,1596,1597,1598,1809,1810,1811,
igr2=1590,1918,1919,
&end
#
# 0 AMB 20-2:1267 80 LEU HG 3.50 (# 1267:20 Single Ambig)
&rst
ixpk= 1267, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 105 LEU HB- 105 LEU MDX 3.50 (# 1268:20 Unique 1.98, 3.25 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 22 LEU HB+ 22 LEU MDX 3.80 (# 1269:20 Unique 2.18, 3.28 A)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1270 22 LEU HG 3.50 (# 1270:20 Single Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 303, 304, 305, 307, 308, 309, 242, 243, 244, 246,
247, 248,
&end
#
# 0 AMB 20-2:1271 139 LEU HG 3.50 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2055,2056,2057,2059,2060,2061,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,
&end
#
# 130 ILE HB 130 ILE HG1+ 3.20 (# 1272:20 Unique 2.44, 2.80 A)
&rst
ixpk= 1272, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1918,1919,
&end
#
# 0 AMB 20-2:1274 0 AMB 20-1:1274 3.50 (# 1274:20 Double Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1921,1922,1923,1802,1803,1804,
igr2=1918,1919,1918,1919,
&end
#
# 0 AMB 20-2:1275 44 LEU HG 3.50 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 634, 635, 636, 638, 639, 640, 108, 109, 110,
&end
#
# 0 AMB 20-2:1277 130 ILE HG1- 3.50 (# 1277:20 Single Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1921,1922,1923,1802,1803,1804,
igr2=1918,1919,
&end
#
# 0 AMB 20-2:1278 139 LEU MDY 2.80 (# 1278:20 Single Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 342, 343,2050,2051,2053,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:1279 105 LEU MDX 3.50 (# 1279:20 Single Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 935, 936,1531,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:1280 22 LEU MDX 3.50 (# 1280:20 Single Ambig)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 301,2050,2051,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 44 LEU HB+ 44 LEU MDY 3.80 (# 1281:20 Unique 1.99, 3.44 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 629, 630,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HG 44 LEU MDY 3.00 (# 1282:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1282, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1283 44 LEU MDY 3.50 (# 1283:20 Single Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 629, 630, 105, 106,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 36 LEU HG 36 LEU MDX 3.00 (# 1284:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1284, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:1285 0 AMB 20-1:1285 2.80 (# 1285:20 Double Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 367,1855,
igr2= 369, 370, 371, 373, 374, 375,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:1286 36 LEU MDX 4.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 553, 554, 553, 554, 550, 551, 550, 551,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB- 36 LEU MDX 3.80 (# 1287:20 Unique 2.01, 3.23 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:1288 36 LEU MDX 3.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 507, 508, 105, 106,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 44 LEU MDX 36 LEU MDX 4.50 (# 1290:20 Unique 3.40, 7.14 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:1292 126 LEU MDY 3.50 (# 1292:20 Single Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1852,1853,1365,1366,1368,1369,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1293 26 LEU MDX 2.80 (# 1293:20 Single Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 298, 299, 364, 365, 345, 346,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 51 LEU MDY 26 LEU MDX 4.50 (# 1294:20 Unique 3.09, 6.71 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 4 ILE MD1 26 LEU MDX 3.50 (# 1295:20 Unique 2.55, 5.02 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 56, 57, 58,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1296 41 LEU MDX 3.50 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1135,1136,1135,1136,1096,1097,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:1297 41 LEU MDX 3.50 (# 1297:20 Single Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1138,1139, 583, 584, 629, 630,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:1298 41 LEU MDX 2.80 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1035,1036,1037, 586,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 147 LYS HG+ 145 LEU MDY 5.50 (# 1300:20 Unique 5.39, 7.45 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2182,2183,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 73 LEU HB- 73 LEU HG 3.30 (# 1301:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1045,1046,
&end
#
# 0 AMB 20-2:1302 0 AMB 20-1:1302 3.50 (# 1302:20 Double Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1512,1513, 586,
igr2=1509,1510,1509,1510,1048,
&end
#
# 73 LEU MDX 73 LEU HG 3.00 (# 1303:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 26 LEU HB- 26 LEU MDX 3.60 (# 1304:20 Unique 2.03, 3.24 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 364, 365,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 145 LEU MDY 145 LEU HG 3.00 (# 1305:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1305, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 73 LEU HB- 73 LEU MDX 3.60 (# 1306:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB+ 73 LEU MDX 3.60 (# 1307:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:1308 73 LEU MDX 3.50 (# 1308:20 Single Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1592,1593,1594,1596,1597,1598, 588, 589, 590, 592,
593, 594,1166,1167,1168,1170,1171,1172,1166,1167,
1168,1170,1171,1172,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 135 ALA MB 121 LEU MDY 4.50 (# 1310:20 Unique 2.58, 5.61 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1986,1987,1988,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 121 LEU HG 121 LEU MDY 3.00 (# 1311:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1311, nxpk= 20, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:1313 121 LEU MDY 3.50 (# 1313:20 Single Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1809,1810,1811, 242, 243, 244, 246, 247, 248, 303,
304, 305, 307, 308, 309,1806,1807,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 12 LEU HB- 12 LEU MDX 3.50 (# 1314:20 Unique 2.03, 3.27 A)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 161, 162,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 145 LEU HB+ 145 LEU HG 2.80 (# 1315:20 Unique 2.24, 2.49 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2141,2142,
&end
#
# 108 GLU HB- 73 LEU MDX 5.50 (# 1316:20 Unique 1.97, 5.24 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1572,1573,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HG 73 LEU MDX 3.00 (# 1317:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1317, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 12 LEU HG 12 LEU MDX 3.00 (# 1318:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1318, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 12 LEU HB+ 12 LEU MDX 3.50 (# 1319:20 Unique 2.03, 3.27 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 161, 162,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 102 ILE MG2 99 CYS HB+ 4.50 (# 1321:20 Unique 2.00, 4.51 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1477,1478,1479,
igr2=1447,1448,
&end
#
# 40 LEU HG 40 LEU MDX 2.80 (# 1324:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1324, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 40 LEU HB- 40 LEU MDX 2.80 (# 1325:20 Unique 1.99, 3.21 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:1326 40 LEU MDX 3.50 (# 1326:20 Single Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 564, 565,1035,1036,1037,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 6 LEU HB+ 6 LEU MDY 3.50 (# 1327:20 Unique 1.99, 3.45 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1328 6 LEU MDY 2.80 (# 1328:20 Single Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 317, 318, 319, 83,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1329 6 LEU MDY 3.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734, 466, 467, 468,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1330 51 LEU MDY 2.80 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 733, 734, 736,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 6 LEU MDX 51 LEU MDY 2.80 (# 1331:20 Unique 1.99, 5.10 A)
&rst
ixpk= 1331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HB- 51 LEU MDY 3.50 (# 1335:20 Unique 2.20, 3.30 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 733, 734,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1336 51 LEU MDY 4.50 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 317, 318, 319, 83,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 109 LEU HG 109 LEU MDX 3.50 (# 1337:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1337, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB- 109 LEU MDX 3.50 (# 1338:20 Unique 2.13, 3.28 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 52 VAL MGX 109 LEU MDX 3.50 (# 1339:20 Unique 2.00, 5.12 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 754, 755, 756, 758, 759, 760,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:1341 0 AMB 20-1:1341 2.80 (# 1341:20 Double Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2185,2186,2185,2186,
igr2=2182,2183,2182,2183,
&end
#
# 0 AMB 20-2:1342 88 ILE HG1- 3.50 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 738, 739, 740, 742, 743, 744,1287,1288,1289,
igr2=1284,1285,
&end
#
# 146 LEU MDY 146 LEU HG 3.00 (# 1344:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 66 LEU HB+ 66 LEU MDY 3.80 (# 1345:20 Unique 2.11, 3.32 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 935, 936,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 20-2:1346 66 LEU MDY 3.50 (# 1346:20 Single Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879, 880,1481,1482,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 7 ILE MG2 66 LEU MDY 4.50 (# 1347:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 101, 102, 103,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 20-2:1349 0 AMB 20-1:1349 2.80 (# 1349:20 Double Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1609,1610,1609,1610,1676,1677,1676,1677,
igr2=1673,1674,1673,1674,1673,1674,1673,1674,
&end
#
# 0 AMB 20-2:1350 0 AMB 20-1:1350 2.80 (# 1350:20 Double Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1609,1610,1609,1610,2179,2180,2185,2186,2185,2186,
1676,1677,1676,1677,
igr2=1673,1674,2182,2183,
&end
#
# 9 GLY HA+ 66 LEU MDY 3.80 (# 1351:20 Unique 1.98, 3.49 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 127, 128,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 66 LEU HG 66 LEU MDY 3.00 (# 1352:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1352, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 66 LEU HB- 66 LEU MDY 3.80 (# 1353:20 Unique 2.11, 3.32 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 935, 936,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 143 VAL HA 146 LEU MDY 4.00 (# 1354:20 Unique 1.99, 3.75 A)
&rst
ixpk= 1354, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:1355 146 LEU MDY 3.50 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 692, 693, 694,2163, 49, 50, 51,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 4 ILE MD1 146 LEU MDY 4.50 (# 1356:20 Unique 2.36, 5.06 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 56, 57, 58,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 109 LEU HG 109 LEU MDY 3.00 (# 1358:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1358, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB- 109 LEU MDY 3.50 (# 1359:20 Unique 2.13, 3.28 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:1360 109 LEU MDY 3.50 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1660,1661,1662, 588, 589, 590, 592, 593, 594,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 73 LEU MDX 109 LEU MDY 3.50 (# 1361:20 Unique 1.98, 4.68 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HG 73 LEU MDY 4.00 (# 1363:20 Unique 1.98, 3.44 A)
&rst
ixpk= 1363, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 146 LEU HB- 146 LEU MDY 3.50 (# 1364:20 Unique 1.97, 3.21 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 146 LEU HB+ 146 LEU MDY 3.50 (# 1365:20 Unique 1.97, 3.21 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:1366 77 LYS HG- 3.50 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1113,1114,1113,1114,
igr2=1116,1117,
&end
#
# 0 AMB 20-2:1367 0 AMB 20-1:1367 3.50 (# 1367:20 Double Ambig)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1113,1114,1113,1114,
igr2=1116,1117,1116,1117,
&end
#
# 0 AMB 20-2:1368 73 LEU MDY 3.50 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1572,1573,1135,1136,1135,1136,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB- 73 LEU MDY 3.80 (# 1369:20 Unique 2.14, 3.25 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HG 73 LEU MDY 3.00 (# 1370:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1370, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 41 LEU MDY 73 LEU MDY 3.50 (# 1371:20 Unique 2.09, 5.57 A)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:1372 73 LEU MDY 2.80 (# 1372:20 Single Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1592,1593,1594,1596,1597,1598, 588, 589, 590, 592,
593, 594,1166,1167,1168,1170,1171,1172,1166,1167,
1168,1170,1171,1172,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 77 LYS HD+ 77 LYS HG+ 3.00 (# 1374:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1119,1120,
igr2=1116,1117,
&end
#
# 0 AMB 20-2:1375 44 LEU MDX 4.50 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 553, 554, 553, 554, 550, 551,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HB+ 44 LEU MDX 3.80 (# 1376:20 Unique 1.99, 3.44 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 629, 630,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1378 44 LEU MDX 3.50 (# 1378:20 Single Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 629, 630, 105, 106,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HG 44 LEU MDX 3.00 (# 1379:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1379, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1380 44 LEU MDX 3.50 (# 1380:20 Single Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 588, 589, 590, 592, 593, 594,1166,1167,1168,1170,
1171,1172,1166,1167,1168,1170,1171,1172,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1381 44 LEU MDX 4.50 (# 1381:20 Single Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 512, 513, 514, 516, 517, 518,1050,1051,1052,1054,
1055,1056,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1383 0 AMB 20-1:1383 3.50 (# 1383:20 Double Ambig)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 348, 349, 348, 349,
igr2= 345, 346, 345, 346,
&end
#
# 70 TYR HB- 105 LEU MDY 5.00 (# 1384:20 Unique 1.96, 4.55 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 999,1000,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:1385 25 LYS HG- 3.50 (# 1385:20 Single Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 348, 349, 348, 349,
igr2= 345, 346,
&end
#
# 0 AMB 20-2:1387 0 AMB 20-1:1387 4.50 (# 1387:20 Double Ambig)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 634, 635, 636, 638, 639, 640, 885, 886, 887,
igr2= 588, 589, 590, 592, 593, 594,1533,1534,1535,1537,
1538,1539,
&end
#
# 44 LEU MDY 41 LEU MDY 4.50 (# 1388:20 Unique 1.99, 7.66 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 26 LEU HB- 26 LEU MDY 3.80 (# 1389:20 Unique 2.03, 3.24 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 364, 365,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1390 26 LEU MDY 3.50 (# 1390:20 Single Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2053, 367,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 9 GLY HA+ 66 LEU MDX 3.50 (# 1391:20 Unique 1.98, 3.49 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 127, 128,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 66 LEU HG 66 LEU MDX 3.00 (# 1392:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1392, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 7 ILE MG2 66 LEU MDX 3.50 (# 1393:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 101, 102, 103,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 4 ILE MD1 26 LEU MDY 3.50 (# 1394:20 Unique 2.55, 5.02 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 56, 57, 58,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 2.80 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1096,1097, 240,
igr2= 588, 589, 590, 592, 593, 594, 242, 243, 244, 246,
247, 248,
&end
#
# 0 AMB 20-2:1396 33 THR MG2 3.50 (# 1396:20 Single Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 386, 387, 386, 387,
igr2= 466, 467, 468,
&end
#
# 26 LEU HB- 33 THR MG2 4.00 (# 1397:20 Unique 2.39, 3.70 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 364, 365,
igr2= 466, 467, 468,
&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= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 161, 162, 605, 606,
igr2= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575,
&end
#
# 146 LEU MDX 117 THR MG2 3.50 (# 1399:20 Unique 3.16, 5.40 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2165,2166,2167,2169,2170,2171,
igr2=1711,1712,1713,
&end
#
# 68 PRO HB- 40 LEU MDY 4.50 (# 1400:20 Unique 1.98, 4.31 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 968, 969,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:1401 40 LEU MDY 3.50 (# 1401:20 Single Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 968, 969, 965, 966,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 121 LEU HB+ 121 LEU MDX 3.80 (# 1403:20 Unique 2.11, 3.27 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1759,1760,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:1404 51 LEU MDX 5.50 (# 1404:20 Single Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1759,1760, 108, 109, 110,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1405 51 LEU MDX 3.50 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 733, 734, 736,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 143 VAL HA 143 VAL MGX 3.50 (# 1407:20 Unique 2.20, 3.44 A)
&rst
ixpk= 1407, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 143 VAL HB 143 VAL MGX 2.80 (# 1408:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1408, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:1409 143 VAL MGX 4.50 (# 1409:20 Single Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 413, 414, 415, 342, 343,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 126 LEU HG 126 LEU MDX 3.00 (# 1410:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1410, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 20 GLU HG- 35 THR MG2 5.50 (# 1411:20 Unique 4.40, 6.14 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 269, 270,
igr2= 495, 496, 497,
&end
#
# 20 GLU HG+ 35 THR MG2 5.50 (# 1412:20 Unique 4.40, 6.14 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 269, 270,
igr2= 495, 496, 497,
&end
#
# 102 ILE MD1 87 ALA MB 3.50 (# 1413:20 Unique 2.04, 4.80 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1484,1485,1486,
igr2=1268,1269,1270,
&end
#
# 6 LEU HB+ 35 THR MG2 3.80 (# 1415:20 Unique 2.05, 3.42 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 80, 81,
igr2= 495, 496, 497,
&end
#
# 19 ALA MB 35 THR MG2 3.50 (# 1416:20 Unique 2.36, 4.20 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 256, 257, 258,
igr2= 495, 496, 497,
&end
#
# 6 LEU HB- 35 THR MG2 3.80 (# 1417:20 Unique 2.05, 3.42 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 80, 81,
igr2= 495, 496, 497,
&end
#
# 143 VAL HA 143 VAL MGY 3.50 (# 1418:20 Unique 2.20, 3.44 A)
&rst
ixpk= 1418, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 143 VAL HB 143 VAL MGY 2.80 (# 1419:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1419, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 139 LEU HG 143 VAL MGY 5.00 (# 1420:20 Unique 3.05, 4.62 A)
&rst
ixpk= 1420, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:1421 143 VAL MGY 5.50 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 413, 414, 415, 342, 343,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 146 LEU MDY 143 VAL MGY 5.50 (# 1422:20 Unique 2.31, 6.44 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:1423 22 LEU MDY 5.50 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1999,2000,1996,1997,1996,1997,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1424 22 LEU MDY 3.50 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 301,2050,2051,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 139 LEU HB+ 22 LEU MDY 4.50 (# 1425:20 Unique 2.40, 5.63 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2050,2051,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 LEU HB+ 22 LEU MDY 3.80 (# 1426:20 Unique 2.18, 3.28 A)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 135 ALA MB 22 LEU MDY 3.50 (# 1427:20 Unique 2.00, 3.97 A)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1986,1987,1988,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 LEU HB- 22 LEU MDY 3.50 (# 1428:20 Unique 2.18, 3.28 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 3.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1203,1204,1205,1207,1208,1209, 108, 109, 110,
igr2=1166,1167,1168,1170,1171,1172, 68, 69, 70,
&end
#
# 0 AMB 20-2:1430 80 LEU MDX 4.50 (# 1430:20 Single Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1138,1139,1201,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1431 80 LEU MDX 2.80 (# 1431:20 Single Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 662, 663, 664,1164,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1432 0 AMB 20-1:1432 3.50 (# 1432:20 Double Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1203,1204,1205,1207,1208,1209, 108, 109, 110,
igr2=1166,1167,1168,1170,1171,1172, 754, 755, 756, 758,
759, 760,
&end
#
# 109 LEU MDX 80 LEU MDY 4.50 (# 1433:20 Unique 2.05, 6.38 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1434 80 LEU MDX 4.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1135,1136,1135,1136,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU HB- 80 LEU MDX 3.50 (# 1435:20 Unique 2.00, 3.31 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1161,1162,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1436 11 THR MG2 3.50 (# 1436:20 Single Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 898, 899, 164,
igr2= 149, 150, 151,
&end
#
# 52 VAL HB 52 VAL MGY 3.00 (# 1437:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1437, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:1439 0 AMB 20-1:1439 3.50 (# 1439:20 Double Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1592,1593,1594,1596,1597,1598, 101, 102, 103,
igr2= 754, 755, 756, 758, 759, 760,1166,1167,1168,1170,
1171,1172,
&end
#
# 18 VAL HB 18 VAL MGY 3.00 (# 1440:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1440, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:1441 18 VAL MGY 3.50 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1310,1311, 774, 775,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 7 ILE HB 52 VAL MGX 3.50 (# 1443:20 Unique 2.00, 4.45 A)
&rst
ixpk= 1443, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:1445 52 VAL MGX 3.50 (# 1445:20 Single Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1592,1593,1594,1596,1597,1598, 101, 102, 103,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 7 ILE MD1 52 VAL MGX 3.50 (# 1446:20 Unique 1.98, 4.89 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 108, 109, 110,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 83 VAL HB 83 VAL MGY 3.00 (# 1447:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1447, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HB- 83 VAL MGY 4.50 (# 1448:20 Unique 1.98, 4.30 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1161,1162,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1449 83 VAL MGY 3.50 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 146 LEU HB- 146 LEU MDX 3.50 (# 1451:20 Unique 1.97, 3.21 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 146 LEU HB+ 146 LEU MDX 3.50 (# 1452:20 Unique 1.97, 3.21 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:1453 146 LEU MDX 2.80 (# 1453:20 Single Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 696, 697, 699, 700, 701,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 80 LEU HG 83 VAL MGY 4.50 (# 1455:20 Unique 3.95, 5.75 A)
&rst
ixpk= 1455, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1456 101 ALA MB 4.50 (# 1456:20 Single Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 878, 879, 880,1477,1478,1479,
igr2=1465,1466,1467,
&end
#
# 62 ILE HG1+ 101 ALA MB 4.50 (# 1457:20 Unique 1.99, 4.69 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 882, 883,
igr2=1465,1466,1467,
&end
#
# 89 GLY HA- 102 ILE MG2 4.50 (# 1458:20 Unique 2.28, 4.38 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1295,1296,
igr2=1477,1478,1479,
&end
#
# 99 CYS HB+ 102 ILE MG2 4.50 (# 1459:20 Unique 2.00, 4.51 A)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1447,1448,
igr2=1477,1478,1479,
&end
#
# 41 LEU MDX 72 ALA MB 3.50 (# 1460:20 Unique 2.16, 5.91 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1035,1036,1037,
&end
#
# 49 ILE HB 49 ILE MG2 3.00 (# 1461:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1461, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 692, 693, 694,
&end
#
# 0 AMB 20-2:1462 49 ILE MG2 4.50 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1217,1218, 696, 697,
igr2= 692, 693, 694,
&end
#
# 4 ILE MD1 49 ILE MG2 4.20 (# 1463:20 Unique 4.01, 6.86 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 56, 57, 58,
igr2= 692, 693, 694,
&end
#
# 146 LEU MDX 49 ILE MG2 4.20 (# 1464:20 Unique 1.97, 3.82 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 692, 693, 694,
&end
#
# 146 LEU MDY 49 ILE MG2 4.20 (# 1465:20 Unique 1.97, 3.82 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 692, 693, 694,
&end
#
# 123 ILE MG2 125 ILE MG2 4.50 (# 1466:20 Unique 2.11, 5.24 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1802,1803,1804,
igr2=1835,1836,1837,
&end
#
# 125 ILE HB 125 ILE MG2 3.00 (# 1467:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1467, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1835,1836,1837,
&end
#
# 109 LEU HB+ 114 ALA MB 5.50 (# 1468:20 Unique 3.19, 5.26 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1587,1588,
igr2=1660,1661,1662,
&end
#
# 83 VAL HB 114 ALA MB 3.20 (# 1469:20 Unique 1.97, 2.97 A)
&rst
ixpk= 1469, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1660,1661,1662,
&end
#
# 83 VAL MGX 114 ALA MB 3.50 (# 1470:20 Unique 2.27, 5.01 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1660,1661,1662,
&end
#
# 83 VAL HB 83 VAL MGX 3.00 (# 1471:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1471, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 114 ALA MB 83 VAL MGX 3.50 (# 1472:20 Unique 2.27, 5.01 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1660,1661,1662,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1474 0 AMB 20-1:1474 2.80 (# 1474:20 Double Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1313,1314,1315, 777, 778, 779,
igr2= 194, 195, 196, 256, 257, 258,
&end
#
# 130 ILE HB 130 ILE MG2 3.00 (# 1475:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1475, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:1476 29 ALA MB 3.50 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,2055,2056,2057,2059,2060,2061,
igr2= 413, 414, 415,
&end
#
# 26 LEU MDY 29 ALA MB 4.50 (# 1477:20 Unique 4.77, 7.50 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 369, 370, 371, 373, 374, 375,
igr2= 413, 414, 415,
&end
#
# 0 AMB 20-2:1478 135 ALA MB 3.50 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
igr2=1986,1987,1988,
&end
#
# 0 AMB 20-2:1479 135 ALA MB 2.80 (# 1479:20 Single Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 303, 304, 305, 307, 308, 309, 242, 243, 244, 246,
247, 248,
igr2=1986,1987,1988,
&end
#
# 0 AMB 20-2:1480 135 ALA MB 4.50 (# 1480:20 Single Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
igr2=1986,1987,1988,
&end
#
# 35 THR MG2 19 ALA MB 3.50 (# 1481:20 Unique 2.36, 4.20 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496, 497,
igr2= 256, 257, 258,
&end
#
# 121 LEU MDY 135 ALA MB 4.50 (# 1482:20 Unique 2.58, 5.61 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1986,1987,1988,
&end
#
# 80 LEU MDX 46 ALA MB 4.50 (# 1483:20 Unique 1.99, 5.02 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1166,1167,1168,1170,1171,1172,
igr2= 662, 663, 664,
&end
#
# 0 AMB 20-2:1484 23 ALA MB 2.80 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 317, 318, 319,
&end
#
# 83 VAL MGY 46 ALA MB 5.50 (# 1485:20 Unique 3.48, 6.20 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 662, 663, 664,
&end
#
# 4 ILE MD1 4 ILE MG2 3.50 (# 1486:20 Unique 2.04, 3.38 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 56, 57, 58,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:1487 62 ILE MG2 3.50 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788, 892, 893,
igr2= 878, 879, 880,
&end
#
# 62 ILE MD1 62 ILE MG2 3.50 (# 1488:20 Unique 2.04, 3.59 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 885, 886, 887,
igr2= 878, 879, 880,
&end
#
# 0 AMB 20-2:1489 7 ILE MG2 4.50 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 127, 128, 709, 710,
igr2= 101, 102, 103,
&end
#
# 123 ILE HB 123 ILE MG2 3.00 (# 1490:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1490, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1802,1803,1804,
&end
#
# 51 LEU MDX 53 ILE MD1 4.50 (# 1491:20 Unique 2.00, 4.83 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:1492 88 ILE MG2 3.50 (# 1492:20 Single Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 774, 775,1278,1310,1311,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:1493 88 ILE MG2 2.80 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1313,1314,1315, 242, 243, 244, 246, 247, 248, 774,
775,1809,1810,1811,
igr2=1280,1281,1282,
&end
#
# 19 ALA MB 53 ILE MD1 3.50 (# 1494:20 Unique 1.99, 3.72 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 256, 257, 258,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:1495 53 ILE MD1 3.50 (# 1495:20 Single Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 774, 775, 80, 81,
igr2= 777, 778, 779,
&end
#
# 51 LEU HG 53 ILE MD1 3.20 (# 1496:20 Unique 1.98, 2.86 A)
&rst
ixpk= 1496, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 777, 778, 779,
&end
#
# 6 LEU MDX 53 ILE MD1 3.50 (# 1497:20 Unique 2.08, 4.66 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 777, 778, 779,
&end
#
# 121 LEU MDX 88 ILE MG2 4.50 (# 1498:20 Unique 2.00, 5.52 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1280,1281,1282,
&end
#
# 50 TRP HB+ 7 ILE MD1 3.80 (# 1499:20 Unique 2.08, 3.37 A)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 709, 710,
igr2= 108, 109, 110,
&end
#
# 7 ILE HB 7 ILE MD1 3.50 (# 1500:20 Unique 2.20, 3.12 A)
&rst
ixpk= 1500, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1501 7 ILE MD1 2.80 (# 1501:20 Single Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1502 7 ILE MD1 3.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 754, 755, 756, 758, 759, 760, 68, 69, 70,
igr2= 108, 109, 110,
&end
#
# 7 ILE HG1+ 7 ILE MD1 3.00 (# 1503:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 105, 106,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1504 7 ILE MD1 2.80 (# 1504:20 Single Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 101, 102, 103, 634, 635, 636, 638, 639, 640,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1505 102 ILE MD1 2.80 (# 1505:20 Single Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1268,1269,1270,1481,1482,
igr2=1484,1485,1486,
&end
#
# 53 ILE HG1- 88 ILE MD1 4.20 (# 1507:20 Unique 1.99, 3.73 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 774, 775,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1508 88 ILE MD1 2.80 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 774, 775,1809,1810,1811, 303, 304, 305, 307, 308,
309, 242, 243, 244, 246, 247, 248,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1509 88 ILE MD1 3.50 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 738, 739, 740, 742, 743, 744,1284,1285,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1510 88 ILE MD1 3.50 (# 1510:20 Single Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1764,1765,1766,1768,1769,1770,1280,1281,1282,
igr2=1287,1288,1289,
&end
#
# 125 ILE HG1+ 125 ILE MD1 3.00 (# 1511:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1839,1840,
igr2=1842,1843,1844,
&end
#
# 125 ILE HB 125 ILE MD1 3.80 (# 1512:20 Unique 2.04, 3.31 A)
&rst
ixpk= 1512, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:1513 0 AMB 20-1:1513 2.80 (# 1513:20 Double Ambig)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1310,1311,1304,
igr2=1809,1810,1811,1313,1314,1315,
&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= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1306,1307,1308,1762,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 49 ILE HB 49 ILE MD1 3.30 (# 1515:20 Unique 2.05, 2.90 A)
&rst
ixpk= 1515, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 699, 700, 701,
&end
#
# 49 ILE HG1- 49 ILE MD1 2.80 (# 1516:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 696, 697,
igr2= 699, 700, 701,
&end
#
# 146 LEU MDX 49 ILE MD1 4.50 (# 1517:20 Unique 2.04, 4.86 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 699, 700, 701,
&end
#
# 146 LEU MDY 49 ILE MD1 4.50 (# 1518:20 Unique 2.04, 4.86 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 699, 700, 701,
&end
#
# 123 ILE HB 0 AMB 20-1:1519 3.50 (# 1519:20 Single Ambig)
&rst
ixpk= 1519, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 0 AMB 20-2:1520 0 AMB 20-1:1520 3.50 (# 1520:20 Double Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1806,1807,1806,1807,1918,1919,
igr2=1809,1810,1811,1313,1314,1315,
&end
#
# 0 AMB 20-2:1521 0 AMB 20-1:1521 3.50 (# 1521:20 Double Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1280,1281,1282,1764,1765,1766,1768,1769,1770,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 4 ILE HB 4 ILE MD1 3.50 (# 1522:20 Unique 2.61, 3.33 A)
&rst
ixpk= 1522, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 56, 57, 58,
&end
#
# 4 ILE HG1+ 4 ILE MD1 3.00 (# 1523:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 53, 54,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:1524 4 ILE MD1 3.50 (# 1524:20 Single Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 53, 54,2113,2114,2115,2117,2118,2119,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:1525 4 ILE MD1 2.80 (# 1525:20 Single Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 49, 50, 51, 369, 370, 371, 373, 374, 375,
igr2= 56, 57, 58,
&end
#
# 146 LEU MDY 4 ILE MD1 3.50 (# 1526:20 Unique 2.36, 5.06 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 56, 57, 58,
&end
#
# 31 PHE HB- 4 ILE MD1 4.30 (# 1527:20 Unique 2.43, 3.82 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 430, 431,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:1528 62 ILE MD1 4.50 (# 1528:20 Single Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1515,1516,1515,1516,
igr2= 885, 886, 887,
&end
#
# 105 LEU HG 62 ILE MD1 3.50 (# 1529:20 Unique 2.00, 3.44 A)
&rst
ixpk= 1529, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:1530 62 ILE MD1 3.50 (# 1530:20 Single Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876,1512,1513,
igr2= 885, 886, 887,
&end
#
# 62 ILE HG1- 62 ILE MD1 3.00 (# 1531:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 882, 883,
igr2= 885, 886, 887,
&end
#
# 62 ILE MG2 62 ILE MD1 3.50 (# 1532:20 Unique 2.04, 3.59 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 878, 879, 880,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:1533 62 ILE MD1 3.50 (# 1533:20 Single Ambig)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1533,1534,1535,1537,1538,1539, 882, 883,
igr2= 885, 886, 887,
&end
#
# 130 ILE HB 130 ILE MD1 3.30 (# 1534:20 Unique 2.05, 2.98 A)
&rst
ixpk= 1534, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:1535 130 ILE MD1 3.50 (# 1535:20 Single Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1918,1919,1806,1807,
igr2=1921,1922,1923,
&end
#
# 130 ILE HG1- 130 ILE MD1 3.00 (# 1536:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1918,1919,
igr2=1921,1922,1923,
&end
#
# 11 THR HB 11 THR HA 3.20 (# 1542:20 Unique 2.26, 2.78 A)
&rst
ixpk= 1542, nxpk= 20, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 109 LEU HA 112 SER HB- 5.50 (# 1547:20 Unique 3.89, 5.13 A)
&rst
ixpk= 1547, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1642,1643,
&end
#
# 68 PRO HD+ 67 SER HB+ 3.50 (# 1548:20 Unique 1.89, 3.07 A)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 962, 963,
igr2= 954, 955,
&end
#
# 68 PRO HD+ 67 SER HB- 3.50 (# 1549:20 Unique 1.89, 3.07 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 962, 963,
igr2= 954, 955,
&end
#
# 0 AMB 20-2:1550 81 SER HA 2.80 (# 1550:20 Single Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1180,1181,1180,1181,
&end
#
# 138 TRP HB- 138 TRP HA 3.30 (# 1551:20 Unique 2.36, 2.81 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2026,2027,
&end
#
# 138 TRP HB+ 138 TRP HA 3.30 (# 1552:20 Unique 2.36, 2.81 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2026,2027,
&end
#
# 69 PHE HB- 69 PHE HA 3.30 (# 1553:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 979, 980,
&end
#
# 0 AMB 20-2:1554 141 SER HA 2.80 (# 1554:20 Single Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2076,2077,2076,2077,
&end
#
# 21 HIS HB+ 21 HIS HA 3.30 (# 1555:20 Unique 2.40, 2.79 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 281, 282,
&end
#
# 63 PRO HD+ 62 ILE HA 2.80 (# 1556:20 Unique 2.16, 2.34 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 892, 893,
&end
#
# 63 PRO HD- 62 ILE HA 2.80 (# 1557:20 Unique 2.16, 2.34 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 892, 893,
&end
#
# 78 PRO HD+ 73 LEU HA 3.80 (# 1558:20 Unique 2.93, 3.52 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1132,1133,
&end
#
# 3 ASP HB- 3 ASP HA 3.30 (# 1561:20 Unique 2.47, 2.82 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 35, 36,
&end
#
# 0 AMB 20-2:1562 47 SER HA 2.80 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 672, 673, 672, 673,
&end
#
# 0 AMB 20-2:1563 77 LYS HA 3.50 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1132,1133,1642,1643,
&end
#
# 45 PRO HD+ 44 LEU HA 2.80 (# 1564:20 Unique 1.91, 2.18 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 645, 646,
&end
#
# 45 PRO HD- 44 LEU HA 2.80 (# 1565:20 Unique 1.91, 2.18 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 645, 646,
&end
#
# 62 ILE HA 63 PRO HD+ 2.80 (# 1567:20 Unique 2.16, 2.34 A)
&rst
ixpk= 1567, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 892, 893,
&end
#
# 0 AMB 20-2:1569 0 AMB 20-1:1569 4.50 (# 1569:20 Double Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 118, 119,1585,
igr2= 547, 548,1132,1133,
&end
#
# 67 SER HB- 68 PRO HD+ 3.50 (# 1573:20 Unique 1.89, 3.07 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 954, 955,
igr2= 962, 963,
&end
#
# 67 SER HB- 68 PRO HD- 3.50 (# 1574:20 Unique 1.89, 3.07 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 954, 955,
igr2= 962, 963,
&end
#
# 93 ARG HA 0 AMB 20-1:1591 4.50 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1347,1348,1347,1348,
&end
#
# 70 TYR HA 70 TYR HB- 3.20 (# 1593:20 Unique 2.32, 2.70 A)
&rst
ixpk= 1593, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 999,1000,
&end
#
# 35 THR HA 35 THR HB 3.25 (# 1604:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1604, nxpk= 20, iat= 491, 493, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 47 SER HA 47 SER HB- 2.80 (# 1608:20 Unique 2.27, 2.47 A)
&rst
ixpk= 1608, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 672, 673,
&end
#
# 47 SER HA 47 SER HB+ 2.80 (# 1609:20 Unique 2.27, 2.47 A)
&rst
ixpk= 1609, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 672, 673,
&end
#
# 112 SER HA 112 SER HB- 3.00 (# 1610:20 Unique 2.24, 2.61 A)
&rst
ixpk= 1610, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1642,1643,
&end
#
# 81 SER HA 81 SER HB- 3.10 (# 1614:20 Unique 2.28, 2.77 A)
&rst
ixpk= 1614, nxpk= 20, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1180,1181,
&end
#
# 141 SER HA 141 SER HB- 2.80 (# 1616:20 Unique 2.25, 2.49 A)
&rst
ixpk= 1616, nxpk= 20, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2076,2077,
&end
#
# 81 SER HA 81 SER HB+ 3.20 (# 1617:20 Unique 2.28, 2.77 A)
&rst
ixpk= 1617, nxpk= 20, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1180,1181,
&end
#
# 141 SER HA 141 SER HB+ 2.80 (# 1618:20 Unique 2.25, 2.49 A)
&rst
ixpk= 1618, nxpk= 20, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2076,2077,
&end
#
# 118 GLY HA+ 141 SER HB+ 4.50 (# 1619:20 Unique 4.10, 5.34 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1721,1722,
igr2=2076,2077,
&end
#
# 67 SER HA 67 SER HB- 3.00 (# 1621:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1621, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 954, 955,
&end
#
# 0 AMB 20-2:1624 0 AMB 20-1:1624 3.50 (# 1624:20 Double Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 97,1640,
igr2= 547, 548,1132,1133,
&end
#
# 77 LYS HA 78 PRO HD- 2.80 (# 1626:20 Unique 1.96, 2.41 A)
&rst
ixpk= 1626, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1132,1133,
&end
#
# 77 LYS HA 78 PRO HD+ 2.80 (# 1627:20 Unique 1.96, 2.41 A)
&rst
ixpk= 1627, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1132,1133,
&end
#
# 44 LEU HA 45 PRO HD+ 2.80 (# 1628:20 Unique 1.91, 2.18 A)
&rst
ixpk= 1628, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 645, 646,
&end
#
# 44 LEU HA 45 PRO HD- 2.80 (# 1629:20 Unique 1.91, 2.18 A)
&rst
ixpk= 1629, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 645, 646,
&end
#
# 3 ASP HA 3 ASP HB+ 3.20 (# 1646:20 Unique 2.47, 2.82 A)
&rst
ixpk= 1646, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 35, 36,
&end
#
# 3 ASP HA 3 ASP HB- 3.20 (# 1647:20 Unique 2.47, 2.82 A)
&rst
ixpk= 1647, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 35, 36,
&end
#
# 43 ASP HA 0 AMB 20-1:1648 3.50 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 617, 618, 617, 618,
&end
#
# 0 AMB 20-2:1649 31 PHE HB- 4.50 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 428,
igr2= 430, 431,
&end
#
# 129 ASP HA 0 AMB 20-1:1650 2.80 (# 1650:20 Single Ambig)
&rst
ixpk= 1650, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1900,1901,1900,1901,
&end
#
# 0 AMB 20-2:1651 0 AMB 20-1:1651 3.50 (# 1651:20 Double Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1378, 952,
igr2=1380,1381, 999,1000,
&end
#
# 79 ASP HA 79 ASP HB+ 3.20 (# 1652:20 Unique 2.28, 2.74 A)
&rst
ixpk= 1652, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1149,1150,
&end
#
# 79 ASP HA 79 ASP HB- 3.20 (# 1653:20 Unique 2.28, 2.74 A)
&rst
ixpk= 1653, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1149,1150,
&end
#
# 103 ASP HA 103 ASP HB- 3.20 (# 1654:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1654, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1494,1495,
&end
#
# 103 ASP HA 103 ASP HB+ 3.20 (# 1655:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1655, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1494,1495,
&end
#
# 69 PHE HA 69 PHE HB- 3.20 (# 1656:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1656, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 979, 980,
&end
#
# 144 ASN HA 144 ASN HB+ 3.20 (# 1657:20 Unique 2.45, 2.81 A)
&rst
ixpk= 1657, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2127,2128,
&end
#
# 144 ASN HA 144 ASN HB- 3.20 (# 1659:20 Unique 2.45, 2.81 A)
&rst
ixpk= 1659, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2127,2128,
&end
#
# 111 ASN HA 111 ASN HB- 3.20 (# 1660:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1660, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1628,1629,
&end
#
# 108 GLU HA 111 ASN HB- 2.80 (# 1661:20 Unique 1.89, 2.41 A)
&rst
ixpk= 1661, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1628,1629,
&end
#
# 108 GLU HA 111 ASN HB- 2.80 (# 1662:20 Unique 1.89, 2.41 A)
&rst
ixpk= 1662, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1628,1629,
&end
#
# 111 ASN HA 111 ASN HB+ 3.20 (# 1663:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1663, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1628,1629,
&end
#
# 108 GLU HA 111 ASN HB+ 2.80 (# 1664:20 Unique 1.89, 2.41 A)
&rst
ixpk= 1664, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1628,1629,
&end
#
# 17 TYR HA 17 TYR HB+ 3.20 (# 1665:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1665, nxpk= 20, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 219, 220,
&end
#
# 17 TYR HA 17 TYR HB- 3.20 (# 1666:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1666, nxpk= 20, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 219, 220,
&end
#
# 65 ASN HA 65 ASN HB- 3.20 (# 1667:20 Unique 2.26, 2.82 A)
&rst
ixpk= 1667, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 921, 922,
&end
#
# 65 ASN HA 65 ASN HB+ 3.20 (# 1668:20 Unique 2.26, 2.82 A)
&rst
ixpk= 1668, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 921, 922,
&end
#
# 138 TRP HA 138 TRP HB+ 3.20 (# 1669:20 Unique 2.36, 2.81 A)
&rst
ixpk= 1669, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2026,2027,
&end
#
# 105 LEU HB+ 102 ILE MD1 4.50 (# 1670:20 Unique 1.98, 4.11 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1528,1529,
igr2=1484,1485,1486,
&end
#
# 32 THR HB 2 ALA HA 2.80 (# 1671:20 Unique 2.00, 2.54 A)
&rst
ixpk= 1671, nxpk= 20, iat= 450, 23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 GLU HB- 2 ALA MB 3.50 (# 1672:20 Unique 2.98, 4.26 A)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 478, 479,
igr2= 25, 26, 27,
&end
#
# 34 GLU HB+ 2 ALA MB 3.50 (# 1673:20 Unique 2.98, 4.26 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 478, 479,
igr2= 25, 26, 27,
&end
#
# 4 ILE HN 3 ASP HA 4.00 (# 1674:20 Unique 3.51, 3.52 A)
&rst
ixpk= 1674, nxpk= 20, iat= 43, 33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PHE HD 3 ASP HB- 5.50 (# 1675:20 Unique 2.86, 4.91 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 434, 442,
igr2= 35, 36,
&end
#
# 4 ILE HN 3 ASP HB+ 3.50 (# 1676:20 Unique 2.60, 3.18 A)
&rst
ixpk= 1676, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 4 ILE HN 3 ASP HB- 3.50 (# 1677:20 Unique 2.60, 3.18 A)
&rst
ixpk= 1677, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 3 ASP HN 3 ASP HB- 3.50 (# 1678:20 Unique 2.92, 3.28 A)
&rst
ixpk= 1678, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 3 ASP HN 3 ASP HB+ 3.50 (# 1679:20 Unique 2.92, 3.28 A)
&rst
ixpk= 1679, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 32 THR HN 3 ASP HB- 3.30 (# 1680:20 Unique 1.95, 2.94 A)
&rst
ixpk= 1680, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 35, 36,
&end
#
# 32 THR HN 3 ASP HB+ 3.30 (# 1681:20 Unique 1.95, 2.94 A)
&rst
ixpk= 1681, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 35, 36,
&end
#
# 33 THR MG2 4 ILE HB 3.20 (# 1682:20 Unique 1.99, 2.78 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 466, 467, 468,
&end
#
# 4 ILE HA 4 ILE HG1+ 3.50 (# 1683:20 Unique 2.64, 3.16 A)
&rst
ixpk= 1683, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 53, 54,
&end
#
# 4 ILE HA 4 ILE HG1- 3.50 (# 1684:20 Unique 2.64, 3.16 A)
&rst
ixpk= 1684, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 53, 54,
&end
#
# 4 ILE MG2 4 ILE HG1+ 4.00 (# 1685:20 Unique 2.55, 3.58 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 49, 50, 51,
igr2= 53, 54,
&end
#
# 4 ILE MD1 4 ILE HG1- 3.00 (# 1686:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 56, 57, 58,
igr2= 53, 54,
&end
#
# 49 ILE HB 4 ILE HG1- 5.50 (# 1687:20 Unique 3.74, 5.30 A)
&rst
ixpk= 1687, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 53, 54,
&end
#
# 0 AMB 20-2:1688 4 ILE MD1 2.80 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 369, 370, 371, 373, 374, 375, 699, 700, 701,
igr2= 56, 57, 58,
&end
#
# 26 LEU HB+ 4 ILE MD1 4.30 (# 1689:20 Unique 1.96, 3.90 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 364, 365,
igr2= 56, 57, 58,
&end
#
# 49 ILE HB 4 ILE MD1 5.50 (# 1690:20 Unique 3.64, 5.65 A)
&rst
ixpk= 1690, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 56, 57, 58,
&end
#
# 31 PHE HB+ 4 ILE MD1 4.50 (# 1691:20 Unique 2.43, 3.82 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 430, 431,
igr2= 56, 57, 58,
&end
#
# 31 PHE HD 4 ILE MD1 4.50 (# 1693:20 Unique 2.64, 4.84 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 434, 442,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:1695 4 ILE MG2 3.50 (# 1695:20 Single Ambig)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 364, 365, 466, 467, 468,
igr2= 49, 50, 51,
&end
#
# 4 ILE HG1+ 4 ILE MG2 3.50 (# 1696:20 Unique 2.55, 3.58 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 53, 54,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:1697 4 ILE MG2 4.50 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 317, 318, 319, 83,
igr2= 49, 50, 51,
&end
#
# 4 ILE HB 4 ILE MG2 3.00 (# 1698:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1698, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:1699 4 ILE MG2 4.50 (# 1699:20 Single Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 733, 734, 478, 479,
igr2= 49, 50, 51,
&end
#
# 6 LEU HA 4 ILE MG2 5.50 (# 1700:20 Unique 4.47, 5.56 A)
&rst
ixpk= 1700, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 49, 50, 51,
&end
#
# 50 TRP HA 4 ILE MG2 4.80 (# 1701:20 Unique 2.95, 4.39 A)
&rst
ixpk= 1701, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 49, 50, 51,
&end
#
# 51 LEU HN 4 ILE MG2 5.50 (# 1702:20 Unique 4.07, 5.44 A)
&rst
ixpk= 1702, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 49, 50, 51,
&end
#
# 51 LEU MDY 4 ILE MG2 4.50 (# 1703:20 Unique 4.98, 7.27 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 49, 50, 51,
&end
#
# 49 ILE HB 4 ILE MG2 4.80 (# 1704:20 Unique 2.45, 4.24 A)
&rst
ixpk= 1704, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 49, 50, 51,
&end
#
# 6 LEU HN 4 ILE MG2 5.50 (# 1705:20 Unique 4.77, 6.02 A)
&rst
ixpk= 1705, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 49, 50, 51,
&end
#
# 50 TRP HA 5 THR HB 4.50 (# 1706:20 Unique 3.96, 4.17 A)
&rst
ixpk= 1706, nxpk= 20, iat= 707, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 2.80 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 512, 513, 514, 516, 517, 518,1050,1051,1052,1054,
1055,1056,
igr2= 68, 69, 70,1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1708 0 AMB 20-1:1708 5.50 (# 1708:20 Double Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1135,1136,1135,1136, 478, 479,
igr2=1166,1167,1168,1170,1171,1172, 68, 69, 70,
&end
#
# 34 GLU HG- 5 THR MG2 4.50 (# 1709:20 Unique 2.41, 4.71 A)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 481, 482,
igr2= 68, 69, 70,
&end
#
# 45 PRO HD- 0 AMB 20-1:1710 5.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 645, 646,
igr2= 68, 69, 70,1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1711 0 AMB 20-1:1711 4.50 (# 1711:20 Double Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1132,1133,2076,2077, 645, 646,
igr2=1166,1167,1168,1170,1171,1172,2146,2147,2148,2150,
2151,2152, 68, 69, 70,
&end
#
# 0 AMB 20-2:1712 0 AMB 20-1:1712 5.50 (# 1712:20 Double Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2074,2125,1604,
igr2=2146,2147,2148,2150,2151,2152,1166,1167,1168,1170,
1171,1172,
&end
#
# 118 GLY HN 145 LEU MDX 5.50 (# 1713:20 Unique 2.35, 4.91 A)
&rst
ixpk= 1713, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 51 LEU HB- 6 LEU HA 3.80 (# 1714:20 Unique 2.44, 3.35 A)
&rst
ixpk= 1714, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 733, 734,
&end
#
# 6 LEU HA 6 LEU HB+ 3.50 (# 1715:20 Unique 2.29, 2.80 A)
&rst
ixpk= 1715, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 6 LEU HA 6 LEU HB- 3.30 (# 1716:20 Unique 2.29, 2.80 A)
&rst
ixpk= 1716, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 80, 81,
&end
#
# 35 THR HA 6 LEU HB+ 3.20 (# 1717:20 Unique 1.99, 2.71 A)
&rst
ixpk= 1717, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 80, 81,
&end
#
# 35 THR HA 6 LEU HB- 3.20 (# 1718:20 Unique 1.99, 2.71 A)
&rst
ixpk= 1718, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:1719 6 LEU HB- 7.00 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 495, 496, 497, 738, 739, 740, 742, 743, 744,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:1720 0 AMB 20-1:1720 5.50 (# 1720:20 Double Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 495, 496, 497, 738, 739, 740, 742, 743, 744,
igr2= 80, 81, 80, 81,
&end
#
# 6 LEU HN 6 LEU HB+ 3.20 (# 1721:20 Unique 2.07, 2.72 A)
&rst
ixpk= 1721, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 80, 81,
&end
#
# 6 LEU HN 6 LEU HB- 3.20 (# 1722:20 Unique 2.07, 2.72 A)
&rst
ixpk= 1722, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:1723 6 LEU HG 4.50 (# 1723:20 Single Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 495, 496, 497, 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1724 6 LEU HG 4.50 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 298, 299, 733, 734, 466, 467, 468, 736,
&end
#
# 0 AMB 20-2:1725 6 LEU HG 4.50 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 733, 734, 478, 479,
&end
#
# 6 LEU HB+ 6 LEU MDX 3.50 (# 1726:20 Unique 1.99, 3.45 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1727 6 LEU MDX 2.80 (# 1727:20 Single Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 317, 318, 319, 83,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB- 6 LEU MDX 3.50 (# 1728:20 Unique 1.99, 3.45 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1729 6 LEU MDX 3.50 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 733, 734, 466, 467, 468, 736,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1730 6 LEU MDX 3.50 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 738, 739, 740, 742, 743, 744, 495, 496, 497,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 53 ILE MD1 6 LEU MDX 3.50 (# 1731:20 Unique 2.08, 4.66 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 777, 778, 779,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HA 6 LEU MDX 3.50 (# 1732:20 Unique 2.05, 3.19 A)
&rst
ixpk= 1732, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1733 6 LEU MDY 4.50 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 738, 739, 740, 742, 743, 744, 495, 496, 497,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB- 6 LEU MDY 3.50 (# 1734:20 Unique 1.99, 3.45 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 4 ILE HB 6 LEU MDY 3.50 (# 1735:20 Unique 3.77, 5.98 A)
&rst
ixpk= 1735, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 35 THR HA 6 LEU MDY 5.50 (# 1736:20 Unique 2.26, 5.28 A)
&rst
ixpk= 1736, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HA 6 LEU MDY 3.50 (# 1737:20 Unique 2.05, 3.19 A)
&rst
ixpk= 1737, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 33 THR HA 6 LEU MDY 5.50 (# 1738:20 Unique 3.15, 6.68 A)
&rst
ixpk= 1738, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1739 0 AMB 20-1:1739 5.50 (# 1739:20 Double Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1116,1117, 99,
igr2=1640, 97,
&end
#
# 0 AMB 20-2:1740 7 ILE HA 4.50 (# 1740:20 Single Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 105, 106, 507, 508,
&end
#
# 0 AMB 20-2:1741 0 AMB 20-1:1741 3.50 (# 1741:20 Double Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1642,1643, 547, 548,
igr2=1640, 97,
&end
#
# 112 SER HB+ 112 SER HA 2.80 (# 1742:20 Unique 2.24, 2.61 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1642,1643,
&end
#
# 7 ILE HG1+ 7 ILE HB 3.10 (# 1743:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 105, 106,
&end
#
# 7 ILE HB 7 ILE HG1+ 3.10 (# 1744:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1744, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 105, 106,
&end
#
# 7 ILE HA 7 ILE HG1+ 3.50 (# 1745:20 Unique 2.15, 2.70 A)
&rst
ixpk= 1745, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 7 ILE HA 7 ILE HG1- 3.10 (# 1746:20 Unique 2.15, 2.70 A)
&rst
ixpk= 1746, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:1747 0 AMB 20-1:1747 5.50 (# 1747:20 Double Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:1748 7 ILE HG1- 4.50 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
igr2= 105, 106,
&end
#
# 44 LEU HG 7 ILE MD1 4.80 (# 1749:20 Unique 2.92, 4.36 A)
&rst
ixpk= 1749, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 108, 109, 110,
&end
#
# 50 TRP HB- 7 ILE MD1 3.80 (# 1750:20 Unique 2.08, 3.37 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 709, 710,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1751 7 ILE MD1 5.80 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 562, 491,
igr2= 108, 109, 110,
&end
#
# 51 LEU HN 7 ILE MD1 5.20 (# 1752:20 Unique 2.77, 4.73 A)
&rst
ixpk= 1752, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 108, 109, 110,
&end
#
# 7 ILE MD1 7 ILE MG2 3.50 (# 1753:20 Unique 1.96, 3.71 A)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 108, 109, 110,
igr2= 101, 102, 103,
&end
#
# 7 ILE HG1+ 7 ILE MG2 3.50 (# 1754:20 Unique 2.00, 3.47 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 106,
igr2= 101, 102, 103,
&end
#
# 66 LEU MDY 7 ILE MG2 3.50 (# 1755:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1756 7 ILE MG2 3.50 (# 1756:20 Single Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 105, 106, 754, 755, 756, 758, 759, 760,
igr2= 101, 102, 103,
&end
#
# 7 ILE HB 7 ILE MG2 3.00 (# 1757:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1757, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 101, 102, 103,
&end
#
# 44 LEU HG 7 ILE MG2 5.50 (# 1758:20 Unique 4.52, 6.04 A)
&rst
ixpk= 1758, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1759 7 ILE MG2 3.50 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 940, 941, 942, 944, 945, 946, 754, 755, 756, 758,
759, 760,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1760 7 ILE MG2 5.50 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 926, 927, 713,
igr2= 101, 102, 103,
&end
#
# 7 ILE HN 7 ILE MG2 5.00 (# 1761:20 Unique 4.23, 4.55 A)
&rst
ixpk= 1761, nxpk= 20, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 101, 102, 103,
&end
#
# 53 ILE HN 7 ILE MG2 4.20 (# 1762:20 Unique 2.47, 3.85 A)
&rst
ixpk= 1762, nxpk= 20, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 101, 102, 103,
&end
#
# 52 VAL HA 7 ILE MG2 3.80 (# 1763:20 Unique 1.98, 3.26 A)
&rst
ixpk= 1763, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 101, 102, 103,
&end
#
# 53 ILE MD1 8 SER HA 4.00 (# 1764:20 Unique 2.26, 3.53 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 777, 778, 779,
&end
#
# 53 ILE HB 8 SER HA 3.30 (# 1765:20 Unique 2.42, 2.91 A)
&rst
ixpk= 1765, nxpk= 20, iat= 768, 116, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:1766 8 SER HA 5.50 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 256, 257, 258, 194, 195, 196,
&end
#
# 8 SER HN 8 SER HA 3.30 (# 1767:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1767, nxpk= 20, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 53 ILE HN 8 SER HA 4.30 (# 1768:20 Unique 3.62, 3.87 A)
&rst
ixpk= 1768, nxpk= 20, iat= 764, 116, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 GLY HN 8 SER HB- 4.30 (# 1773:20 Unique 3.10, 3.78 A)
&rst
ixpk= 1773, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 118, 119,
&end
#
# 18 VAL HN 18 VAL HA 4.30 (# 1774:20 Unique 2.75, 2.81 A)
&rst
ixpk= 1774, nxpk= 20, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 20-2:1775 0 AMB 20-1:1775 4.50 (# 1775:20 Double Ambig)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 252, 132,
igr2= 238, 118, 119,
&end
#
# 66 LEU HB+ 9 GLY HA+ 4.50 (# 1777:20 Unique 2.01, 4.25 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 935, 936,
igr2= 127, 128,
&end
#
# 66 LEU HB- 9 GLY HA+ 4.50 (# 1778:20 Unique 2.01, 4.25 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 935, 936,
igr2= 127, 128,
&end
#
# 66 LEU MDY 9 GLY HA- 4.00 (# 1779:20 Unique 1.98, 3.49 A)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 127, 128,
&end
#
# 9 GLY HN 9 GLY HA- 3.30 (# 1780:20 Unique 2.59, 2.79 A)
&rst
ixpk= 1780, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 127, 128,
&end
#
# 10 SER HN 9 GLY HA- 3.30 (# 1781:20 Unique 2.25, 2.94 A)
&rst
ixpk= 1781, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 127, 128,
&end
#
# 10 SER HN 9 GLY HA+ 3.30 (# 1782:20 Unique 2.25, 2.94 A)
&rst
ixpk= 1782, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 127, 128,
&end
#
# 9 GLY HN 9 GLY HA+ 3.30 (# 1783:20 Unique 2.59, 2.79 A)
&rst
ixpk= 1783, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 127, 128,
&end
#
# 10 SER HB+ 10 SER HA 3.00 (# 1785:20 Unique 2.24, 2.69 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 136, 137,
&end
#
# 11 THR HN 10 SER HA 2.80 (# 1786:20 Unique 2.14, 2.55 A)
&rst
ixpk= 1786, nxpk= 20, iat= 143, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1788 10 SER HB- 4.50 (# 1788:20 Single Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 207, 208, 207, 208,
igr2= 136, 137,
&end
#
# 0 AMB 20-2:1789 0 AMB 20-1:1789 5.50 (# 1789:20 Double Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 207, 208, 207, 208,
igr2= 136, 137, 136, 137,
&end
#
# 10 SER HA 10 SER HB+ 3.00 (# 1790:20 Unique 2.24, 2.69 A)
&rst
ixpk= 1790, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 136, 137,
&end
#
# 10 SER HA 10 SER HB- 3.00 (# 1791:20 Unique 2.24, 2.69 A)
&rst
ixpk= 1791, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 136, 137,
&end
#
# 55 SER HA 10 SER HB+ 6.00 (# 1792:20 Unique 3.60, 5.38 A)
&rst
ixpk= 1792, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 136, 137,
&end
#
# 0 AMB 20-2:1794 11 THR HA 5.50 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 207, 208, 207, 208, 898, 899,
&end
#
# 11 THR HA 11 THR HB 3.20 (# 1796:20 Unique 2.26, 2.78 A)
&rst
ixpk= 1796, nxpk= 20, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:1797 11 THR HB 5.50 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 164, 898, 899,
&end
#
# 11 THR HN 11 THR HB 3.80 (# 1798:20 Unique 2.50, 3.31 A)
&rst
ixpk= 1798, nxpk= 20, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 LEU HN 11 THR HA 3.80 (# 1799:20 Unique 3.47, 3.54 A)
&rst
ixpk= 1799, nxpk= 20, iat= 157, 145, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 LEU HA 11 THR MG2 5.50 (# 1800:20 Unique 3.52, 5.73 A)
&rst
ixpk= 1800, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 149, 150, 151,
&end
#
# 12 LEU HN 11 THR MG2 5.00 (# 1802:20 Unique 1.87, 4.51 A)
&rst
ixpk= 1802, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 149, 150, 151,
&end
#
# 12 LEU MDX 12 LEU HA 4.50 (# 1803:20 Unique 2.18, 4.03 A)
&rst
ixpk= 1803, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:1804 12 LEU HA 4.50 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 164, 207, 208, 207, 208,
&end
#
# 12 LEU MDY 12 LEU HB- 3.80 (# 1805:20 Unique 2.03, 3.27 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 161, 162,
&end
#
# 12 LEU HA 12 LEU HB- 3.00 (# 1806:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1806, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 161, 162,
&end
#
# 41 LEU HA 0 AMB 20-1:1807 4.50 (# 1807:20 Single Ambig)
&rst
ixpk= 1807, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 629, 630, 583, 584,
&end
#
# 12 LEU HN 12 LEU HB- 3.50 (# 1808:20 Unique 2.55, 3.26 A)
&rst
ixpk= 1808, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:1809 0 AMB 20-1:1809 4.50 (# 1809:20 Double Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2160,2161,2141,2142,
igr2=1220,1221,1220,1221,
&end
#
# 0 AMB 20-2:1810 0 AMB 20-1:1810 4.50 (# 1810:20 Double Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 351, 352,1223,1224,
igr2= 348, 349, 348, 349,1220,1221,
&end
#
# 84 ARG HD- 84 ARG HG+ 3.10 (# 1811:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1223,1224,
igr2=1220,1221,
&end
#
# 41 LEU HN 41 LEU HG 4.20 (# 1812:20 Unique 3.06, 3.83 A)
&rst
ixpk= 1812, nxpk= 20, iat= 579, 586, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 ALA HN 12 LEU HG 7.00 (# 1813:20 Unique 5.53, 6.92 A)
&rst
ixpk= 1813, nxpk= 20, iat= 190, 164, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LEU HA 12 LEU HG 3.80 (# 1814:20 Unique 2.21, 3.29 A)
&rst
ixpk= 1814, nxpk= 20, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:1815 0 AMB 20-1:1815 5.50 (# 1815:20 Double Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1199, 178, 179,1642,1643,
igr2=1220,1221, 164, 586,
&end
#
# 12 LEU HA 12 LEU MDX 4.50 (# 1817:20 Unique 2.18, 4.03 A)
&rst
ixpk= 1817, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:1818 0 AMB 20-1:1818 2.80 (# 1818:20 Double Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 564, 565, 164,
igr2= 569, 570, 571, 573, 574, 575, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:1819 0 AMB 20-1:1819 3.50 (# 1819:20 Double Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 161, 162, 567,
igr2= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575,
&end
#
# 0 AMB 20-2:1820 0 AMB 20-1:1820 5.50 (# 1820:20 Double Ambig)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1048, 632, 895, 896,
igr2= 569, 570, 571, 573, 574, 575, 166, 167, 168, 170,
171, 172,
&end
#
# 12 LEU HN 12 LEU MDY 4.80 (# 1822:20 Unique 2.62, 4.24 A)
&rst
ixpk= 1822, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 14 GLY HN 14 GLY HA- 3.00 (# 1824:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1824, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 185, 186,
&end
#
# 100 GLY HN 100 GLY HA- 3.00 (# 1825:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1825, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1456,1457,
&end
#
# 0 AMB 20-2:1826 101 ALA HA 4.50 (# 1826:20 Single Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1506,1507,1506,1507,
&end
#
# 15 ALA HN 15 ALA HA 3.30 (# 1827:20 Unique 2.89, 2.92 A)
&rst
ixpk= 1827, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 5.50 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1461, 200,
igr2=1463, 192,
&end
#
# 8 SER HA 0 AMB 20-1:1829 7.00 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 256, 257, 258, 194, 195, 196,
&end
#
# 16 GLU HN 15 ALA MB 4.50 (# 1830:20 Unique 3.29, 3.94 A)
&rst
ixpk= 1830, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 194, 195, 196,
&end
#
# 0 AMB 20-2:1831 15 ALA MB 3.50 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 125, 794,
igr2= 194, 195, 196,
&end
#
# 16 GLU HB+ 16 GLU HA 3.20 (# 1832:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 204, 205,
&end
#
# 0 AMB 20-2:1833 16 GLU HA 5.50 (# 1833:20 Single Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 252, 262,
&end
#
# 0 AMB 20-2:1834 16 GLU HB- 4.50 (# 1834:20 Single Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 202, 136, 137,
igr2= 204, 205,
&end
#
# 10 SER HB- 0 AMB 20-1:1835 4.50 (# 1835:20 Single Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 136, 137,
igr2= 207, 208, 207, 208,
&end
#
# 18 VAL HN 17 TYR HA 4.00 (# 1836:20 Unique 3.46, 3.52 A)
&rst
ixpk= 1836, nxpk= 20, iat= 236, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1837 17 TYR HA 4.50 (# 1837:20 Single Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 252,
&end
#
# 18 VAL HN 17 TYR HB- 3.80 (# 1838:20 Unique 2.45, 3.22 A)
&rst
ixpk= 1838, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 219, 220,
&end
#
# 18 VAL HN 17 TYR HB+ 3.80 (# 1839:20 Unique 2.45, 3.22 A)
&rst
ixpk= 1839, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 219, 220,
&end
#
# 0 AMB 20-2:1840 0 AMB 20-1:1840 5.50 (# 1840:20 Double Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 80, 81, 550, 551, 550, 551,1800,
igr2= 118, 119, 238,
&end
#
# 18 VAL HB 18 VAL HA 2.80 (# 1841:20 Unique 2.41, 2.43 A)
&rst
ixpk= 1841, nxpk= 20, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 HIS HB+ 18 VAL HA 3.00 (# 1842:20 Unique 2.02, 2.60 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 281, 282,
&end
#
# 0 AMB 20-2:1843 0 AMB 20-1:1843 4.50 (# 1843:20 Double Ambig)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 192,1018, 185, 186, 254,
igr2= 240,1081,1082,
&end
#
# 0 AMB 20-2:1844 0 AMB 20-1:1844 5.50 (# 1844:20 Double Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 238, 962, 963,
igr2= 240, 968, 969,
&end
#
# 18 VAL HN 18 VAL HB 2.80 (# 1845:20 Unique 2.52, 2.59 A)
&rst
ixpk= 1845, nxpk= 20, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1846 0 AMB 20-1:1846 4.50 (# 1846:20 Double Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 975, 252,
igr2= 968, 969, 240,
&end
#
# 0 AMB 20-2:1847 18 VAL MGY 4.50 (# 1847:20 Single Ambig)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1800, 298, 299,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 22 LEU HG 18 VAL MGY 3.50 (# 1848:20 Unique 2.33, 4.55 A)
&rst
ixpk= 1848, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 22 LEU HA 18 VAL MGY 5.50 (# 1849:20 Unique 5.33, 7.57 A)
&rst
ixpk= 1849, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 19 ALA HN 18 VAL MGX 4.50 (# 1852:20 Unique 1.95, 3.52 A)
&rst
ixpk= 1852, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 17 TYR HD 18 VAL MGX 5.50 (# 1853:20 Unique 5.22, 8.09 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 223, 232,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:1854 41 LEU MDY 4.50 (# 1854:20 Single Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 583, 584, 629, 630,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:1855 19 ALA HA 4.50 (# 1855:20 Single Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 298, 299, 80, 81,
&end
#
# 6 LEU MDX 19 ALA MB 5.50 (# 1856:20 Unique 1.99, 5.33 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 256, 257, 258,
&end
#
# 35 THR MG2 20 GLU HA 4.50 (# 1857:20 Unique 3.26, 4.43 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 495, 496, 497,
&end
#
# 0 AMB 20-2:1858 24 GLU HA 2.80 (# 1858:20 Single Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 330, 331, 327, 328, 383, 384, 383, 384,
&end
#
# 25 LYS HN 24 GLU HA 4.00 (# 1859:20 Unique 3.54, 3.56 A)
&rst
ixpk= 1859, nxpk= 20, iat= 338, 325, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ALA HN 20 GLU HA 3.80 (# 1860:20 Unique 3.29, 3.44 A)
&rst
ixpk= 1860, nxpk= 20, iat= 313, 264, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 27 GLU HN 24 GLU HA 4.20 (# 1861:20 Unique 3.46, 3.77 A)
&rst
ixpk= 1861, nxpk= 20, iat= 379, 325, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 HIS HN 20 GLU HB- 3.80 (# 1862:20 Unique 2.53, 3.28 A)
&rst
ixpk= 1862, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 266, 267,
&end
#
# 21 HIS HN 20 GLU HB+ 3.80 (# 1863:20 Unique 2.53, 3.28 A)
&rst
ixpk= 1863, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 266, 267,
&end
#
# 20 GLU HG- 20 GLU HB- 3.20 (# 1864:20 Unique 2.25, 2.71 A)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 269, 270,
igr2= 266, 267,
&end
#
# 20 GLU HG- 20 GLU HB+ 3.20 (# 1865:20 Unique 2.25, 2.71 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 269, 270,
igr2= 266, 267,
&end
#
# 35 THR MG2 20 GLU HG- 5.50 (# 1866:20 Unique 4.40, 6.14 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 495, 496, 497,
igr2= 269, 270,
&end
#
# 20 GLU HA 20 GLU HG- 3.20 (# 1867:20 Unique 2.63, 2.82 A)
&rst
ixpk= 1867, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 269, 270,
&end
#
# 25 LYS HN 20 GLU HG+ 7.00 (# 1868:20 Unique 5.57, 6.31 A)
&rst
ixpk= 1868, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 269, 270,
&end
#
# 20 GLU HN 20 GLU HG+ 4.50 (# 1869:20 Unique 4.40, 4.48 A)
&rst
ixpk= 1869, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 269, 270,
&end
#
# 0 AMB 20-2:1870 21 HIS HA 4.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 327, 328, 266, 267,
&end
#
# 24 GLU HN 21 HIS HA 4.80 (# 1871:20 Unique 4.23, 4.34 A)
&rst
ixpk= 1871, nxpk= 20, iat= 323, 279, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 HIS HA 21 HIS HB+ 3.20 (# 1872:20 Unique 2.40, 2.79 A)
&rst
ixpk= 1872, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 281, 282,
&end
#
# 21 HIS HA 21 HIS HB- 3.20 (# 1873:20 Unique 2.40, 2.79 A)
&rst
ixpk= 1873, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 281, 282,
&end
#
# 21 HIS HN 21 HIS HB+ 3.00 (# 1874:20 Unique 2.12, 2.60 A)
&rst
ixpk= 1874, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 281, 282,
&end
#
# 22 LEU HN 21 HIS HB+ 3.80 (# 1875:20 Unique 2.64, 3.28 A)
&rst
ixpk= 1875, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 281, 282,
&end
#
# 22 LEU HN 21 HIS HB- 3.80 (# 1876:20 Unique 2.64, 3.28 A)
&rst
ixpk= 1876, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 281, 282,
&end
#
# 139 LEU MDY 22 LEU HA 4.00 (# 1877:20 Unique 2.06, 3.52 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 25 LYS HG- 22 LEU HA 5.50 (# 1878:20 Unique 4.13, 5.19 A)
&rst
ixpk= 1878, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 0 AMB 20-2:1879 22 LEU HA 4.50 (# 1879:20 Single Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 342, 343,2050,2051,
&end
#
# 25 LYS HN 22 LEU HA 4.20 (# 1880:20 Unique 3.56, 3.80 A)
&rst
ixpk= 1880, nxpk= 20, iat= 338, 296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 114 ALA MB 80 LEU HB- 4.20 (# 1881:20 Unique 1.96, 3.82 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1660,1661,1662,
igr2=1161,1162,
&end
#
# 22 LEU MDX 22 LEU HB+ 3.50 (# 1882:20 Unique 2.18, 3.28 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 298, 299,
&end
#
# 114 ALA MB 80 LEU HB+ 4.20 (# 1883:20 Unique 1.96, 3.82 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1660,1661,1662,
igr2=1161,1162,
&end
#
# 26 LEU MDX 22 LEU HB+ 4.50 (# 1884:20 Unique 1.99, 4.78 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 369, 370, 371, 373, 374, 375,
igr2= 298, 299,
&end
#
# 22 LEU HG 22 LEU HB+ 3.20 (# 1885:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1885, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 298, 299,
&end
#
# 22 LEU HA 22 LEU HB+ 3.20 (# 1886:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1886, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 298, 299,
&end
#
# 0 AMB 20-2:1887 22 LEU HB- 4.50 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 296,2048,
igr2= 298, 299,
&end
#
# 80 LEU HA 80 LEU HB- 3.00 (# 1888:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1888, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 90 ILE HA 123 ILE HB 3.50 (# 1889:20 Unique 1.99, 3.00 A)
&rst
ixpk= 1889, nxpk= 20, iat=1302,1800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HA 80 LEU HB+ 3.00 (# 1890:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1890, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 22 LEU HN 22 LEU HB+ 3.50 (# 1891:20 Unique 2.39, 3.07 A)
&rst
ixpk= 1891, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 298, 299,
&end
#
# 135 ALA MB 22 LEU MDX 3.50 (# 1892:20 Unique 2.00, 3.97 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1986,1987,1988,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1893 22 LEU MDX 4.50 (# 1893:20 Single Ambig)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 736, 733, 734,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 LEU HB- 22 LEU MDX 3.50 (# 1894:20 Unique 2.18, 3.28 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 19 ALA HA 22 LEU MDX 5.50 (# 1895:20 Unique 3.16, 5.75 A)
&rst
ixpk= 1895, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 LEU HA 22 LEU MDX 4.20 (# 1896:20 Unique 1.99, 3.80 A)
&rst
ixpk= 1896, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 LEU HN 22 LEU MDX 4.50 (# 1897:20 Unique 3.55, 4.48 A)
&rst
ixpk= 1897, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1898 0 AMB 20-1:1898 5.50 (# 1898:20 Double Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 294,1726,
igr2= 303, 304, 305, 307, 308, 309,2146,2147,2148,2150,
2151,2152,
&end
#
# 26 LEU HN 23 ALA HA 4.00 (# 1899:20 Unique 3.15, 3.56 A)
&rst
ixpk= 1899, nxpk= 20, iat= 360, 315, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 THR MG2 23 ALA MB 3.50 (# 1900:20 Unique 2.32, 4.42 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467, 468,
igr2= 317, 318, 319,
&end
#
# 0 AMB 20-2:1901 23 ALA MB 5.50 (# 1901:20 Single Ambig)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 495, 496, 497, 738, 739, 740, 742, 743, 744,
igr2= 317, 318, 319,
&end
#
# 73 LEU MDX 108 GLU HB- 5.50 (# 1902:20 Unique 1.97, 5.24 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1572,1573,
&end
#
# 110 LYS HE+ 106 GLU HG+ 4.00 (# 1904:20 Unique 2.03, 3.67 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1615,1616,
igr2=1550,1551,
&end
#
# 24 GLU HA 24 GLU HG+ 3.20 (# 1905:20 Unique 2.22, 2.90 A)
&rst
ixpk= 1905, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 330, 331,
&end
#
# 70 TYR HD 106 GLU HG+ 7.00 (# 1906:20 Unique 6.50, 9.49 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1003,1012,
igr2=1550,1551,
&end
#
# 69 PHE HD 0 AMB 20-1:1907 5.50 (# 1907:20 Single Ambig)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 983, 991,
igr2= 605, 606, 605, 606,
&end
#
# 24 GLU HN 24 GLU HG+ 4.50 (# 1908:20 Unique 2.77, 4.16 A)
&rst
ixpk= 1908, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 330, 331,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 1909:20 Unique 2.77, 4.16 A)
&rst
ixpk= 1909, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 330, 331,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 1910:20 Unique 2.77, 4.16 A)
&rst
ixpk= 1910, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:1911 0 AMB 20-1:1911 5.50 (# 1911:20 Double Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1104,1105, 613,
igr2= 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:1912 0 AMB 20-1:1912 3.50 (# 1912:20 Double Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1033,1570,
igr2=1084,1085,1575,1576,1575,1576,
&end
#
# 28 GLU HB+ 25 LYS HA 3.50 (# 1913:20 Unique 1.97, 3.10 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 399,
&end
#
# 77 LYS HN 76 GLN HA 4.00 (# 1914:20 Unique 3.50, 3.52 A)
&rst
ixpk= 1914, nxpk= 20, iat=1109,1094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 GLU HN 25 LYS HA 3.80 (# 1915:20 Unique 3.11, 3.35 A)
&rst
ixpk= 1915, nxpk= 20, iat= 394, 340, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 LYS HB- 25 LYS HA 3.20 (# 1916:20 Unique 2.25, 2.80 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 342, 343,
&end
#
# 25 LYS HG+ 25 LYS HB- 3.00 (# 1919:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 345, 346,
igr2= 342, 343,
&end
#
# 139 LEU MDY 25 LYS HB- 4.00 (# 1920:20 Unique 1.99, 3.67 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 342, 343,
&end
#
# 139 LEU MDY 25 LYS HB+ 4.00 (# 1921:20 Unique 1.99, 3.67 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 342, 343,
&end
#
# 25 LYS HG- 25 LYS HB- 3.00 (# 1922:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 345, 346,
igr2= 342, 343,
&end
#
# 0 AMB 20-2:1923 0 AMB 20-1:1923 3.50 (# 1923:20 Double Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 348, 349, 348, 349,1119,1120,1119,1120,
igr2= 342, 343, 342, 343,1113,1114,1113,1114,
&end
#
# 0 AMB 20-2:1925 0 AMB 20-1:1925 3.50 (# 1925:20 Double Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 340,1079,
igr2= 342, 343,1081,1082,
&end
#
# 25 LYS HN 25 LYS HB- 3.20 (# 1926:20 Unique 2.09, 2.79 A)
&rst
ixpk= 1926, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 342, 343,
&end
#
# 25 LYS HN 25 LYS HB+ 3.20 (# 1927:20 Unique 2.09, 2.79 A)
&rst
ixpk= 1927, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 342, 343,
&end
#
# 25 LYS HB+ 25 LYS HG+ 3.00 (# 1928:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 342, 343,
igr2= 345, 346,
&end
#
# 0 AMB 20-2:1929 0 AMB 20-1:1929 4.50 (# 1929:20 Double Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2053, 342, 343,
igr2= 345, 346, 345, 346,
&end
#
# 0 AMB 20-2:1930 0 AMB 20-1:1930 4.50 (# 1930:20 Double Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 340,1445,
igr2= 345, 346, 811, 812, 813,
&end
#
# 25 LYS HN 25 LYS HG- 3.80 (# 1931:20 Unique 3.04, 3.47 A)
&rst
ixpk= 1931, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 345, 346,
&end
#
# 99 CYS HN 56 THR MG2 4.50 (# 1932:20 Unique 3.19, 5.27 A)
&rst
ixpk= 1932, nxpk= 20, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 25 LYS HB- 0 AMB 20-1:1935 3.50 (# 1935:20 Single Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 342, 343,
igr2= 348, 349, 348, 349,
&end
#
# 0 AMB 20-2:1936 0 AMB 20-1:1936 5.50 (# 1936:20 Double Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 351, 352, 351, 352,
igr2= 348, 349, 348, 349,
&end
#
# 25 LYS HN 0 AMB 20-1:1938 5.50 (# 1938:20 Single Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 348, 349, 348, 349,
&end
#
# 0 AMB 20-2:1939 0 AMB 20-1:1939 3.50 (# 1939:20 Double Ambig)
&rst
ixpk= 1939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2055,2056,2057,2059,2060,2061, 588, 589, 590, 592,
593, 594,
igr2= 348, 349, 348, 349, 586,
&end
#
# 0 AMB 20-2:1940 0 AMB 20-1:1940 3.50 (# 1940:20 Double Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 53, 54, 882, 883, 25, 26, 27,
igr2= 35, 36,1515,1516,1515,1516, 35, 36,
&end
#
# 0 AMB 20-2:1941 0 AMB 20-1:1941 4.50 (# 1941:20 Double Ambig)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 413, 414, 415,1506,1507,1506,1507,1506,1507,
igr2= 351, 352,1515,1516,1515,1516,1515,1516,
&end
#
# 0 AMB 20-2:1943 0 AMB 20-1:1943 5.50 (# 1943:20 Double Ambig)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 340,1504,
igr2= 351, 352,1515,1516,1515,1516,
&end
#
# 25 LYS HG- 25 LYS HE+ 3.50 (# 1945:20 Unique 2.03, 2.99 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 345, 346,
igr2= 351, 352,
&end
#
# 0 AMB 20-2:1946 0 AMB 20-1:1946 5.50 (# 1946:20 Double Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1781,1782, 345, 346,
igr2=1787,1788, 351, 352,
&end
#
# 0 AMB 20-2:1947 122 LYS HE- 5.50 (# 1947:20 Single Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1747,1748,1749,1759,1760,
igr2=1787,1788,
&end
#
# 122 LYS HG- 122 LYS HE+ 3.80 (# 1948:20 Unique 2.01, 3.39 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1781,1782,
igr2=1787,1788,
&end
#
# 0 AMB 20-2:1949 122 LYS HE- 5.50 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1778,1779,1784,1785,
igr2=1787,1788,
&end
#
# 122 LYS HD+ 122 LYS HE+ 3.00 (# 1950:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1784,1785,
igr2=1787,1788,
&end
#
# 0 AMB 20-2:1951 0 AMB 20-1:1951 5.50 (# 1951:20 Double Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 588, 589, 590, 592, 593, 594,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,2055,2056,
2057,2059,2060,2061,
igr2= 600, 362,
&end
#
# 0 AMB 20-2:1952 26 LEU HA 5.50 (# 1952:20 Single Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 348, 349, 348, 349,
&end
#
# 75 GLU HG+ 75 GLU HA 3.50 (# 1953:20 Unique 2.46, 3.14 A)
&rst
ixpk= 1953, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 0 AMB 20-2:1954 0 AMB 20-1:1954 5.50 (# 1954:20 Double Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 625, 338,
igr2= 600, 362,
&end
#
# 26 LEU HN 26 LEU HA 3.20 (# 1955:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1955, nxpk= 20, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 139 LEU HN 139 LEU HA 3.20 (# 1956:20 Unique 2.73, 2.79 A)
&rst
ixpk= 1956, nxpk= 20, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 76 GLN HN 75 GLU HA 4.00 (# 1957:20 Unique 3.46, 3.51 A)
&rst
ixpk= 1957, nxpk= 20, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU MDX 26 LEU HB- 3.80 (# 1958:20 Unique 2.03, 3.24 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 369, 370, 371, 373, 374, 375,
igr2= 364, 365,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 1959:20 Unique 2.40, 3.07 A)
&rst
ixpk= 1959, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 364, 365,
&end
#
# 26 LEU HN 26 LEU HB+ 3.50 (# 1960:20 Unique 2.40, 3.07 A)
&rst
ixpk= 1960, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 364, 365,
&end
#
# 126 LEU HB+ 126 LEU MDY 3.50 (# 1961:20 Unique 2.00, 3.24 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1852,1853,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 26 LEU HA 26 LEU MDX 4.50 (# 1962:20 Unique 2.01, 3.96 A)
&rst
ixpk= 1962, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 93 ARG HN 126 LEU MDY 5.50 (# 1965:20 Unique 2.69, 6.64 A)
&rst
ixpk= 1965, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 26 LEU HN 26 LEU MDX 4.50 (# 1966:20 Unique 2.61, 4.19 A)
&rst
ixpk= 1966, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1967 26 LEU MDY 4.50 (# 1967:20 Single Ambig)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 733, 734, 413, 414, 415,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 31 PHE HD 26 LEU MDY 5.50 (# 1969:20 Unique 4.52, 8.40 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 434, 442,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 26 LEU HN 26 LEU MDY 5.00 (# 1970:20 Unique 2.61, 4.19 A)
&rst
ixpk= 1970, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1971 26 LEU MDY 2.80 (# 1971:20 Single Ambig)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2055,2056,2057,2059,2060,2061,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1972 26 LEU MDY 5.50 (# 1972:20 Single Ambig)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 733, 734, 736,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 146 LEU MDY 26 LEU MDY 5.50 (# 1973:20 Unique 3.25, 6.63 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1974 27 GLU HA 3.50 (# 1974:20 Single Ambig)
&rst
ixpk= 1974, nxpk= 20, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:1975 27 GLU HA 3.50 (# 1975:20 Single Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 386, 387, 386, 387, 430, 431,
&end
#
# 0 AMB 20-2:1976 0 AMB 20-1:1976 3.50 (# 1976:20 Double Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 386, 387, 386, 387, 386, 387,
igr2= 383, 384, 383, 384, 383, 384,
&end
#
# 27 GLU HA 0 AMB 20-1:1977 4.50 (# 1977:20 Single Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 28 GLU HN 0 AMB 20-1:1978 4.50 (# 1978:20 Single Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 27 GLU HN 27 GLU HB+ 3.20 (# 1979:20 Unique 2.07, 2.71 A)
&rst
ixpk= 1979, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 383, 384,
&end
#
# 27 GLU HN 0 AMB 20-1:1980 3.50 (# 1980:20 Single Ambig)
&rst
ixpk= 1980, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 386, 387, 386, 387,
&end
#
# 29 ALA HN 28 GLU HA 4.00 (# 1982:20 Unique 3.50, 3.51 A)
&rst
ixpk= 1982, nxpk= 20, iat= 409, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HN 28 GLU HA 4.00 (# 1983:20 Unique 3.58, 3.63 A)
&rst
ixpk= 1983, nxpk= 20, iat= 419, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HN 28 GLU HB+ 3.50 (# 1984:20 Unique 2.84, 3.24 A)
&rst
ixpk= 1984, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 398, 399,
&end
#
# 29 ALA HN 28 GLU HB- 3.50 (# 1985:20 Unique 2.84, 3.24 A)
&rst
ixpk= 1985, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 398, 399,
&end
#
# 138 TRP HN 0 AMB 20-1:1986 3.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2011,2012,2011,2012,
&end
#
# 70 TYR HD 0 AMB 20-1:1987 5.50 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1003,1012,
igr2=1023,1024,1575,1576,1575,1576,
&end
#
# 70 TYR HD 71 GLU HG- 5.50 (# 1988:20 Unique 2.43, 5.51 A)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1012,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:1989 42 GLU HG- 4.50 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:1990 0 AMB 20-1:1990 4.50 (# 1990:20 Double Ambig)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:1991 0 AMB 20-1:1991 4.50 (# 1991:20 Double Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 564, 565,1035,1036,1037,
igr2= 605, 606, 605, 606,
&end
#
# 30 GLY HN 29 ALA HA 3.80 (# 1992:20 Unique 3.43, 3.44 A)
&rst
ixpk= 1992, nxpk= 20, iat= 419, 411, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:1993 29 ALA MB 4.50 (# 1993:20 Single Ambig)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 398, 399, 364, 365,2111,
igr2= 413, 414, 415,
&end
#
# 30 GLY HN 29 ALA MB 4.20 (# 1994:20 Unique 3.04, 3.78 A)
&rst
ixpk= 1994, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 413, 414, 415,
&end
#
# 31 PHE HN 29 ALA MB 5.20 (# 1995:20 Unique 3.76, 4.80 A)
&rst
ixpk= 1995, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 413, 414, 415,
&end
#
# 28 GLU HN 29 ALA MB 6.00 (# 1996:20 Unique 4.35, 5.42 A)
&rst
ixpk= 1996, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 413, 414, 415,
&end
#
# 31 PHE HN 30 GLY HA- 3.80 (# 1998:20 Unique 2.92, 3.23 A)
&rst
ixpk= 1998, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 421, 422,
&end
#
# 31 PHE HN 30 GLY HA+ 3.80 (# 1999:20 Unique 2.92, 3.23 A)
&rst
ixpk= 1999, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:2000 0 AMB 20-1:2000 4.50 (# 2000:20 Double Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 364, 365, 466, 467, 468,
igr2= 430, 431, 430, 431,
&end
#
# 0 AMB 20-2:2001 31 PHE HB- 4.50 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 364, 365, 466, 467, 468,
igr2= 430, 431,
&end
#
# 4 ILE MD1 31 PHE HB- 4.30 (# 2003:20 Unique 2.43, 3.82 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 56, 57, 58,
igr2= 430, 431,
&end
#
# 0 AMB 20-2:2004 0 AMB 20-1:2004 4.50 (# 2004:20 Double Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 381, 428,
igr2= 430, 431, 430, 431,
&end
#
# 31 PHE HD 31 PHE HB+ 3.50 (# 2005:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 434, 442,
igr2= 430, 431,
&end
#
# 31 PHE HN 31 PHE HB- 3.50 (# 2006:20 Unique 2.54, 3.17 A)
&rst
ixpk= 2006, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 430, 431,
&end
#
# 31 PHE HN 31 PHE HB+ 3.50 (# 2007:20 Unique 2.54, 3.17 A)
&rst
ixpk= 2007, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 430, 431,
&end
#
# 64 ASP HN 64 ASP HB- 3.30 (# 2008:20 Unique 2.10, 2.97 A)
&rst
ixpk= 2008, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 909, 910,
&end
#
# 32 THR HN 31 PHE HB- 3.30 (# 2009:20 Unique 2.15, 2.89 A)
&rst
ixpk= 2009, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 430, 431,
&end
#
# 65 ASN HN 64 ASP HB- 4.50 (# 2010:20 Unique 3.43, 4.15 A)
&rst
ixpk= 2010, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 32 THR HB 32 THR HA 3.00 (# 2011:20 Unique 2.59, 2.68 A)
&rst
ixpk= 2011, nxpk= 20, iat= 450, 448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 THR MG2 32 THR HA 2.80 (# 2012:20 Unique 2.12, 2.86 A)
&rst
ixpk= 2012, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 452, 453, 454,
&end
#
# 33 THR HN 32 THR HA 2.50 (# 2013:20 Unique 2.15, 2.19 A)
&rst
ixpk= 2013, nxpk= 20, iat= 460, 448, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 32 THR HA 32 THR HB 3.20 (# 2014:20 Unique 2.59, 2.68 A)
&rst
ixpk= 2014, nxpk= 20, iat= 448, 450, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 5 THR HA 32 THR HB 7.00 (# 2015:20 Unique 6.07, 6.77 A)
&rst
ixpk= 2015, nxpk= 20, iat= 64, 450, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2017 32 THR MG2 5.50 (# 2017:20 Single Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 386, 387, 386, 387,
igr2= 452, 453, 454,
&end
#
# 2 ALA HA 32 THR MG2 5.00 (# 2018:20 Unique 2.29, 4.28 A)
&rst
ixpk= 2018, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 452, 453, 454,
&end
#
# 0 AMB 20-2:2019 32 THR MG2 4.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 428, 381,
igr2= 452, 453, 454,
&end
#
# 3 ASP HN 32 THR MG2 6.50 (# 2020:20 Unique 4.38, 6.08 A)
&rst
ixpk= 2020, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 452, 453, 454,
&end
#
# 33 THR HN 33 THR HA 3.30 (# 2021:20 Unique 2.93, 2.95 A)
&rst
ixpk= 2021, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 ILE HB 33 THR HA 3.50 (# 2022:20 Unique 2.74, 3.05 A)
&rst
ixpk= 2022, nxpk= 20, iat= 47, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2023 33 THR HA 3.50 (# 2023:20 Single Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 25, 26, 27, 53, 54, 80, 81,
&end
#
# 23 ALA MB 33 THR HB 4.00 (# 2024:20 Unique 2.43, 3.62 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 317, 318, 319,
&end
#
# 33 THR HN 33 THR HB 4.20 (# 2026:20 Unique 3.56, 3.75 A)
&rst
ixpk= 2026, nxpk= 20, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 ILE MD1 33 THR MG2 5.30 (# 2027:20 Unique 3.44, 4.80 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 56, 57, 58,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2028 33 THR MG2 3.50 (# 2028:20 Single Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 369, 370, 371, 373, 374, 375, 49, 50, 51,
igr2= 466, 467, 468,
&end
#
# 23 ALA MB 33 THR MG2 3.50 (# 2029:20 Unique 2.32, 4.42 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 317, 318, 319,
igr2= 466, 467, 468,
&end
#
# 4 ILE HB 33 THR MG2 3.30 (# 2030:20 Unique 1.99, 2.78 A)
&rst
ixpk= 2030, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 466, 467, 468,
&end
#
# 6 LEU MDY 33 THR MG2 3.50 (# 2031:20 Unique 2.13, 5.90 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2032 33 THR MG2 2.80 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91, 369, 370, 371, 373, 374, 375,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2033 33 THR MG2 5.50 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 367, 478, 479,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2034 33 THR MG2 5.50 (# 2034:20 Single Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 383, 384, 383, 384,
igr2= 466, 467, 468,
&end
#
# 31 PHE HB- 33 THR MG2 5.50 (# 2035:20 Unique 3.81, 5.12 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 430, 431,
igr2= 466, 467, 468,
&end
#
# 23 ALA HA 33 THR MG2 3.50 (# 2036:20 Unique 2.18, 3.64 A)
&rst
ixpk= 2036, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 466, 467, 468,
&end
#
# 27 GLU HA 33 THR MG2 4.50 (# 2037:20 Unique 3.08, 4.15 A)
&rst
ixpk= 2037, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 466, 467, 468,
&end
#
# 4 ILE HN 33 THR MG2 5.00 (# 2038:20 Unique 3.57, 4.68 A)
&rst
ixpk= 2038, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 466, 467, 468,
&end
#
# 27 GLU HN 33 THR MG2 4.30 (# 2039:20 Unique 2.59, 3.97 A)
&rst
ixpk= 2039, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2040 33 THR MG2 7.00 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 360, 31,
igr2= 466, 467, 468,
&end
#
# 34 GLU HB- 34 GLU HA 3.00 (# 2041:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 478, 479,
&end
#
# 33 THR HA 34 GLU HA 5.00 (# 2042:20 Unique 4.51, 4.54 A)
&rst
ixpk= 2042, nxpk= 20, iat= 462, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 GLU HG- 34 GLU HB- 3.00 (# 2043:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 0 AMB 20-2:2044 0 AMB 20-1:2044 5.50 (# 2044:20 Double Ambig)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,
igr2= 478, 479, 478, 479,
&end
#
# 5 THR HA 34 GLU HB+ 3.50 (# 2045:20 Unique 1.99, 3.15 A)
&rst
ixpk= 2045, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 478, 479,
&end
#
# 34 GLU HN 34 GLU HB- 3.80 (# 2047:20 Unique 2.84, 3.20 A)
&rst
ixpk= 2047, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 478, 479,
&end
#
# 34 GLU HN 34 GLU HB+ 3.80 (# 2048:20 Unique 2.84, 3.20 A)
&rst
ixpk= 2048, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 478, 479,
&end
#
# 36 LEU MDX 34 GLU HG- 5.00 (# 2049:20 Unique 2.00, 4.49 A)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 481, 482,
&end
#
# 34 GLU HB+ 34 GLU HG- 3.30 (# 2050:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 478, 479,
igr2= 481, 482,
&end
#
# 34 GLU HB- 34 GLU HG+ 2.30 (# 2051:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1= 478, 479,
igr2= 481, 482,
&end
#
# 35 THR HN 34 GLU HG- 4.30 (# 2053:20 Unique 2.98, 3.81 A)
&rst
ixpk= 2053, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 481, 482,
&end
#
# 35 THR HN 34 GLU HG+ 4.30 (# 2054:20 Unique 2.98, 3.81 A)
&rst
ixpk= 2054, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:2055 35 THR HA 5.50 (# 2055:20 Single Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 34 GLU HA 35 THR HB 6.00 (# 2056:20 Unique 4.84, 5.53 A)
&rst
ixpk= 2056, nxpk= 20, iat= 476, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2057 35 THR MG2 5.50 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 262, 252,
igr2= 495, 496, 497,
&end
#
# 35 THR HN 35 THR MG2 4.40 (# 2058:20 Unique 2.41, 3.93 A)
&rst
ixpk= 2058, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 495, 496, 497,
&end
#
# 6 LEU HN 35 THR MG2 6.00 (# 2059:20 Unique 4.03, 5.27 A)
&rst
ixpk= 2059, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 495, 496, 497,
&end
#
# 19 ALA HA 35 THR MG2 6.00 (# 2060:20 Unique 4.69, 5.57 A)
&rst
ixpk= 2060, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 495, 496, 497,
&end
#
# 36 LEU MDX 36 LEU HA 4.50 (# 2061:20 Unique 2.09, 3.97 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HG 36 LEU HA 3.00 (# 2062:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2062, nxpk= 20, iat= 510, 505, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HB- 36 LEU HA 3.00 (# 2063:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 507, 508,
&end
#
# 36 LEU HN 36 LEU HA 3.30 (# 2064:20 Unique 2.88, 2.94 A)
&rst
ixpk= 2064, nxpk= 20, iat= 503, 505, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 LEU MDX 36 LEU HB+ 3.60 (# 2065:20 Unique 2.01, 3.23 A)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HB- 3.60 (# 2066:20 Unique 2.01, 3.23 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 0 AMB 20-2:2067 0 AMB 20-1:2067 4.50 (# 2067:20 Double Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 550, 551, 550, 551, 553, 554, 553, 554,
igr2= 507, 508, 507, 508, 507, 508, 507, 508,
&end
#
# 36 LEU HA 36 LEU HB+ 3.20 (# 2068:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2068, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 507, 508,
&end
#
# 36 LEU HA 36 LEU HB- 3.20 (# 2069:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2069, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 507, 508,
&end
#
# 36 LEU HN 36 LEU HB- 3.50 (# 2070:20 Unique 2.25, 3.05 A)
&rst
ixpk= 2070, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 507, 508,
&end
#
# 36 LEU HB+ 36 LEU HG 3.20 (# 2071:20 Unique 2.50, 2.80 A)
&rst
ixpk= 2071, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 507, 508,
&end
#
# 36 LEU HA 36 LEU HG 3.00 (# 2072:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2072, nxpk= 20, iat= 505, 510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2073 36 LEU MDX 5.50 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 634, 635, 636, 638, 639, 640, 108, 109, 110,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 34 GLU HG+ 36 LEU MDX 5.00 (# 2074:20 Unique 2.00, 4.49 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 481, 482,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:2075 36 LEU MDX 5.50 (# 2075:20 Single Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 617, 618, 617, 618,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:2076 36 LEU MDX 5.50 (# 2076:20 Single Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 476, 627,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:2078 36 LEU MDY 3.50 (# 2078:20 Single Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 507, 508, 105, 106,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HG 36 LEU MDY 4.00 (# 2079:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2079, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB- 36 LEU MDY 3.80 (# 2080:20 Unique 2.01, 3.23 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 66 LEU HB+ 66 LEU MDX 3.50 (# 2081:20 Unique 2.11, 3.32 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 935, 936,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 20-2:2082 36 LEU MDY 4.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 553, 554, 553, 554, 550, 551, 550, 551,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 34 GLU HG+ 36 LEU MDY 4.50 (# 2083:20 Unique 2.00, 4.49 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 481, 482,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 37 HIS HN 36 LEU MDY 5.50 (# 2084:20 Unique 2.87, 5.13 A)
&rst
ixpk= 2084, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 38 GLY HN 37 HIS HA 2.50 (# 2085:20 Unique 2.17, 2.21 A)
&rst
ixpk= 2085, nxpk= 20, iat= 539, 524, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 8 SER HN 37 HIS HA 4.50 (# 2086:20 Unique 3.85, 4.05 A)
&rst
ixpk= 2086, nxpk= 20, iat= 114, 524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 HIS HN 37 HIS HA 3.20 (# 2087:20 Unique 2.87, 2.89 A)
&rst
ixpk= 2087, nxpk= 20, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 37 HIS HB+ 37 HIS HA 3.20 (# 2089:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 526, 527,
&end
#
# 37 HIS HA 37 HIS HB+ 3.20 (# 2092:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2092, nxpk= 20, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 526, 527,
&end
#
# 37 HIS HN 37 HIS HB- 3.20 (# 2094:20 Unique 2.12, 2.86 A)
&rst
ixpk= 2094, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 526, 527,
&end
#
# 37 HIS HN 37 HIS HB+ 3.20 (# 2095:20 Unique 2.12, 2.86 A)
&rst
ixpk= 2095, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 526, 527,
&end
#
# 9 GLY HA+ 38 GLY HA- 4.80 (# 2096:20 Unique 3.15, 4.30 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 127, 128,
igr2= 541, 542,
&end
#
# 65 ASN HB+ 38 GLY HA+ 3.50 (# 2097:20 Unique 1.98, 3.10 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 921, 922,
igr2= 541, 542,
&end
#
# 0 AMB 20-2:2098 0 AMB 20-1:2098 5.50 (# 2098:20 Double Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 940, 941, 942, 944, 945, 946, 940, 941, 942, 944,
945, 946,
igr2= 541, 542, 541, 542,
&end
#
# 44 LEU MDX 0 AMB 20-1:2099 5.50 (# 2099:20 Single Ambig)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 553, 554, 553, 554,
&end
#
# 36 LEU MDX 0 AMB 20-1:2100 5.50 (# 2100:20 Single Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 20-2:2101 0 AMB 20-1:2101 5.50 (# 2101:20 Double Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 507, 508, 507, 508,
igr2= 553, 554, 553, 554,
&end
#
# 44 LEU HG 0 AMB 20-1:2102 3.50 (# 2102:20 Single Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 553, 554, 553, 554,
&end
#
# 40 LEU HN 0 AMB 20-1:2104 5.50 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 20-2:2105 39 PRO HA 4.50 (# 2105:20 Single Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 567, 629, 630,
&end
#
# 0 AMB 20-2:2106 0 AMB 20-1:2106 4.50 (# 2106:20 Double Ambig)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1111, 600,1651,1652,
igr2=1135,1136,1135,1136,1135,1136,
&end
#
# 0 AMB 20-2:2107 0 AMB 20-1:2107 4.50 (# 2107:20 Double Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 362,1111,
igr2= 367,1135,1136,
&end
#
# 0 AMB 20-2:2108 0 AMB 20-1:2108 4.50 (# 2108:20 Double Ambig)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1164, 507, 508,
igr2=1135,1136,1135,1136, 550, 551, 550, 551,
&end
#
# 26 LEU HN 26 LEU HG 2.50 (# 2109:20 Unique 1.94, 2.16 A)
&rst
ixpk= 2109, nxpk= 20, iat= 360, 367, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 73 LEU HA 78 PRO HD+ 4.00 (# 2110:20 Unique 2.93, 3.52 A)
&rst
ixpk= 2110, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:2112 78 PRO HD- 4.50 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1138,1139,1113,1114,1113,1114, 583, 584,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:2113 0 AMB 20-1:2113 3.50 (# 2113:20 Double Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1096,1097, 965, 966, 968, 969,
igr2=1132,1133, 962, 963, 962, 963,
&end
#
# 0 AMB 20-2:2114 0 AMB 20-1:2114 4.50 (# 2114:20 Double Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 588, 589, 590, 592, 593, 594, 940, 941, 942, 944,
945, 946,
igr2=1132,1133, 547, 548,
&end
#
# 0 AMB 20-2:2115 0 AMB 20-1:2115 4.50 (# 2115:20 Double Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 588, 589, 590, 592, 593, 594, 940, 941, 942, 944,
945, 946,
igr2=1132,1133, 547, 548,
&end
#
# 40 LEU HN 40 LEU HA 3.30 (# 2116:20 Unique 2.88, 2.91 A)
&rst
ixpk= 2116, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 LEU HA 40 LEU HB- 3.20 (# 2117:20 Unique 2.54, 2.79 A)
&rst
ixpk= 2117, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 564, 565,
&end
#
# 40 LEU HA 40 LEU HB+ 3.20 (# 2118:20 Unique 2.54, 2.79 A)
&rst
ixpk= 2118, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 564, 565,
&end
#
# 145 LEU HN 145 LEU HB- 3.30 (# 2119:20 Unique 2.13, 2.90 A)
&rst
ixpk= 2119, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2141,2142,
&end
#
# 0 AMB 20-2:2120 0 AMB 20-1:2120 5.50 (# 2120:20 Double Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 613,1104,1105,
igr2= 564, 565, 564, 565,
&end
#
# 40 LEU HN 40 LEU HB- 3.30 (# 2121:20 Unique 2.25, 2.93 A)
&rst
ixpk= 2121, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 564, 565,
&end
#
# 40 LEU HA 40 LEU HG 2.80 (# 2122:20 Unique 2.38, 2.43 A)
&rst
ixpk= 2122, nxpk= 20, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2123 40 LEU HG 7.00 (# 2123:20 Single Ambig)
&rst
ixpk= 2123, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 579, 598,
&end
#
# 0 AMB 20-2:2124 40 LEU HG 3.50 (# 2124:20 Single Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 968, 969, 602, 603,
&end
#
# 40 LEU HA 40 LEU MDX 4.50 (# 2125:20 Unique 2.68, 4.10 A)
&rst
ixpk= 2125, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 40 LEU HN 40 LEU MDX 5.00 (# 2126:20 Unique 3.05, 4.58 A)
&rst
ixpk= 2126, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 41 LEU HN 40 LEU MDX 5.00 (# 2127:20 Unique 2.31, 4.66 A)
&rst
ixpk= 2127, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:2128 0 AMB 20-1:2128 3.50 (# 2128:20 Double Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 161, 162, 567,
igr2= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575,
&end
#
# 0 AMB 20-2:2129 0 AMB 20-1:2129 3.50 (# 2129:20 Double Ambig)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 564, 565,1852,1853,1368,1369, 164,
igr2= 569, 570, 571, 573, 574, 575,1857,1858,1859,1861,
1862,1863, 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:2130 0 AMB 20-1:2130 3.50 (# 2130:20 Double Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 564, 565,1365,1366,1035,1036,1037,
igr2= 569, 570, 571, 573, 574, 575,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:2131 0 AMB 20-1:2131 2.80 (# 2131:20 Double Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 159, 562,
igr2= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575,
&end
#
# 40 LEU HN 40 LEU MDY 5.00 (# 2133:20 Unique 3.05, 4.58 A)
&rst
ixpk= 2133, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:2134 0 AMB 20-1:2134 5.50 (# 2134:20 Double Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 975,1755,
igr2= 569, 570, 571, 573, 574, 575,1764,1765,1766,1768,
1769,1770,
&end
#
# 41 LEU MDX 41 LEU HA 4.00 (# 2135:20 Unique 1.93, 3.60 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 76 GLN HE2+ 41 LEU HA 5.50 (# 2136:20 Unique 4.85, 5.49 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1104,1105,
&end
#
# 41 LEU MDY 41 LEU HB+ 4.00 (# 2137:20 Unique 2.06, 3.34 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584,
&end
#
# 41 LEU HA 41 LEU HB+ 3.20 (# 2138:20 Unique 2.46, 2.82 A)
&rst
ixpk= 2138, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 583, 584,
&end
#
# 76 GLN HE2+ 41 LEU HB- 3.80 (# 2139:20 Unique 2.37, 3.30 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1104,1105,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:2140 0 AMB 20-1:2140 4.50 (# 2140:20 Double Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 579, 598,
igr2= 564, 565, 564, 565,
&end
#
# 41 LEU MDX 41 LEU HG 3.00 (# 2141:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 3.50 (# 2142:20 Double Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 161, 162, 398, 399, 398, 399,
igr2= 164, 348, 349, 348, 349,
&end
#
# 41 LEU HB+ 41 LEU MDX 3.50 (# 2143:20 Unique 2.06, 3.34 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 583, 584,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HB+ 41 LEU MDX 5.50 (# 2144:20 Unique 4.04, 6.14 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1045,1046,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 76 GLN HB- 41 LEU MDX 5.50 (# 2145:20 Unique 2.00, 4.91 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1096,1097,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 78 PRO HB- 41 LEU MDX 5.30 (# 2146:20 Unique 2.02, 4.78 A)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1138,1139,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 78 PRO HD+ 41 LEU MDX 4.50 (# 2147:20 Unique 1.97, 3.91 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1132,1133,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HA 41 LEU MDX 4.30 (# 2148:20 Unique 1.97, 3.85 A)
&rst
ixpk= 2148, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 78 PRO HD- 41 LEU MDX 4.40 (# 2149:20 Unique 1.97, 3.91 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1132,1133,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HA 41 LEU MDX 4.00 (# 2150:20 Unique 1.93, 3.60 A)
&rst
ixpk= 2150, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2151 41 LEU MDX 4.50 (# 2151:20 Single Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 600,1111,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 45 PRO HA 41 LEU MDX 7.00 (# 2152:20 Unique 5.24, 7.31 A)
&rst
ixpk= 2152, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 76 GLN HE2+ 41 LEU MDX 5.00 (# 2153:20 Unique 1.95, 4.42 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1104,1105,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HN 41 LEU MDX 6.50 (# 2154:20 Unique 3.49, 5.77 A)
&rst
ixpk= 2154, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2155 41 LEU MDX 5.50 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 598, 579,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDY 41 LEU MDX 3.50 (# 2156:20 Unique 2.09, 5.57 A)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1050,1051,1052,1054,1055,1056,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDX 41 LEU MDY 5.50 (# 2157:20 Unique 2.09, 5.57 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1050,1051,1052,1054,1055,1056,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2158 0 AMB 20-1:2158 3.50 (# 2158:20 Double Ambig)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1050,1051,1052,1054,1055,1056, 770, 771, 772,
igr2= 588, 589, 590, 592, 593, 594, 242, 243, 244, 246,
247, 248,
&end
#
# 105 LEU HB+ 105 LEU MDY 3.50 (# 2160:20 Unique 1.98, 3.25 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2161 0 AMB 20-1:2161 3.50 (# 2161:20 Double Ambig)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 583, 584, 876,
igr2= 588, 589, 590, 592, 593, 594,1533,1534,1535,1537,
1538,1539,
&end
#
# 41 LEU HG 41 LEU MDY 3.00 (# 2162:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2162, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2163 105 LEU MDY 2.80 (# 2163:20 Single Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 935, 936,1531,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2164 0 AMB 20-1:2164 3.50 (# 2164:20 Double Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=1135,1136,1135,1136,1528,1529,1096,1097,
igr2= 588, 589, 590, 592, 593, 594,1533,1534,1535,1537,
1538,1539,
&end
#
# 0 AMB 20-2:2165 0 AMB 20-1:2165 5.50 (# 2165:20 Double Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 938,1138,1139,
igr2=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
&end
#
# 0 AMB 20-2:2166 105 LEU MDY 5.50 (# 2166:20 Single Ambig)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 999,1000, 979, 980,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 70 TYR HA 105 LEU MDY 5.50 (# 2167:20 Unique 2.83, 5.66 A)
&rst
ixpk= 2167, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2168 0 AMB 20-1:2168 5.50 (# 2168:20 Double Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1473, 600,
igr2=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
&end
#
# 69 PHE HD 105 LEU MDY 4.50 (# 2169:20 Unique 2.46, 6.61 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2171 0 AMB 20-1:2171 5.50 (# 2171:20 Double Ambig)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 598, 579, 764,
igr2= 588, 589, 590, 592, 593, 594,1533,1534,1535,1537,
1538,1539,
&end
#
# 0 AMB 20-2:2173 0 AMB 20-1:2173 4.50 (# 2173:20 Double Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 564, 565, 564, 565, 317, 318, 319,1035,1036,1037,
igr2= 602, 603, 602, 603, 266, 267, 602, 603,
&end
#
# 41 LEU MDX 76 GLN HB- 5.50 (# 2174:20 Unique 2.00, 4.91 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:2175 68 PRO HG- 5.50 (# 2175:20 Single Ambig)
&rst
ixpk= 2175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
igr2= 965, 966,
&end
#
# 0 AMB 20-2:2176 20 GLU HB- 5.50 (# 2176:20 Single Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 238, 118, 119,
igr2= 266, 267,
&end
#
# 44 LEU HN 43 ASP HA 3.50 (# 2177:20 Unique 2.61, 3.02 A)
&rst
ixpk= 2177, nxpk= 20, iat= 625, 615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2178 0 AMB 20-1:2178 5.50 (# 2178:20 Double Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 553, 554, 553, 554,
igr2= 617, 618, 617, 618,
&end
#
# 0 AMB 20-2:2179 43 ASP HB- 5.50 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 553, 554, 553, 554,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:2180 0 AMB 20-1:2180 3.50 (# 2180:20 Double Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 613, 409,
igr2= 617, 618, 351, 352,
&end
#
# 43 ASP HA 43 ASP HB+ 3.20 (# 2181:20 Unique 2.33, 2.79 A)
&rst
ixpk= 2181, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 617, 618,
&end
#
# 40 LEU HN 43 ASP HB+ 4.50 (# 2182:20 Unique 3.01, 4.20 A)
&rst
ixpk= 2182, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 617, 618,
&end
#
# 44 LEU MDY 44 LEU HA 3.80 (# 2183:20 Unique 1.94, 3.14 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HG 44 LEU HA 4.00 (# 2184:20 Unique 3.19, 3.55 A)
&rst
ixpk= 2184, nxpk= 20, iat= 632, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 LEU HN 44 LEU HA 3.30 (# 2185:20 Unique 2.94, 2.95 A)
&rst
ixpk= 2185, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 44 LEU MDY 44 LEU HB- 3.80 (# 2186:20 Unique 1.99, 3.44 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 44 LEU HG 44 LEU HB- 2.80 (# 2187:20 Unique 2.23, 2.49 A)
&rst
ixpk= 2187, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 629, 630,
&end
#
# 44 LEU HA 44 LEU HB- 3.30 (# 2188:20 Unique 2.62, 2.82 A)
&rst
ixpk= 2188, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 629, 630,
&end
#
# 44 LEU MDX 44 LEU HG 3.00 (# 2189:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:2190 44 LEU MDX 5.50 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1161,1162,1587,1588,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:2191 44 LEU MDX 5.50 (# 2191:20 Single Ambig)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 617, 618, 617, 618,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 41 LEU HA 44 LEU MDX 5.50 (# 2192:20 Unique 2.75, 5.25 A)
&rst
ixpk= 2192, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HN 44 LEU MDX 5.50 (# 2193:20 Unique 3.00, 4.88 A)
&rst
ixpk= 2193, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 43 ASP HN 44 LEU MDX 5.50 (# 2194:20 Unique 3.48, 5.70 A)
&rst
ixpk= 2194, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 7 ILE HG1+ 44 LEU MDX 4.50 (# 2195:20 Unique 2.51, 4.84 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 105, 106,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:2197 44 LEU MDY 5.50 (# 2197:20 Single Ambig)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1= 588, 589, 590, 592, 593, 594,1592,1593,1594,1596,
1597,1598,1166,1167,1168,1170,1171,1172,1166,1167,
1168,1170,1171,1172,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 45 PRO HD- 44 LEU MDY 5.00 (# 2198:20 Unique 1.93, 4.37 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 645, 646,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HA 44 LEU MDY 4.00 (# 2199:20 Unique 1.94, 3.14 A)
&rst
ixpk= 2199, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HN 44 LEU MDY 5.30 (# 2200:20 Unique 3.00, 4.88 A)
&rst
ixpk= 2200, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 43 ASP HN 44 LEU MDY 6.30 (# 2201:20 Unique 3.48, 5.70 A)
&rst
ixpk= 2201, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 45 PRO HB- 45 PRO HA 2.80 (# 2202:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 651, 652,
&end
#
# 45 PRO HB+ 45 PRO HA 2.80 (# 2203:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 651, 652,
&end
#
# 46 ALA MB 45 PRO HA 5.50 (# 2204:20 Unique 4.00, 4.92 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 662, 663, 664,
&end
#
# 46 ALA HN 45 PRO HA 3.20 (# 2205:20 Unique 2.65, 2.70 A)
&rst
ixpk= 2205, nxpk= 20, iat= 658, 654, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 45 PRO HD+ 45 PRO HB- 4.20 (# 2206:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 46 ALA HN 45 PRO HB- 2.80 (# 2207:20 Unique 1.89, 2.55 A)
&rst
ixpk= 2207, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 651, 652,
&end
#
# 46 ALA HN 45 PRO HB+ 2.80 (# 2208:20 Unique 1.89, 2.55 A)
&rst
ixpk= 2208, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:2209 45 PRO HG- 5.50 (# 2209:20 Single Ambig)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 654, 681, 682,
igr2= 648, 649,
&end
#
# 50 TRP HE1 45 PRO HG+ 4.50 (# 2210:20 Unique 2.05, 3.89 A)
&rst
ixpk= 2210, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:2211 45 PRO HD- 5.50 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,1166,
1167,1168,1170,1171,1172,1166,1167,1168,1170,1171,
1172, 588, 589, 590, 592, 593, 594,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:2212 0 AMB 20-1:2212 5.50 (# 2212:20 Double Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.98, r4=14.48,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,1166,
1167,1168,1170,1171,1172,1166,1167,1168,1170,1171,
1172, 588, 589, 590, 592, 593, 594,
igr2= 645, 646, 645, 646, 645, 646, 645, 646, 645, 646,
&end
#
# 44 LEU MDX 45 PRO HD+ 5.00 (# 2213:20 Unique 1.93, 4.37 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 645, 646,
&end
#
# 44 LEU HB- 45 PRO HD+ 5.00 (# 2214:20 Unique 2.50, 4.43 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 44 LEU HB+ 45 PRO HD- 5.00 (# 2215:20 Unique 2.50, 4.43 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 114 ALA HN 46 ALA MB 7.00 (# 2216:20 Unique 7.14, 8.49 A)
&rst
ixpk= 2216, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 662, 663, 664,
&end
#
# 83 VAL MGX 47 SER HA 4.80 (# 2217:20 Unique 1.98, 4.20 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2218 0 AMB 20-1:2218 3.50 (# 2218:20 Double Ambig)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1119,1120,1852,1853,
igr2=1111,1850,
&end
#
# 0 AMB 20-2:2219 0 AMB 20-1:2219 5.50 (# 2219:20 Double Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1640,1869, 681, 682,1159,1189,
igr2=1111,1850, 670,
&end
#
# 83 VAL MGY 47 SER HB- 5.50 (# 2221:20 Unique 3.99, 6.33 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 672, 673,
&end
#
# 83 VAL MGY 47 SER HB+ 7.00 (# 2222:20 Unique 3.99, 6.33 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 672, 673,
&end
#
# 0 AMB 20-2:2223 47 SER HB- 7.00 (# 2223:20 Single Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 681, 682,1159,1189,
igr2= 672, 673,
&end
#
# 0 AMB 20-2:2227 48 GLY HA- 2.80 (# 2227:20 Single Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 686, 679,
igr2= 681, 682,
&end
#
# 49 ILE HN 49 ILE HA 3.30 (# 2228:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2228, nxpk= 20, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 ILE HG1- 49 ILE HB 3.30 (# 2229:20 Unique 2.48, 2.84 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 696, 697,
&end
#
# 49 ILE HA 49 ILE HB 3.50 (# 2230:20 Unique 2.76, 3.00 A)
&rst
ixpk= 2230, nxpk= 20, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE HA 49 ILE HG1- 3.50 (# 2231:20 Unique 2.48, 3.04 A)
&rst
ixpk= 2231, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 696, 697,
&end
#
# 49 ILE HN 49 ILE HG1- 4.00 (# 2232:20 Unique 2.19, 3.64 A)
&rst
ixpk= 2232, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 696, 697,
&end
#
# 49 ILE MG2 49 ILE HG1- 3.50 (# 2233:20 Unique 2.03, 3.17 A)
&rst
ixpk= 2233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 692, 693, 694,
igr2= 696, 697,
&end
#
# 49 ILE HA 49 ILE MD1 4.50 (# 2234:20 Unique 4.03, 4.48 A)
&rst
ixpk= 2234, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 699, 700, 701,
&end
#
# 49 ILE HN 49 ILE MD1 3.80 (# 2236:20 Unique 2.27, 3.46 A)
&rst
ixpk= 2236, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 699, 700, 701,
&end
#
# 0 AMB 20-2:2237 0 AMB 20-1:2237 2.80 (# 2237:20 Double Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1484,1485,1486, 699, 700, 701,1711,1712,1713, 696,
697,
igr2=1477,1478,1479, 692, 693, 694,
&end
#
# 0 AMB 20-2:2238 0 AMB 20-1:2238 5.50 (# 2238:20 Double Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1787,1788,2087,2088,
igr2=1477,1478,1479, 692, 693, 694,
&end
#
# 0 AMB 20-2:2239 102 ILE MG2 3.50 (# 2239:20 Single Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1481,1482,1268,1269,1270,
igr2=1477,1478,1479,
&end
#
# 102 ILE HB 102 ILE MG2 3.00 (# 2240:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2240, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1477,1478,1479,
&end
#
# 146 LEU HB+ 49 ILE MG2 3.50 (# 2241:20 Unique 1.98, 3.11 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2160,2161,
igr2= 692, 693, 694,
&end
#
# 5 THR HN 50 TRP HA 4.20 (# 2243:20 Unique 3.35, 3.80 A)
&rst
ixpk= 2243, nxpk= 20, iat= 62, 707, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 THR HB 50 TRP HA 4.50 (# 2244:20 Unique 3.96, 4.17 A)
&rst
ixpk= 2244, nxpk= 20, iat= 66, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HB- 50 TRP HA 3.00 (# 2245:20 Unique 2.26, 2.62 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 709, 710,
&end
#
# 0 AMB 20-2:2246 50 TRP HA 5.50 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 50 TRP HN 50 TRP HA 3.20 (# 2247:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2247, nxpk= 20, iat= 705, 707, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 TRP HA 50 TRP HB+ 3.00 (# 2248:20 Unique 2.26, 2.62 A)
&rst
ixpk= 2248, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 709, 710,
&end
#
# 50 TRP HA 50 TRP HB- 3.00 (# 2249:20 Unique 2.26, 2.62 A)
&rst
ixpk= 2249, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 709, 710,
&end
#
# 85 PHE HB+ 50 TRP HB- 5.00 (# 2251:20 Unique 2.62, 4.63 A)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1241,1242,
igr2= 709, 710,
&end
#
# 85 PHE HB+ 50 TRP HB+ 5.00 (# 2252:20 Unique 2.62, 4.63 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1241,1242,
igr2= 709, 710,
&end
#
# 7 ILE HG1- 50 TRP HB+ 4.00 (# 2253:20 Unique 2.19, 3.76 A)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 105, 106,
igr2= 709, 710,
&end
#
# 7 ILE MD1 50 TRP HB+ 3.80 (# 2254:20 Unique 2.08, 3.37 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 108, 109, 110,
igr2= 709, 710,
&end
#
# 7 ILE MD1 50 TRP HB- 3.80 (# 2255:20 Unique 2.08, 3.37 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 108, 109, 110,
igr2= 709, 710,
&end
#
# 83 VAL MGX 50 TRP HB- 5.50 (# 2256:20 Unique 4.41, 7.08 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 709, 710,
&end
#
# 83 VAL MGX 50 TRP HB+ 5.50 (# 2257:20 Unique 4.41, 7.08 A)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 709, 710,
&end
#
# 6 LEU MDX 51 LEU HB+ 4.30 (# 2258:20 Unique 1.98, 3.70 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:2259 51 LEU HB- 4.50 (# 2259:20 Single Ambig)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 83, 317, 318, 319,
igr2= 733, 734,
&end
#
# 51 LEU MDX 51 LEU HB- 3.80 (# 2260:20 Unique 2.20, 3.30 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 51 LEU MDX 51 LEU HB+ 3.80 (# 2261:20 Unique 2.20, 3.30 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 51 LEU HA 51 LEU HB- 3.00 (# 2262:20 Unique 2.33, 2.71 A)
&rst
ixpk= 2262, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 51 LEU HA 51 LEU HB+ 3.00 (# 2263:20 Unique 2.33, 2.71 A)
&rst
ixpk= 2263, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 51 LEU HN 51 LEU HB- 3.20 (# 2264:20 Unique 2.39, 2.84 A)
&rst
ixpk= 2264, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 733, 734,
&end
#
# 51 LEU HN 51 LEU HB+ 3.20 (# 2265:20 Unique 2.39, 2.84 A)
&rst
ixpk= 2265, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:2268 51 LEU HG 4.50 (# 2268:20 Single Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 0 AMB 20-2:2269 51 LEU HG 4.50 (# 2269:20 Single Ambig)
&rst
ixpk= 2269, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 768, 83, 317, 318, 319,
&end
#
# 51 LEU HB- 51 LEU HG 3.20 (# 2270:20 Unique 2.36, 2.71 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 733, 734,
&end
#
# 0 AMB 20-2:2271 51 LEU MDX 4.50 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 777, 778, 779, 303, 304, 305, 307, 308, 309, 774,
775,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 6 LEU MDX 51 LEU MDX 3.50 (# 2272:20 Unique 1.99, 5.10 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2273 51 LEU MDX 5.50 (# 2273:20 Single Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 774, 775, 80, 81,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HB- 51 LEU MDX 3.80 (# 2274:20 Unique 2.20, 3.30 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 733, 734,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 87 ALA HA 51 LEU MDX 5.50 (# 2275:20 Unique 4.01, 6.64 A)
&rst
ixpk= 2275, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2277 51 LEU MDX 5.50 (# 2277:20 Single Ambig)
&rst
ixpk= 2277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1700,1701,1239,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2279 51 LEU MDX 7.00 (# 2279:20 Single Ambig)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2093,1274,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 88 ILE MG2 51 LEU MDY 5.50 (# 2280:20 Unique 2.15, 6.20 A)
&rst
ixpk= 2280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1280,1281,1282,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2281 51 LEU MDY 2.80 (# 2281:20 Single Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 777, 778, 779, 303, 304, 305, 307, 308, 309, 774,
775,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2282 51 LEU MDY 4.50 (# 2282:20 Single Ambig)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 80, 81,1278,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HA 51 LEU MDY 4.30 (# 2283:20 Unique 1.98, 3.78 A)
&rst
ixpk= 2283, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2284 51 LEU MDY 5.50 (# 2284:20 Single Ambig)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 766, 78,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 52 VAL HA 52 VAL HB 2.80 (# 2286:20 Unique 2.42, 2.50 A)
&rst
ixpk= 2286, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2287 52 VAL HB 5.50 (# 2287:20 Single Ambig)
&rst
ixpk= 2287, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1266, 785,
&end
#
# 0 AMB 20-2:2288 0 AMB 20-1:2288 5.50 (# 2288:20 Double Ambig)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1651,1652,1473, 670,
igr2=1166,1167,1168,1170,1171,1172, 754, 755, 756, 758,
759, 760,
&end
#
# 69 PHE HD 52 VAL MGY 5.50 (# 2289:20 Unique 3.58, 7.58 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 991,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:2290 80 LEU MDX 5.50 (# 2290:20 Single Ambig)
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1656,1638,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 52 VAL HN 52 VAL MGY 4.00 (# 2291:20 Unique 1.92, 3.11 A)
&rst
ixpk= 2291, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:2292 80 LEU MDX 7.00 (# 2292:20 Single Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1187,1583,1624,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 52 VAL HB 52 VAL MGX 2.80 (# 2293:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2293, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 50 TRP HB+ 52 VAL MGX 4.50 (# 2294:20 Unique 3.23, 5.86 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 709, 710,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 51 LEU HA 52 VAL MGX 6.00 (# 2295:20 Unique 3.80, 4.97 A)
&rst
ixpk= 2295, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 69 PHE HD 52 VAL MGX 4.50 (# 2296:20 Unique 3.58, 7.58 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 85 PHE HA 52 VAL MGX 4.50 (# 2297:20 Unique 3.69, 5.46 A)
&rst
ixpk= 2297, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 53 ILE HN 52 VAL MGX 4.50 (# 2298:20 Unique 4.03, 4.85 A)
&rst
ixpk= 2298, nxpk= 20, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 53 ILE HG1- 53 ILE HB 3.40 (# 2299:20 Unique 2.68, 2.85 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 774, 775,
&end
#
# 53 ILE HN 53 ILE HB 3.40 (# 2300:20 Unique 2.77, 2.82 A)
&rst
ixpk= 2300, nxpk= 20, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &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= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
igr2= 774, 775, 774, 775,
&end
#
# 0 AMB 20-2:2302 0 AMB 20-1:2302 4.50 (# 2302:20 Double Ambig)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1287,1288,1289, 56, 57, 58, 738, 739, 740, 742,
743, 744,
igr2= 774, 775, 53, 54,
&end
#
# 19 ALA MB 53 ILE HG1- 3.50 (# 2303:20 Unique 3.69, 5.21 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 256, 257, 258,
igr2= 774, 775,
&end
#
# 53 ILE HA 53 ILE HG1+ 3.30 (# 2304:20 Unique 2.42, 2.92 A)
&rst
ixpk= 2304, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 774, 775,
&end
#
# 53 ILE HA 53 ILE HG1- 3.30 (# 2305:20 Unique 2.42, 2.92 A)
&rst
ixpk= 2305, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 774, 775,
&end
#
# 53 ILE HB 53 ILE MD1 3.30 (# 2306:20 Unique 2.03, 2.86 A)
&rst
ixpk= 2306, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:2307 53 ILE MD1 5.50 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 80, 81, 298, 299,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:2308 53 ILE MD1 5.50 (# 2308:20 Single Ambig)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 766, 78,
igr2= 777, 778, 779,
&end
#
# 88 ILE MG2 53 ILE MG2 4.30 (# 2309:20 Unique 1.99, 3.80 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1280,1281,1282,
igr2= 770, 771, 772,
&end
#
# 88 ILE MD1 53 ILE MG2 4.50 (# 2310:20 Unique 2.17, 5.15 A)
&rst
ixpk= 2310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1287,1288,1289,
igr2= 770, 771, 772,
&end
#
# 0 AMB 20-2:2311 53 ILE MG2 3.50 (# 2311:20 Single Ambig)
&rst
ixpk= 2311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 774, 775,1310,1311,
igr2= 770, 771, 772,
&end
#
# 15 ALA MB 53 ILE MG2 3.50 (# 2312:20 Unique 1.99, 3.49 A)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 194, 195, 196,
igr2= 770, 771, 772,
&end
#
# 53 ILE HB 53 ILE MG2 3.00 (# 2313:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2313, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 770, 771, 772,
&end
#
# 18 VAL HB 53 ILE MG2 5.50 (# 2315:20 Unique 4.51, 5.64 A)
&rst
ixpk= 2315, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 770, 771, 772,
&end
#
# 54 SER HN 53 ILE MG2 4.50 (# 2316:20 Unique 2.85, 3.89 A)
&rst
ixpk= 2316, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 770, 771, 772,
&end
#
# 53 ILE HN 53 ILE MG2 5.30 (# 2317:20 Unique 4.44, 4.75 A)
&rst
ixpk= 2317, nxpk= 20, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 770, 771, 772,
&end
#
# 90 ILE HA 53 ILE MG2 7.00 (# 2318:20 Unique 5.51, 6.71 A)
&rst
ixpk= 2318, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 770, 771, 772,
&end
#
# 54 SER HB- 54 SER HA 2.80 (# 2319:20 Unique 2.27, 2.47 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 787, 788,
&end
#
# 0 AMB 20-2:2320 54 SER HA 5.50 (# 2320:20 Single Ambig)
&rst
ixpk= 2320, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486,1310,
1311,
&end
#
# 0 AMB 20-2:2321 54 SER HA 5.50 (# 2321:20 Single Ambig)
&rst
ixpk= 2321, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 194, 195, 196,1475, 876,
&end
#
# 54 SER HN 54 SER HA 3.30 (# 2322:20 Unique 2.92, 2.94 A)
&rst
ixpk= 2322, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 SER HB+ 54 SER HB- 7.00 (# 2323:20 Unique 5.66, 7.01 A)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 954, 955,
igr2= 787, 788,
&end
#
# 0 AMB 20-2:2324 0 AMB 20-1:2324 5.50 (# 2324:20 Double Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 954, 955, 954, 955,
igr2= 787, 788, 787, 788,
&end
#
# 54 SER HA 54 SER HB- 2.80 (# 2325:20 Unique 2.27, 2.47 A)
&rst
ixpk= 2325, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 787, 788,
&end
#
# 54 SER HA 54 SER HB+ 2.80 (# 2326:20 Unique 2.27, 2.47 A)
&rst
ixpk= 2326, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 787, 788,
&end
#
# 55 SER HN 54 SER HB+ 3.80 (# 2327:20 Unique 2.39, 3.24 A)
&rst
ixpk= 2327, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 787, 788,
&end
#
# 54 SER HN 54 SER HB- 3.50 (# 2328:20 Unique 2.41, 3.18 A)
&rst
ixpk= 2328, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 787, 788,
&end
#
# 0 AMB 20-2:2330 55 SER HA 7.00 (# 2330:20 Single Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1, 796, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1306,1307,1308, 166, 167, 168, 170, 171, 172,
&end
#
# 56 THR HN 55 SER HA 2.80 (# 2332:20 Unique 2.14, 2.31 A)
&rst
ixpk= 2332, nxpk= 20, iat= 805, 796, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 THR HN 0 AMB 20-1:2333 4.50 (# 2333:20 Single Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 798, 799, 798, 799,
&end
#
# 0 AMB 20-2:2334 0 AMB 20-1:2334 4.50 (# 2334:20 Double Ambig)
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 895, 896, 895, 896, 194, 195, 196,
igr2= 798, 799, 798, 799, 798, 799,
&end
#
# 0 AMB 20-2:2335 0 AMB 20-1:2335 4.50 (# 2335:20 Double Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 895, 896,1310,1311,
igr2= 798, 799, 798, 799, 798, 799,
&end
#
# 80 LEU HG 112 SER HB- 3.50 (# 2336:20 Unique 2.00, 3.10 A)
&rst
ixpk= 2336, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 0 AMB 20-2:2337 112 SER HB- 5.50 (# 2337:20 Single Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1161,1162,1116,1117,
igr2=1642,1643,
&end
#
# 56 THR MG2 56 THR HA 3.30 (# 2338:20 Unique 2.12, 2.84 A)
&rst
ixpk= 2338, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 811, 812, 813,
&end
#
# 56 THR HN 56 THR HB 4.20 (# 2339:20 Unique 3.15, 3.48 A)
&rst
ixpk= 2339, nxpk= 20, iat= 805, 809, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 20-2:2340 56 THR MG2 5.50 (# 2340:20 Single Ambig)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1463, 821,1456,1457,
igr2= 811, 812, 813,
&end
#
# 56 THR HN 56 THR MG2 4.50 (# 2341:20 Unique 2.72, 4.17 A)
&rst
ixpk= 2341, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 100 GLY HN 56 THR MG2 6.00 (# 2342:20 Unique 3.66, 5.07 A)
&rst
ixpk= 2342, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 61 ASP HN 56 THR MG2 4.80 (# 2343:20 Unique 2.27, 4.30 A)
&rst
ixpk= 2343, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 811, 812, 813,
&end
#
# 58 GLY HN 57 HIS HA 3.80 (# 2344:20 Unique 2.25, 3.26 A)
&rst
ixpk= 2344, nxpk= 20, iat= 836, 821, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 57 HIS HB+ 57 HIS HA 3.10 (# 2345:20 Unique 2.40, 2.76 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 823, 824,
&end
#
# 57 HIS HB- 57 HIS HA 3.10 (# 2346:20 Unique 2.40, 2.76 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 823, 824,
&end
#
# 58 GLY HN 58 GLY HA- 3.10 (# 2347:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2347, nxpk= 20, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 838, 839,
&end
#
# 97 THR HN 58 GLY HA+ 5.30 (# 2348:20 Unique 3.42, 4.89 A)
&rst
ixpk= 2348, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 838, 839,
&end
#
# 97 THR HN 58 GLY HA- 5.30 (# 2349:20 Unique 3.42, 4.89 A)
&rst
ixpk= 2349, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 838, 839,
&end
#
# 60 GLY HN 59 ALA HA 3.50 (# 2350:20 Unique 2.47, 3.06 A)
&rst
ixpk= 2350, nxpk= 20, iat= 853, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2351 59 ALA MB 5.50 (# 2351:20 Single Ambig)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 864, 865, 864, 865, 823, 824,
igr2= 847, 848, 849,
&end
#
# 0 AMB 20-2:2352 23 ALA MB 4.50 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 383, 384, 383, 384, 327, 328,
igr2= 317, 318, 319,
&end
#
# 61 ASP HN 59 ALA MB 5.30 (# 2353:20 Unique 3.13, 4.84 A)
&rst
ixpk= 2353, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 847, 848, 849,
&end
#
# 60 GLY HN 59 ALA MB 4.80 (# 2354:20 Unique 3.01, 4.26 A)
&rst
ixpk= 2354, nxpk= 20, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 847, 848, 849,
&end
#
# 60 GLY HN 60 GLY HA- 3.00 (# 2355:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2355, nxpk= 20, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 855, 856,
&end
#
# 62 ILE MG2 62 ILE HA 3.20 (# 2356:20 Unique 1.93, 2.81 A)
&rst
ixpk= 2356, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 878, 879, 880,
&end
#
# 0 AMB 20-2:2357 0 AMB 20-1:2357 4.50 (# 2357:20 Double Ambig)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 876,1590,
igr2= 874,1526,
&end
#
# 62 ILE HN 62 ILE HA 3.30 (# 2358:20 Unique 2.85, 2.94 A)
&rst
ixpk= 2358, nxpk= 20, iat= 872, 874, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 ILE MD1 62 ILE HB 3.50 (# 2359:20 Unique 2.42, 3.16 A)
&rst
ixpk= 2359, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 885, 886, 887,
&end
#
# 102 ILE HA 102 ILE HB 3.00 (# 2360:20 Unique 2.36, 2.44 A)
&rst
ixpk= 2360, nxpk= 20, iat=1473,1475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 ILE HN 102 ILE HB 3.20 (# 2361:20 Unique 2.56, 2.80 A)
&rst
ixpk= 2361, nxpk= 20, iat=1471,1475, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 62 ILE MD1 62 ILE HG1+ 3.00 (# 2362:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 885, 886, 887,
igr2= 882, 883,
&end
#
# 62 ILE MG2 62 ILE HG1- 4.00 (# 2363:20 Unique 2.35, 3.51 A)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 878, 879, 880,
igr2= 882, 883,
&end
#
# 62 ILE HB 62 ILE HG1+ 4.20 (# 2364:20 Unique 2.43, 2.74 A)
&rst
ixpk= 2364, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 882, 883,
&end
#
# 62 ILE HB 62 ILE HG1- 4.20 (# 2365:20 Unique 2.43, 2.74 A)
&rst
ixpk= 2365, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 882, 883,
&end
#
# 62 ILE MG2 62 ILE HG1+ 3.50 (# 2366:20 Unique 2.35, 3.51 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 878, 879, 880,
igr2= 882, 883,
&end
#
# 62 ILE HN 62 ILE HG1+ 2.80 (# 2367:20 Unique 2.10, 2.36 A)
&rst
ixpk= 2367, nxpk= 20, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 882, 883,
&end
#
# 62 ILE HN 62 ILE HG1- 2.80 (# 2368:20 Unique 2.10, 2.36 A)
&rst
ixpk= 2368, nxpk= 20, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 882, 883,
&end
#
# 62 ILE HA 62 ILE HG1- 4.00 (# 2369:20 Unique 2.61, 3.46 A)
&rst
ixpk= 2369, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 882, 883,
&end
#
# 62 ILE HA 62 ILE HG1+ 4.00 (# 2370:20 Unique 2.61, 3.46 A)
&rst
ixpk= 2370, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 882, 883,
&end
#
# 105 LEU MDY 62 ILE MD1 3.50 (# 2371:20 Unique 2.00, 4.24 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1533,1534,1535,1537,1538,1539,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:2372 62 ILE MD1 3.50 (# 2372:20 Single Ambig)
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1506,1507,1506,1507,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:2373 62 ILE MD1 4.50 (# 2373:20 Single Ambig)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 874,1526, 962, 963,
igr2= 885, 886, 887,
&end
#
# 67 SER HB+ 62 ILE MD1 5.00 (# 2374:20 Unique 2.70, 4.43 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 954, 955,
igr2= 885, 886, 887,
&end
#
# 103 ASP HN 62 ILE MD1 5.50 (# 2375:20 Unique 5.01, 7.04 A)
&rst
ixpk= 2375, nxpk= 20, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 885, 886, 887,
&end
#
# 105 LEU HN 62 ILE MD1 5.00 (# 2376:20 Unique 3.05, 4.43 A)
&rst
ixpk= 2376, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 885, 886, 887,
&end
#
# 62 ILE HN 62 ILE MD1 5.00 (# 2377:20 Unique 3.74, 4.49 A)
&rst
ixpk= 2377, nxpk= 20, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:2378 62 ILE MG2 3.50 (# 2378:20 Single Ambig)
&rst
ixpk= 2378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1465,1466,1467, 882, 883, 895, 896,
igr2= 878, 879, 880,
&end
#
# 0 AMB 20-2:2379 62 ILE MG2 3.50 (# 2379:20 Single Ambig)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876, 895, 896,
igr2= 878, 879, 880,
&end
#
# 0 AMB 20-2:2380 62 ILE MG2 3.50 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1531, 935, 936,
igr2= 878, 879, 880,
&end
#
# 66 LEU MDY 62 ILE MG2 3.50 (# 2381:20 Unique 3.98, 6.70 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 878, 879, 880,
&end
#
# 67 SER HB+ 62 ILE MG2 5.50 (# 2382:20 Unique 2.49, 5.02 A)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 954, 955,
igr2= 878, 879, 880,
&end
#
# 66 LEU HN 62 ILE MG2 5.50 (# 2383:20 Unique 3.19, 5.45 A)
&rst
ixpk= 2383, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 878, 879, 880,
&end
#
# 67 SER HN 62 ILE MG2 5.00 (# 2384:20 Unique 2.38, 4.68 A)
&rst
ixpk= 2384, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 878, 879, 880,
&end
#
# 0 AMB 20-2:2385 62 ILE MG2 7.00 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1524, 995,
igr2= 878, 879, 880,
&end
#
# 57 HIS HB+ 63 PRO HA 5.50 (# 2386:20 Unique 4.48, 5.64 A)
&rst
ixpk= 2386, nxpk= 20, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 823, 824,
&end
#
# 0 AMB 20-2:2387 63 PRO HA 5.50 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 823, 824, 864, 865, 864, 865,
&end
#
# 0 AMB 20-2:2388 0 AMB 20-1:2388 4.50 (# 2388:20 Double Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 149, 150, 151, 588, 589, 590, 592, 593, 594,1533,
1534,1535,1537,1538,1539,
igr2= 898, 899,1138,1139,1506,1507,
&end
#
# 0 AMB 20-2:2389 0 AMB 20-1:2389 4.50 (# 2389:20 Double Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1161,1162,1509,1510,1509,1510,1509,1510, 895, 896,
igr2=1201,1506,1507,1506,1507,1506,1507, 898, 899,
&end
#
# 63 PRO HG+ 63 PRO HB+ 2.80 (# 2391:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 895, 896,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2392 0 AMB 20-1:2392 4.50 (# 2392:20 Double Ambig)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1512,1513,1512,1513, 895, 896,
igr2=1506,1507,1506,1507, 898, 899,
&end
#
# 0 AMB 20-2:2393 63 PRO HB- 5.50 (# 2393:20 Single Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 901, 892, 893,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2394 0 AMB 20-1:2394 7.00 (# 2394:20 Double Ambig)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1132,1133,1642,1643,
igr2=1138,1139,1138,1139,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 4.50 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 905,1145, 926, 927,
igr2= 898, 899,1138,1139,
&end
#
# 63 PRO HD+ 63 PRO HG+ 2.80 (# 2398:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 892, 893,
igr2= 895, 896,
&end
#
# 63 PRO HD+ 63 PRO HG- 2.80 (# 2399:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 892, 893,
igr2= 895, 896,
&end
#
# 63 PRO HD- 63 PRO HG- 2.80 (# 2400:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 892, 893,
igr2= 895, 896,
&end
#
# 63 PRO HD- 63 PRO HG+ 2.80 (# 2401:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 892, 893,
igr2= 895, 896,
&end
#
# 0 AMB 20-2:2402 0 AMB 20-1:2402 7.00 (# 2402:20 Double Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 134,1302,
igr2= 895, 896,1310,1311,
&end
#
# 67 SER HB+ 63 PRO HD- 5.50 (# 2405:20 Unique 3.72, 5.14 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 954, 955,
igr2= 892, 893,
&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= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 954, 955, 954, 955,
igr2= 892, 893, 892, 893,
&end
#
# 62 ILE HA 63 PRO HD- 2.80 (# 2407:20 Unique 2.16, 2.34 A)
&rst
ixpk= 2407, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 892, 893,
&end
#
# 62 ILE MG2 63 PRO HD- 3.80 (# 2408:20 Unique 1.96, 3.32 A)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 878, 879, 880,
igr2= 892, 893,
&end
#
# 0 AMB 20-2:2409 63 PRO HD- 4.50 (# 2409:20 Single Ambig)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 876,
igr2= 892, 893,
&end
#
# 0 AMB 20-2:2410 0 AMB 20-1:2410 5.50 (# 2410:20 Double Ambig)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 895, 896, 876,
igr2= 892, 893, 892, 893,
&end
#
# 65 ASN HN 64 ASP HA 3.50 (# 2411:20 Unique 3.00, 3.05 A)
&rst
ixpk= 2411, nxpk= 20, iat= 917, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 SER HN 64 ASP HA 4.30 (# 2412:20 Unique 3.52, 3.90 A)
&rst
ixpk= 2412, nxpk= 20, iat= 950, 907, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 66 LEU HN 64 ASP HA 5.00 (# 2413:20 Unique 4.36, 4.56 A)
&rst
ixpk= 2413, nxpk= 20, iat= 931, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 LEU HN 65 ASN HA 4.00 (# 2414:20 Unique 3.54, 3.56 A)
&rst
ixpk= 2414, nxpk= 20, iat= 931, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 ASN HD2+ 65 ASN HB- 3.50 (# 2415:20 Unique 2.20, 3.11 A)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 926, 927,
igr2= 921, 922,
&end
#
# 65 ASN HD2+ 65 ASN HB+ 3.50 (# 2416:20 Unique 2.20, 3.11 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 926, 927,
igr2= 921, 922,
&end
#
# 65 ASN HD2- 65 ASN HB+ 3.50 (# 2417:20 Unique 2.20, 3.11 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 926, 927,
igr2= 921, 922,
&end
#
# 65 ASN HN 65 ASN HB+ 3.40 (# 2418:20 Unique 2.16, 2.91 A)
&rst
ixpk= 2418, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 921, 922,
&end
#
# 65 ASN HN 65 ASN HB- 3.40 (# 2419:20 Unique 2.16, 2.91 A)
&rst
ixpk= 2419, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 921, 922,
&end
#
# 62 ILE MG2 66 LEU HB- 4.50 (# 2420:20 Unique 3.22, 4.49 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 878, 879, 880,
igr2= 935, 936,
&end
#
# 66 LEU HA 66 LEU HB- 3.30 (# 2421:20 Unique 2.58, 2.82 A)
&rst
ixpk= 2421, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 935, 936,
&end
#
# 66 LEU HA 66 LEU HB+ 3.30 (# 2422:20 Unique 2.58, 2.82 A)
&rst
ixpk= 2422, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 935, 936,
&end
#
# 66 LEU HN 66 LEU HB+ 3.30 (# 2423:20 Unique 2.20, 2.88 A)
&rst
ixpk= 2423, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 935, 936,
&end
#
# 66 LEU HN 66 LEU HB- 3.30 (# 2424:20 Unique 2.20, 2.88 A)
&rst
ixpk= 2424, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 935, 936,
&end
#
# 66 LEU HB- 66 LEU MDX 3.80 (# 2425:20 Unique 2.11, 3.32 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 935, 936,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 105 LEU MDY 66 LEU MDX 4.50 (# 2426:20 Unique 2.11, 5.56 A)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1533,1534,1535,1537,1538,1539,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 20-2:2427 66 LEU MDX 4.50 (# 2427:20 Single Ambig)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 787, 788, 547, 548,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 38 GLY HA+ 66 LEU MDX 5.30 (# 2428:20 Unique 2.07, 4.73 A)
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 541, 542,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 9 GLY HA- 66 LEU MDX 3.80 (# 2429:20 Unique 1.98, 3.49 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 127, 128,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 37 HIS HN 36 LEU MDY 5.50 (# 2430:20 Unique 2.87, 5.13 A)
&rst
ixpk= 2430, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 54 SER HB+ 66 LEU MDY 5.50 (# 2431:20 Unique 1.96, 4.91 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 787, 788,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 9 GLY HA+ 66 LEU MDY 3.80 (# 2432:20 Unique 1.98, 3.49 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 127, 128,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 38 GLY HA- 66 LEU MDY 5.30 (# 2433:20 Unique 2.07, 4.73 A)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 541, 542,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 9 GLY HA- 66 LEU MDY 3.80 (# 2434:20 Unique 1.98, 3.49 A)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 127, 128,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 54 SER HA 66 LEU MDY 4.50 (# 2435:20 Unique 2.04, 4.12 A)
&rst
ixpk= 2435, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 69 PHE HD 66 LEU MDY 5.50 (# 2436:20 Unique 2.85, 6.76 A)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 991,
igr2= 940, 941, 942, 944, 945, 946,
&end
#
# 67 SER HB+ 67 SER HA 3.00 (# 2437:20 Unique 2.28, 2.68 A)
&rst
ixpk= 2437, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 954, 955,
&end
#
# 67 SER HB- 67 SER HA 3.00 (# 2438:20 Unique 2.28, 2.68 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 954, 955,
&end
#
# 62 ILE MD1 67 SER HA 3.20 (# 2439:20 Unique 1.99, 2.85 A)
&rst
ixpk= 2439, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 885, 886, 887,
&end
#
# 70 TYR HD 67 SER HA 6.50 (# 2440:20 Unique 5.05, 6.05 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1003,1012,
&end
#
# 0 AMB 20-2:2441 67 SER HA 5.50 (# 2441:20 Single Ambig)
&rst
ixpk= 2441, nxpk= 20, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 995,1524,
&end
#
# 67 SER HA 67 SER HB+ 3.00 (# 2442:20 Unique 2.28, 2.68 A)
&rst
ixpk= 2442, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 954, 955,
&end
#
# 68 PRO HD- 67 SER HB+ 3.50 (# 2443:20 Unique 1.89, 3.07 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 962, 963,
igr2= 954, 955,
&end
#
# 68 PRO HD- 67 SER HB- 3.50 (# 2444:20 Unique 1.89, 3.07 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 962, 963,
igr2= 954, 955,
&end
#
# 68 PRO HD+ 68 PRO HA 4.30 (# 2446:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 962, 963,
&end
#
# 0 AMB 20-2:2447 68 PRO HA 4.50 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995,1031,
&end
#
# 0 AMB 20-2:2448 68 PRO HA 5.50 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 77 LYS HN 76 GLN HB- 3.80 (# 2449:20 Unique 2.66, 3.35 A)
&rst
ixpk= 2449, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1096,1097,
&end
#
# 77 LYS HN 76 GLN HB+ 3.80 (# 2450:20 Unique 2.66, 3.35 A)
&rst
ixpk= 2450, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1096,1097,
&end
#
# 68 PRO HG+ 68 PRO HD- 2.80 (# 2452:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 69 PHE HB+ 69 PHE HA 3.20 (# 2453:20 Unique 2.39, 2.73 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 979, 980,
&end
#
# 0 AMB 20-2:2454 69 PHE HA 4.50 (# 2454:20 Single Ambig)
&rst
ixpk= 2454, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995,1031,
&end
#
# 41 LEU HN 69 PHE HA 3.80 (# 2455:20 Unique 2.95, 3.48 A)
&rst
ixpk= 2455, nxpk= 20, iat= 579, 977, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:2456 0 AMB 20-1:2456 4.50 (# 2456:20 Double Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 940, 941, 942, 944, 945, 946,1592,1593,1594,1596,
1597,1598,
igr2= 979, 980, 979, 980,
&end
#
# 69 PHE HA 69 PHE HB+ 3.20 (# 2457:20 Unique 2.39, 2.73 A)
&rst
ixpk= 2457, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 979, 980,
&end
#
# 69 PHE HD 69 PHE HB- 3.50 (# 2458:20 Unique 2.28, 3.05 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 983, 991,
igr2= 979, 980,
&end
#
# 69 PHE HD 69 PHE HB+ 3.50 (# 2459:20 Unique 2.28, 3.05 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 983, 991,
igr2= 979, 980,
&end
#
# 70 TYR HN 69 PHE HB- 4.00 (# 2460:20 Unique 2.59, 3.46 A)
&rst
ixpk= 2460, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 979, 980,
&end
#
# 70 TYR HN 69 PHE HB+ 4.00 (# 2461:20 Unique 2.59, 3.46 A)
&rst
ixpk= 2461, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 979, 980,
&end
#
# 73 LEU HB- 70 TYR HA 3.80 (# 2462:20 Unique 2.33, 3.25 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1045,1046,
&end
#
# 0 AMB 20-2:2463 70 TYR HA 5.50 (# 2463:20 Single Ambig)
&rst
ixpk= 2463, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1048,1509,1510,1509,1510,
&end
#
# 73 LEU HN 70 TYR HA 4.00 (# 2464:20 Unique 3.39, 3.57 A)
&rst
ixpk= 2464, nxpk= 20, iat=1041, 997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 TYR HA 70 TYR HB+ 3.10 (# 2467:20 Unique 2.32, 2.70 A)
&rst
ixpk= 2467, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 999,1000,
&end
#
# 62 ILE MD1 70 TYR HB- 5.00 (# 2468:20 Unique 3.67, 4.54 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 885, 886, 887,
igr2= 999,1000,
&end
#
# 62 ILE MD1 70 TYR HB+ 5.00 (# 2469:20 Unique 3.67, 4.54 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 885, 886, 887,
igr2= 999,1000,
&end
#
# 105 LEU MDY 70 TYR HB- 5.00 (# 2470:20 Unique 1.96, 4.55 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1533,1534,1535,1537,1538,1539,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:2471 0 AMB 20-1:2471 5.50 (# 2471:20 Double Ambig)
&rst
ixpk= 2471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 878, 879, 880,1481,1482,
igr2= 999,1000, 999,1000,
&end
#
# 67 SER HA 70 TYR HB+ 4.50 (# 2472:20 Unique 3.34, 3.98 A)
&rst
ixpk= 2472, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 999,1000,
&end
#
# 71 GLU HN 70 TYR HB+ 3.50 (# 2473:20 Unique 2.05, 3.12 A)
&rst
ixpk= 2473, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 999,1000,
&end
#
# 75 GLU HN 0 AMB 20-1:2474 4.50 (# 2474:20 Single Ambig)
&rst
ixpk= 2474, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1062,1018,
&end
#
# 108 GLU HN 107 ALA HA 4.00 (# 2475:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2475, nxpk= 20, iat=1568,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 LYS HN 107 ALA HA 4.20 (# 2476:20 Unique 3.64, 3.83 A)
&rst
ixpk= 2476, nxpk= 20, iat=1602,1560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 75 GLU HN 72 ALA HA 3.50 (# 2477:20 Unique 3.07, 3.14 A)
&rst
ixpk= 2477, nxpk= 20, iat=1077,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HB- 72 ALA MB 3.50 (# 2478:20 Unique 2.28, 3.90 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 583, 584,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:2479 72 ALA MB 4.50 (# 2479:20 Single Ambig)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1081,1082,1081,1082, 968, 969,1020,1021,1020,1021,
igr2=1035,1036,1037,
&end
#
# 76 GLN HG+ 72 ALA MB 4.50 (# 2480:20 Unique 3.29, 4.99 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1099,1100,
igr2=1035,1036,1037,
&end
#
# 69 PHE HA 72 ALA MB 3.50 (# 2481:20 Unique 2.59, 3.89 A)
&rst
ixpk= 2481, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1035,1036,1037,
&end
#
# 69 PHE HD 72 ALA MB 7.00 (# 2482:20 Unique 3.04, 6.16 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 983, 991,
igr2=1035,1036,1037,
&end
#
# 73 LEU HG 73 LEU HA 3.00 (# 2483:20 Unique 2.53, 2.66 A)
&rst
ixpk= 2483, nxpk= 20, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 LEU MDX 73 LEU HA 4.20 (# 2484:20 Unique 1.99, 3.83 A)
&rst
ixpk= 2484, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB- 73 LEU HA 3.20 (# 2485:20 Unique 2.56, 2.81 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1045,1046,
&end
#
# 0 AMB 20-2:2486 73 LEU HA 4.50 (# 2486:20 Single Ambig)
&rst
ixpk= 2486, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1135,1136,1135,1136,1096,1097,1572,1573,
&end
#
# 78 PRO HD- 73 LEU HA 3.50 (# 2487:20 Unique 2.93, 3.52 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 0 AMB 20-2:2488 73 LEU HA 5.50 (# 2488:20 Single Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1109,1060,
&end
#
# 73 LEU MDY 73 LEU HB- 3.80 (# 2489:20 Unique 2.14, 3.25 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 108 GLU HB+ 73 LEU HB- 4.20 (# 2490:20 Unique 2.00, 3.75 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1572,1573,
igr2=1045,1046,
&end
#
# 74 GLN HN 73 LEU HB+ 3.50 (# 2492:20 Unique 2.43, 3.01 A)
&rst
ixpk= 2492, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:2493 0 AMB 20-1:2493 4.50 (# 2493:20 Double Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1515,1516,1515,1516,1515,1516,
igr2=1509,1510,1509,1510,1509,1510,
&end
#
# 104 LYS HA 0 AMB 20-1:2494 5.50 (# 2494:20 Single Ambig)
&rst
ixpk= 2494, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1509,1510,1509,1510,
&end
#
# 73 LEU HN 73 LEU HG 3.20 (# 2495:20 Unique 2.50, 2.87 A)
&rst
ixpk= 2495, nxpk= 20, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 41 LEU MDY 73 LEU MDX 4.50 (# 2496:20 Unique 2.09, 5.57 A)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 123 ILE HG1+ 121 LEU MDY 6.50 (# 2497:20 Unique 2.66, 5.79 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1806,1807,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:2498 73 LEU MDX 5.50 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1572,1573,1135,1136,1135,1136,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 77 LYS HA 73 LEU MDX 5.50 (# 2500:20 Unique 3.43, 6.20 A)
&rst
ixpk= 2500, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB+ 73 LEU MDY 3.50 (# 2501:20 Unique 2.14, 3.25 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 108 GLU HB- 73 LEU MDY 6.00 (# 2502:20 Unique 1.97, 5.24 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1572,1573,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 69 PHE HD 73 LEU MDY 4.50 (# 2503:20 Unique 2.76, 5.06 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 75 GLU HN 0 AMB 20-1:2504 4.50 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1062,1018,
&end
#
# 75 GLU HN 74 GLN HB+ 4.50 (# 2505:20 Unique 3.94, 4.13 A)
&rst
ixpk= 2505, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1064,1065,
&end
#
# 74 GLN HE2+ 74 GLN HG- 3.80 (# 2508:20 Unique 2.50, 3.50 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 74 GLN HE2- 74 GLN HG- 4.00 (# 2509:20 Unique 2.50, 3.50 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 74 GLN HE2- 74 GLN HG+ 4.00 (# 2510:20 Unique 2.50, 3.50 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 147 LYS HN 147 LYS HB- 4.00 (# 2511:20 Unique 2.30, 3.47 A)
&rst
ixpk= 2511, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2179,2180,
&end
#
# 116 GLN HN 0 AMB 20-1:2512 5.50 (# 2512:20 Single Ambig)
&rst
ixpk= 2512, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1670,1671,1670,1671,
&end
#
# 75 GLU HB+ 75 GLU HA 2.80 (# 2513:20 Unique 2.42, 2.74 A)
&rst
ixpk= 2513, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1081,1082,
&end
#
# 75 GLU HG- 75 GLU HB+ 3.00 (# 2514:20 Unique 2.21, 2.64 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1084,1085,
igr2=1081,1082,
&end
#
# 76 GLN HN 75 GLU HB- 3.80 (# 2515:20 Unique 2.14, 3.32 A)
&rst
ixpk= 2515, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1081,1082,
&end
#
# 41 LEU MDX 76 GLN HB+ 5.50 (# 2516:20 Unique 2.00, 4.91 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1096,1097,
&end
#
# 78 PRO HD+ 76 GLN HB+ 4.80 (# 2517:20 Unique 2.29, 4.35 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1132,1133,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:2518 0 AMB 20-1:2518 5.50 (# 2518:20 Double Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1084,1085, 605, 606, 605, 606,
igr2=1099,1100,1099,1100,1099,1100,
&end
#
# 72 ALA MB 76 GLN HG- 5.50 (# 2519:20 Unique 3.29, 4.99 A)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1035,1036,1037,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:2520 0 AMB 20-1:2520 5.50 (# 2520:20 Double Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1035,1036,1037, 586,
igr2=1099,1100,1099,1100,
&end
#
# 72 ALA HA 76 GLN HG- 4.50 (# 2521:20 Unique 3.29, 3.96 A)
&rst
ixpk= 2521, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 76 GLN HA 76 GLN HG+ 3.50 (# 2522:20 Unique 2.60, 3.13 A)
&rst
ixpk= 2522, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 77 LYS HN 0 AMB 20-1:2523 5.50 (# 2523:20 Single Ambig)
&rst
ixpk= 2523, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1113,1114,1113,1114,
&end
#
# 77 LYS HG- 0 AMB 20-1:2524 3.50 (# 2524:20 Single Ambig)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1116,1117,
igr2=1113,1114,1113,1114,
&end
#
# 77 LYS HD+ 77 LYS HG- 3.00 (# 2525:20 Unique 2.22, 2.66 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1119,1120,
igr2=1116,1117,
&end
#
# 111 ASN HB- 77 LYS HG- 5.50 (# 2526:20 Unique 4.80, 6.20 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1628,1629,
igr2=1116,1117,
&end
#
# 111 ASN HB- 77 LYS HG+ 5.50 (# 2527:20 Unique 4.80, 6.20 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1628,1629,
igr2=1116,1117,
&end
#
# 77 LYS HA 77 LYS HG+ 3.50 (# 2528:20 Unique 2.42, 3.07 A)
&rst
ixpk= 2528, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1116,1117,
&end
#
# 77 LYS HA 77 LYS HG- 3.50 (# 2529:20 Unique 2.42, 3.07 A)
&rst
ixpk= 2529, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1116,1117,
&end
#
# 77 LYS HN 77 LYS HG- 4.50 (# 2530:20 Unique 4.46, 4.83 A)
&rst
ixpk= 2530, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1116,1117,
&end
#
# 77 LYS HN 77 LYS HG+ 5.50 (# 2531:20 Unique 4.46, 4.83 A)
&rst
ixpk= 2531, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1116,1117,
&end
#
# 77 LYS HG- 77 LYS HD- 3.00 (# 2532:20 Unique 2.22, 2.66 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1116,1117,
igr2=1119,1120,
&end
#
# 77 LYS HG+ 77 LYS HD- 3.00 (# 2533:20 Unique 2.22, 2.66 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1116,1117,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:2534 78 PRO HA 3.50 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1135,1136,1135,1136,1096,1097,
&end
#
# 117 THR HB 117 THR HA 3.20 (# 2535:20 Unique 2.90, 2.95 A)
&rst
ixpk= 2535, nxpk= 20, iat=1709,1707, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 120 THR HN 119 GLU HB- 3.80 (# 2537:20 Unique 2.62, 3.38 A)
&rst
ixpk= 2537, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1730,1731,
&end
#
# 119 GLU HN 119 GLU HB- 3.50 (# 2538:20 Unique 2.57, 3.28 A)
&rst
ixpk= 2538, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1730,1731,
&end
#
# 120 THR HN 119 GLU HB+ 3.80 (# 2539:20 Unique 2.62, 3.38 A)
&rst
ixpk= 2539, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1730,1731,
&end
#
# 80 LEU MDY 80 LEU HG 3.00 (# 2540:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2540, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 7 ILE HG1+ 5 THR MG2 4.50 (# 2541:20 Unique 2.62, 3.96 A)
&rst
ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 105, 106,
igr2= 68, 69, 70,
&end
#
# 7 ILE HG1- 5 THR MG2 3.50 (# 2542:20 Unique 2.62, 3.96 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 106,
igr2= 68, 69, 70,
&end
#
# 0 AMB 20-2:2543 0 AMB 20-1:2543 3.50 (# 2543:20 Double Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1161,1162,2141,2142,
igr2=1166,1167,1168,1170,1171,1172,2146,2147,2148,2150,
2151,2152,
&end
#
# 0 AMB 20-2:2544 81 SER HA 4.50 (# 2544:20 Single Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1658,1189,
&end
#
# 83 VAL HN 81 SER HA 4.50 (# 2546:20 Unique 3.59, 4.04 A)
&rst
ixpk= 2546, nxpk= 20, iat=1197,1178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 SER HN 81 SER HA 3.00 (# 2547:20 Unique 2.28, 2.46 A)
&rst
ixpk= 2547, nxpk= 20, iat=1176,1178, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 TRP HN 141 SER HB+ 4.20 (# 2549:20 Unique 2.97, 3.71 A)
&rst
ixpk= 2549, nxpk= 20, iat=2083, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2076,2077,
&end
#
# 81 SER HN 81 SER HB- 3.50 (# 2550:20 Unique 2.13, 3.18 A)
&rst
ixpk= 2550, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1180,1181,
&end
#
# 83 VAL MGY 82 ALA MB 5.50 (# 2551:20 Unique 3.57, 6.68 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1191,1192,1193,
&end
#
# 47 SER HN 82 ALA MB 5.50 (# 2552:20 Unique 5.12, 6.36 A)
&rst
ixpk= 2552, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:2553 83 VAL HA 4.50 (# 2553:20 Single Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1201,1217,1218, 696, 697,
&end
#
# 80 LEU MDX 83 VAL HB 4.50 (# 2554:20 Unique 1.98, 4.21 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:2555 83 VAL HB 4.50 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1159,1658,
&end
#
# 0 AMB 20-2:2556 83 VAL HB 5.50 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1213,1176,
&end
#
# 0 AMB 20-2:2557 83 VAL MGY 3.50 (# 2557:20 Single Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660,1199,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HA 83 VAL MGY 3.50 (# 2558:20 Unique 2.31, 3.11 A)
&rst
ixpk= 2558, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HD1 83 VAL MGY 5.00 (# 2559:20 Unique 2.39, 4.41 A)
&rst
ixpk= 2559, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 47 SER HN 83 VAL MGY 4.50 (# 2560:20 Unique 2.20, 3.98 A)
&rst
ixpk= 2560, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HE1 83 VAL MGY 3.80 (# 2561:20 Unique 1.98, 3.38 A)
&rst
ixpk= 2561, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2562 146 LEU MDX 2.80 (# 2562:20 Single Ambig)
&rst
ixpk= 2562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 692, 693, 694,2163, 49, 50, 51,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 49 ILE HG1- 146 LEU MDX 4.50 (# 2563:20 Unique 1.98, 4.73 A)
&rst
ixpk= 2563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 696, 697,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 117 THR HB 146 LEU MDX 5.50 (# 2564:20 Unique 3.69, 5.74 A)
&rst
ixpk= 2564, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:2566 83 VAL MGY 4.50 (# 2566:20 Single Ambig)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 681, 682, 645, 646,1642,1643,1180,1181,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 114 ALA MB 83 VAL MGY 5.50 (# 2567:20 Unique 2.27, 5.01 A)
&rst
ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1660,1661,1662,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2568 146 LEU MDX 2.80 (# 2568:20 Single Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 49, 50, 51,1711,1712,1713,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:2569 83 VAL MGX 5.50 (# 2569:20 Single Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU MDY 83 VAL MGX 5.20 (# 2570:20 Unique 1.97, 4.80 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 85 PHE HB+ 83 VAL MGX 5.50 (# 2571:20 Unique 2.66, 6.26 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1241,1242,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HB- 83 VAL MGX 5.50 (# 2572:20 Unique 4.41, 7.08 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 709, 710,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HA 83 VAL MGX 5.50 (# 2573:20 Unique 1.95, 4.92 A)
&rst
ixpk= 2573, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HN 83 VAL MGX 5.50 (# 2575:20 Unique 3.52, 5.87 A)
&rst
ixpk= 2575, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 ARG HA 84 ARG HB+ 3.30 (# 2576:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2576, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1217,1218,
&end
#
# 0 AMB 20-2:2577 0 AMB 20-1:2577 7.00 (# 2577:20 Double Ambig)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1223,1224,1628,1629,
igr2=1220,1221,1609,1610,
&end
#
# 84 ARG HD- 84 ARG HG- 3.20 (# 2578:20 Unique 2.25, 2.70 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1223,1224,
igr2=1220,1221,
&end
#
# 125 ILE HB 125 ILE HG1+ 3.00 (# 2579:20 Unique 2.25, 2.68 A)
&rst
ixpk= 2579, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1839,1840,
&end
#
# 125 ILE MG2 125 ILE HG1+ 4.00 (# 2580:20 Unique 1.99, 3.46 A)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1835,1836,1837,
igr2=1839,1840,
&end
#
# 84 ARG HA 84 ARG HG- 3.50 (# 2581:20 Unique 2.07, 3.01 A)
&rst
ixpk= 2581, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 84 ARG HA 84 ARG HG+ 3.50 (# 2582:20 Unique 2.07, 3.01 A)
&rst
ixpk= 2582, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 125 ILE HN 125 ILE HG1+ 4.00 (# 2583:20 Unique 1.92, 3.68 A)
&rst
ixpk= 2583, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1839,1840,
&end
#
# 0 AMB 20-2:2584 0 AMB 20-1:2584 3.50 (# 2584:20 Double Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1217,1218,1670,1671,1670,1671,
igr2=1223,1224,1223,1224,1223,1224,
&end
#
# 0 AMB 20-2:2585 84 ARG HD- 3.50 (# 2585:20 Single Ambig)
&rst
ixpk= 2585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1217,1218,1670,1671,1670,1671,
igr2=1223,1224,
&end
#
# 49 ILE MG2 85 PHE HA 5.20 (# 2586:20 Unique 3.17, 4.71 A)
&rst
ixpk= 2586, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 692, 693, 694,
&end
#
# 0 AMB 20-2:2587 85 PHE HA 5.50 (# 2587:20 Single Ambig)
&rst
ixpk= 2587, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1237,2093,
&end
#
# 86 GLY HN 85 PHE HB+ 3.80 (# 2589:20 Unique 2.36, 3.34 A)
&rst
ixpk= 2589, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1241,1242,
&end
#
# 86 GLY HN 85 PHE HB- 3.80 (# 2590:20 Unique 2.36, 3.34 A)
&rst
ixpk= 2590, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1241,1242,
&end
#
# 51 LEU MDX 86 GLY HA- 4.50 (# 2591:20 Unique 1.99, 5.02 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 738, 739, 740, 742, 743, 744,
igr2=1259,1260,
&end
#
# 87 ALA HN 86 GLY HA+ 3.00 (# 2593:20 Unique 2.14, 2.63 A)
&rst
ixpk= 2593, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1259,1260,
&end
#
# 0 AMB 20-2:2594 0 AMB 20-1:2594 4.50 (# 2594:20 Double Ambig)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1257,1705,
igr2=1259,1260,1259,1260,
&end
#
# 0 AMB 20-2:2595 86 GLY HA- 4.50 (# 2595:20 Single Ambig)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1257,1705,
igr2=1259,1260,
&end
#
# 142 TRP HE1 86 GLY HA- 3.20 (# 2596:20 Unique 2.10, 2.71 A)
&rst
ixpk= 2596, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1259,1260,
&end
#
# 87 ALA HN 86 GLY HA- 3.00 (# 2597:20 Unique 2.14, 2.63 A)
&rst
ixpk= 2597, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1259,1260,
&end
#
# 116 GLN HE2- 86 GLY HA- 4.00 (# 2598:20 Unique 1.92, 3.46 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1700,1701,
igr2=1259,1260,
&end
#
# 116 GLN HE2- 86 GLY HA+ 4.00 (# 2599:20 Unique 1.92, 3.46 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1700,1701,
igr2=1259,1260,
&end
#
# 0 AMB 20-2:2600 87 ALA HA 5.50 (# 2600:20 Single Ambig)
&rst
ixpk= 2600, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 738, 739, 740, 742, 743, 744,1287,1288,1289,
&end
#
# 102 ILE MD1 87 ALA HA 4.20 (# 2601:20 Unique 2.01, 3.79 A)
&rst
ixpk= 2601, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1484,1485,1486,
&end
#
# 52 VAL HN 87 ALA HA 4.60 (# 2602:20 Unique 4.06, 4.27 A)
&rst
ixpk= 2602, nxpk= 20, iat= 748,1266, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 20-2:2603 87 ALA MB 3.50 (# 2603:20 Single Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1747,1748,1749,1481,1482,
igr2=1268,1269,1270,
&end
#
# 120 THR MG2 87 ALA MB 2.80 (# 2604:20 Unique 1.99, 3.50 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1747,1748,1749,
igr2=1268,1269,1270,
&end
#
# 0 AMB 20-2:2605 87 ALA MB 5.50 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1695,1696,1547,1548,1547,1548,
igr2=1268,1269,1270,
&end
#
# 116 GLN HE2- 87 ALA MB 4.50 (# 2607:20 Unique 1.94, 4.01 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1700,1701,
igr2=1268,1269,1270,
&end
#
# 121 LEU HB- 88 ILE HA 3.20 (# 2608:20 Unique 1.97, 2.74 A)
&rst
ixpk= 2608, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1759,1760,
&end
#
# 88 ILE HN 88 ILE HB 3.30 (# 2609:20 Unique 2.60, 2.81 A)
&rst
ixpk= 2609, nxpk= 20, iat=1274,1278, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 88 ILE MD1 88 ILE HB 3.50 (# 2610:20 Unique 2.30, 3.27 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1287,1288,1289,
&end
#
# 0 AMB 20-2:2611 88 ILE MD1 4.50 (# 2611:20 Single Ambig)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1764,1765,1766,1768,1769,1770, 303, 304, 305, 307,
308, 309,
igr2=1287,1288,1289,
&end
#
# 88 ILE HB 88 ILE MD1 3.50 (# 2612:20 Unique 2.30, 3.27 A)
&rst
ixpk= 2612, nxpk= 20, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:2613 88 ILE MD1 7.00 (# 2613:20 Single Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 766,1295,1296,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:2617 88 ILE MG2 3.50 (# 2617:20 Single Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:2618 88 ILE MG2 4.50 (# 2618:20 Single Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 738, 739, 740, 742, 743, 744,1284,1285,
igr2=1280,1281,1282,
&end
#
# 90 ILE HN 89 GLY HA+ 3.00 (# 2620:20 Unique 2.14, 2.65 A)
&rst
ixpk= 2620, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1295,1296,
&end
#
# 89 GLY HN 89 GLY HA+ 3.10 (# 2621:20 Unique 2.44, 2.72 A)
&rst
ixpk= 2621, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1295,1296,
&end
#
# 0 AMB 20-2:2622 89 GLY HA- 4.50 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1477,1478,1479,1481,1482,
igr2=1295,1296,
&end
#
# 0 AMB 20-2:2623 89 GLY HA- 4.50 (# 2623:20 Single Ambig)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1475, 194, 195, 196,
igr2=1295,1296,
&end
#
# 90 ILE HN 89 GLY HA- 3.00 (# 2624:20 Unique 2.14, 2.65 A)
&rst
ixpk= 2624, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1295,1296,
&end
#
# 89 GLY HN 89 GLY HA- 3.10 (# 2625:20 Unique 2.44, 2.72 A)
&rst
ixpk= 2625, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1295,1296,
&end
#
# 0 AMB 20-2:2626 90 ILE HA 4.50 (# 2626:20 Single Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1310,1311,1304,
&end
#
# 123 ILE HB 90 ILE HA 3.50 (# 2627:20 Unique 1.99, 3.00 A)
&rst
ixpk= 2627, nxpk= 20, iat=1800,1302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HG1+ 90 ILE HA 3.50 (# 2628:20 Unique 2.28, 3.06 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 55 SER HA 90 ILE HB 4.00 (# 2629:20 Unique 2.24, 3.51 A)
&rst
ixpk= 2629, nxpk= 20, iat= 796,1304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ILE HN 90 ILE HB 3.20 (# 2630:20 Unique 2.45, 2.85 A)
&rst
ixpk= 2630, nxpk= 20, iat=1300,1304, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:2631 90 ILE HB 4.50 (# 2631:20 Single Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 798, 799, 798, 799, 185, 186,
&end
#
# 90 ILE HA 0 AMB 20-1:2632 5.50 (# 2632:20 Single Ambig)
&rst
ixpk= 2632, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 0 AMB 20-2:2633 90 ILE MG2 3.50 (# 2633:20 Single Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1313,1314,1315, 242, 243, 244, 246, 247, 248,1809,
1810,1811,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:2634 90 ILE MG2 3.50 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1310,1311,1802,1803,1804,
igr2=1306,1307,1308,
&end
#
# 125 ILE MG2 90 ILE MG2 3.50 (# 2635:20 Unique 2.01, 4.22 A)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1835,1836,1837,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:2636 90 ILE MG2 3.50 (# 2636:20 Single Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1310,1311,1304,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:2637 90 ILE MG2 7.00 (# 2637:20 Single Ambig)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.63, r4=12.13,
igr1= 207, 208, 207, 208,1852,1853, 164,
igr2=1306,1307,1308,
&end
#
# 123 ILE HB 90 ILE MG2 4.00 (# 2638:20 Unique 1.99, 3.69 A)
&rst
ixpk= 2638, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1306,1307,1308,
&end
#
# 14 GLY HA+ 90 ILE MG2 4.50 (# 2640:20 Unique 2.23, 4.19 A)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 185, 186,
igr2=1306,1307,1308,
&end
#
# 55 SER HA 90 ILE MG2 5.50 (# 2642:20 Unique 3.88, 5.54 A)
&rst
ixpk= 2642, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1306,1307,1308,
&end
#
# 90 ILE HN 90 ILE MG2 5.00 (# 2643:20 Unique 3.33, 4.61 A)
&rst
ixpk= 2643, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1306,1307,1308,
&end
#
# 92 SER HN 91 GLY HA+ 3.20 (# 2644:20 Unique 2.14, 2.76 A)
&rst
ixpk= 2644, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1321,1322,
&end
#
# 125 ILE HN 92 SER HA 3.50 (# 2645:20 Unique 1.94, 3.06 A)
&rst
ixpk= 2645, nxpk= 20, iat=1829,1328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 SER HN 92 SER HA 3.20 (# 2646:20 Unique 2.28, 2.74 A)
&rst
ixpk= 2646, nxpk= 20, iat=1326,1328, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 92 SER HB+ 92 SER HA 2.80 (# 2647:20 Unique 2.24, 2.53 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1330,1331,
&end
#
# 0 AMB 20-2:2648 92 SER HA 4.50 (# 2648:20 Single Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
&end
#
# 126 LEU HB+ 92 SER HB+ 4.50 (# 2650:20 Unique 1.99, 4.31 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1852,1853,
igr2=1330,1331,
&end
#
# 95 TYR HD 92 SER HB+ 5.50 (# 2653:20 Unique 2.37, 5.42 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1384,1393,
igr2=1330,1331,
&end
#
# 92 SER HN 92 SER HB- 3.50 (# 2654:20 Unique 2.07, 3.19 A)
&rst
ixpk= 2654, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 92 SER HN 92 SER HB+ 3.50 (# 2655:20 Unique 2.07, 3.19 A)
&rst
ixpk= 2655, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 93 ARG HG- 93 ARG HB+ 3.00 (# 2656:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1344,1345,
igr2=1341,1342,
&end
#
# 0 AMB 20-2:2657 0 AMB 20-1:2657 7.00 (# 2657:20 Double Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1347,1348,1347,1348,
igr2=1341,1342,1341,1342,
&end
#
# 0 AMB 20-2:2658 93 ARG HB- 5.50 (# 2658:20 Single Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1347,1348,1347,1348,
igr2=1341,1342,
&end
#
# 124 ASN HD2+ 93 ARG HB- 5.30 (# 2659:20 Unique 1.98, 4.86 A)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1824,1825,
igr2=1341,1342,
&end
#
# 124 ASN HD2+ 93 ARG HB+ 5.30 (# 2660:20 Unique 1.98, 4.86 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1824,1825,
igr2=1341,1342,
&end
#
# 93 ARG HN 93 ARG HB+ 3.50 (# 2661:20 Unique 2.35, 3.12 A)
&rst
ixpk= 2661, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1341,1342,
&end
#
# 93 ARG HN 93 ARG HB- 3.50 (# 2662:20 Unique 2.35, 3.12 A)
&rst
ixpk= 2662, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1341,1342,
&end
#
# 93 ARG HA 93 ARG HB+ 2.80 (# 2663:20 Unique 2.35, 2.54 A)
&rst
ixpk= 2663, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1341,1342,
&end
#
# 122 LYS HG+ 93 ARG HB- 5.50 (# 2664:20 Unique 4.23, 6.00 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782,
igr2=1341,1342,
&end
#
# 93 ARG HG+ 93 ARG HB- 3.00 (# 2665:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1344,1345,
igr2=1341,1342,
&end
#
# 0 AMB 20-2:2667 0 AMB 20-1:2667 5.50 (# 2667:20 Double Ambig)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1800,1341,1342,
igr2=1310,1311,1344,1345,
&end
#
# 93 ARG HB- 93 ARG HG+ 3.00 (# 2668:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1341,1342,
igr2=1344,1345,
&end
#
# 93 ARG HB+ 93 ARG HG+ 3.00 (# 2669:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1341,1342,
igr2=1344,1345,
&end
#
# 0 AMB 20-2:2670 93 ARG HG- 5.50 (# 2670:20 Single Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1347,1348,1347,1348,
igr2=1344,1345,
&end
#
# 94 GLU HG- 94 GLU HA 3.20 (# 2671:20 Unique 2.03, 2.83 A)
&rst
ixpk= 2671, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1368,1369,
&end
#
# 0 AMB 20-2:2672 94 GLU HA 4.50 (# 2672:20 Single Ambig)
&rst
ixpk= 2672, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
&end
#
# 95 TYR HN 94 GLU HA 3.80 (# 2673:20 Unique 3.27, 3.46 A)
&rst
ixpk= 2673, nxpk= 20, iat=1376,1363, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:2674 0 AMB 20-1:2674 4.50 (# 2674:20 Double Ambig)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1515,1516,1515,1516,
igr2=1512,1513,1512,1513,
&end
#
# 0 AMB 20-2:2675 0 AMB 20-1:2675 5.50 (# 2675:20 Double Ambig)
&rst
ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1365,1366,1365,1366,
&end
#
# 0 AMB 20-2:2676 94 GLU HB- 4.50 (# 2676:20 Single Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1365,1366,
&end
#
# 94 GLU HN 94 GLU HB- 3.20 (# 2677:20 Unique 2.06, 2.76 A)
&rst
ixpk= 2677, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1365,1366,
&end
#
# 0 AMB 20-2:2678 0 AMB 20-1:2678 5.50 (# 2678:20 Double Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1368,1369,1368,1369,
&end
#
# 94 GLU HA 94 GLU HG+ 3.20 (# 2679:20 Unique 2.03, 2.83 A)
&rst
ixpk= 2679, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1368,1369,
&end
#
# 94 GLU HA 94 GLU HG- 3.20 (# 2680:20 Unique 2.03, 2.83 A)
&rst
ixpk= 2680, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1368,1369,
&end
#
# 94 GLU HN 94 GLU HG- 4.80 (# 2681:20 Unique 3.08, 4.34 A)
&rst
ixpk= 2681, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1368,1369,
&end
#
# 94 GLU HN 94 GLU HG+ 4.80 (# 2682:20 Unique 3.08, 4.34 A)
&rst
ixpk= 2682, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1368,1369,
&end
#
# 95 TYR HB+ 95 TYR HA 3.20 (# 2683:20 Unique 2.33, 2.81 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1380,1381,
&end
#
# 95 TYR HD 95 TYR HA 3.80 (# 2685:20 Unique 2.20, 3.38 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1384,1393,
&end
#
# 95 TYR HN 95 TYR HA 3.20 (# 2686:20 Unique 2.76, 2.85 A)
&rst
ixpk= 2686, nxpk= 20, iat=1376,1378, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 95 TYR HN 95 TYR HB- 3.00 (# 2687:20 Unique 2.07, 2.69 A)
&rst
ixpk= 2687, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1380,1381,
&end
#
# 95 TYR HN 95 TYR HB+ 3.00 (# 2688:20 Unique 2.07, 2.69 A)
&rst
ixpk= 2688, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1380,1381,
&end
#
# 96 ASP HA 0 AMB 20-1:2690 3.50 (# 2690:20 Single Ambig)
&rst
ixpk= 2690, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1401,1402,1401,1402,
&end
#
# 97 THR HN 0 AMB 20-1:2691 4.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1401,1402,1401,1402,
&end
#
# 96 ASP HN 0 AMB 20-1:2692 5.50 (# 2692:20 Single Ambig)
&rst
ixpk= 2692, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1401,1402,1401,1402,
&end
#
# 97 THR HB 97 THR HA 3.00 (# 2693:20 Unique 2.38, 2.61 A)
&rst
ixpk= 2693, nxpk= 20, iat=1413,1411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 THR HN 97 THR HA 3.20 (# 2695:20 Unique 2.74, 2.79 A)
&rst
ixpk= 2695, nxpk= 20, iat=1409,1411, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 60 GLY HA- 97 THR HB 4.40 (# 2696:20 Unique 2.06, 3.90 A)
&rst
ixpk= 2696, nxpk= 20, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 855, 856,
&end
#
# 0 AMB 20-2:2697 97 THR HB 3.50 (# 2697:20 Single Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 855, 856, 838, 839,
&end
#
# 0 AMB 20-2:2698 97 THR HB 3.50 (# 2698:20 Single Ambig)
&rst
ixpk= 2698, nxpk= 20, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1411,1321,1322,
&end
#
# 0 AMB 20-2:2700 97 THR MG2 5.50 (# 2700:20 Single Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 821,1456,1457,
igr2=1415,1416,1417,
&end
#
# 60 GLY HA- 97 THR MG2 4.00 (# 2701:20 Unique 1.95, 3.64 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 855, 856,
igr2=1415,1416,1417,
&end
#
# 0 AMB 20-2:2702 97 THR MG2 5.50 (# 2702:20 Single Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1401,1402,1401,1402,
igr2=1415,1416,1417,
&end
#
# 59 ALA MB 97 THR MG2 4.50 (# 2703:20 Unique 4.87, 6.31 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 847, 848, 849,
igr2=1415,1416,1417,
&end
#
# 0 AMB 20-2:2704 97 THR MG2 3.50 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1465,1466,1467,1341,1342,
igr2=1415,1416,1417,
&end
#
# 98 PHE HB- 98 PHE HA 3.20 (# 2705:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2705, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1427,1428,
&end
#
# 98 PHE HB+ 98 PHE HA 3.20 (# 2706:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1427,1428,
&end
#
# 98 PHE HA 98 PHE HB+ 3.20 (# 2707:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2707, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1427,1428,
&end
#
# 98 PHE HA 98 PHE HB- 3.20 (# 2708:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2708, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1427,1428,
&end
#
# 98 PHE HD 98 PHE HB+ 3.50 (# 2710:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1439,
igr2=1427,1428,
&end
#
# 98 PHE HN 98 PHE HB- 3.50 (# 2711:20 Unique 2.24, 3.24 A)
&rst
ixpk= 2711, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1427,1428,
&end
#
# 98 PHE HN 98 PHE HB+ 3.50 (# 2712:20 Unique 2.24, 3.24 A)
&rst
ixpk= 2712, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1427,1428,
&end
#
# 62 ILE MD1 101 ALA HA 5.20 (# 2713:20 Unique 2.62, 4.77 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 885, 886, 887,
&end
#
# 0 AMB 20-2:2714 101 ALA HA 4.50 (# 2714:20 Single Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1506,1507,1506,1507,
&end
#
# 101 ALA HN 101 ALA HA 3.20 (# 2715:20 Unique 2.74, 2.84 A)
&rst
ixpk= 2715, nxpk= 20, iat=1461,1463, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:2716 0 AMB 20-1:2716 5.50 (# 2716:20 Double Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 215,1502,
igr2= 192,1463,
&end
#
# 0 AMB 20-2:2717 101 ALA MB 5.50 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 787, 788, 892, 893,
igr2=1465,1466,1467,
&end
#
# 0 AMB 20-2:2718 101 ALA MB 5.50 (# 2718:20 Single Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1531,1447,1448, 935, 936,
igr2=1465,1466,1467,
&end
#
# 62 ILE MD1 101 ALA MB 6.00 (# 2719:20 Unique 3.09, 5.76 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 885, 886, 887,
igr2=1465,1466,1467,
&end
#
# 0 AMB 20-2:2720 101 ALA MB 4.80 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1445, 954, 955,
igr2=1465,1466,1467,
&end
#
# 105 LEU HB+ 102 ILE HA 4.20 (# 2721:20 Unique 2.63, 3.86 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1528,1529,
&end
#
# 102 ILE HG1+ 102 ILE HA 3.50 (# 2722:20 Unique 2.24, 3.24 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1481,1482,
&end
#
# 102 ILE HB 102 ILE HA 2.80 (# 2723:20 Unique 2.36, 2.44 A)
&rst
ixpk= 2723, nxpk= 20, iat=1475,1473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 ILE HN 102 ILE HA 3.20 (# 2724:20 Unique 2.77, 2.89 A)
&rst
ixpk= 2724, nxpk= 20, iat=1471,1473, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:2725 102 ILE MD1 2.80 (# 2725:20 Single Ambig)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1477,1478,1479,1481,1482,
igr2=1484,1485,1486,
&end
#
# 102 ILE HB 102 ILE MD1 3.50 (# 2726:20 Unique 2.07, 3.32 A)
&rst
ixpk= 2726, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1484,1485,1486,
&end
#
# 105 LEU HB- 102 ILE MD1 4.50 (# 2727:20 Unique 1.98, 4.11 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1528,1529,
igr2=1484,1485,1486,
&end
#
# 54 SER HB+ 102 ILE MD1 5.00 (# 2728:20 Unique 2.00, 4.38 A)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 787, 788,
igr2=1484,1485,1486,
&end
#
# 54 SER HB- 102 ILE MD1 5.00 (# 2729:20 Unique 2.00, 4.38 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 787, 788,
igr2=1484,1485,1486,
&end
#
# 0 AMB 20-2:2730 102 ILE MD1 5.50 (# 2730:20 Single Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 766,1295,1296,
igr2=1484,1485,1486,
&end
#
# 87 ALA HA 102 ILE MD1 4.20 (# 2731:20 Unique 2.01, 3.79 A)
&rst
ixpk= 2731, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1484,1485,1486,
&end
#
# 0 AMB 20-2:2732 102 ILE MD1 5.50 (# 2732:20 Single Ambig)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1274,1543,
igr2=1484,1485,1486,
&end
#
# 0 AMB 20-2:2733 0 AMB 20-1:2733 4.50 (# 2733:20 Double Ambig)
&rst
ixpk= 2733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1217,1218,1447,1448,
igr2= 692, 693, 694,1477,1478,1479,
&end
#
# 0 AMB 20-2:2734 102 ILE MG2 5.50 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1473, 855, 856,
igr2=1477,1478,1479,
&end
#
# 103 ASP HB- 103 ASP HA 3.20 (# 2735:20 Unique 2.37, 2.80 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1494,1495,
&end
#
# 104 LYS HN 103 ASP HB- 3.50 (# 2736:20 Unique 2.12, 3.21 A)
&rst
ixpk= 2736, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1494,1495,
&end
#
# 104 LYS HN 103 ASP HB+ 3.50 (# 2737:20 Unique 2.12, 3.21 A)
&rst
ixpk= 2737, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1494,1495,
&end
#
# 0 AMB 20-2:2738 104 LYS HA 3.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,1506,1507,
&end
#
# 108 GLU HN 104 LYS HA 4.20 (# 2739:20 Unique 3.53, 3.85 A)
&rst
ixpk= 2739, nxpk= 20, iat=1568,1504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 104 LYS HA 0 AMB 20-1:2740 5.50 (# 2740:20 Single Ambig)
&rst
ixpk= 2740, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:2741 0 AMB 20-1:2741 4.50 (# 2741:20 Double Ambig)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1533,1534,1535,1537,1538,1539, 882, 883,
igr2=1526, 874,
&end
#
# 0 AMB 20-2:2742 105 LEU HA 4.50 (# 2742:20 Single Ambig)
&rst
ixpk= 2742, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1528,1529,1572,1573,
&end
#
# 0 AMB 20-2:2743 0 AMB 20-1:2743 7.00 (# 2743:20 Double Ambig)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 805,1072,1073,1490,
igr2= 874,1526,
&end
#
# 70 TYR HD 105 LEU HA 4.30 (# 2744:20 Unique 1.93, 3.90 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1003,1012,
&end
#
# 0 AMB 20-2:2745 0 AMB 20-1:2745 2.80 (# 2745:20 Double Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 696, 697,1484,1485,1486,1533,1534,1535,1537,1538,
1539,1711,1712,1713,
igr2=2160,2161,1528,1529,1528,1529,2160,2161,
&end
#
# 146 LEU MDX 146 LEU HB+ 3.50 (# 2746:20 Unique 1.97, 3.21 A)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU MDY 146 LEU HB+ 3.50 (# 2747:20 Unique 1.97, 3.21 A)
&rst
ixpk= 2747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 105 LEU HA 105 LEU HB- 3.00 (# 2748:20 Unique 2.32, 2.69 A)
&rst
ixpk= 2748, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1528,1529,
&end
#
# 102 ILE HA 105 LEU HB- 4.20 (# 2749:20 Unique 2.63, 3.86 A)
&rst
ixpk= 2749, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1528,1529,
&end
#
# 0 AMB 20-2:2750 0 AMB 20-1:2750 5.50 (# 2750:20 Double Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1524, 995,
igr2=1528,1529,1528,1529,
&end
#
# 105 LEU HN 105 LEU HB- 3.50 (# 2751:20 Unique 2.41, 3.07 A)
&rst
ixpk= 2751, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1528,1529,
&end
#
# 0 AMB 20-2:2752 105 LEU HG 3.50 (# 2752:20 Single Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1484,1485,1486,1533,1534,1535,1537,1538,1539,
&end
#
# 62 ILE MD1 105 LEU HG 4.00 (# 2753:20 Unique 2.00, 3.44 A)
&rst
ixpk= 2753, nxpk= 20, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 885, 886, 887,
&end
#
# 105 LEU HN 105 LEU HG 2.50 (# 2754:20 Unique 1.87, 2.19 A)
&rst
ixpk= 2754, nxpk= 20, iat=1524,1531, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 62 ILE MD1 105 LEU MDX 4.80 (# 2755:20 Unique 2.00, 4.24 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 885, 886, 887,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HB+ 105 LEU MDX 3.50 (# 2757:20 Unique 1.98, 3.25 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 66 LEU HB+ 105 LEU MDX 4.00 (# 2758:20 Unique 1.94, 3.54 A)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 935, 936,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2759 105 LEU MDX 3.50 (# 2759:20 Single Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 876,1475, 895, 896,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 54 SER HB+ 105 LEU MDX 4.50 (# 2760:20 Unique 1.97, 4.07 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 787, 788,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2761 105 LEU MDX 5.50 (# 2761:20 Single Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 787, 788, 979, 980,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 69 PHE HD 105 LEU MDX 4.50 (# 2762:20 Unique 2.46, 6.61 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 983, 991,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 104 LYS HN 105 LEU MDX 5.50 (# 2763:20 Unique 3.40, 6.36 A)
&rst
ixpk= 2763, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2764 105 LEU MDX 5.50 (# 2764:20 Single Ambig)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1524, 995,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 67 SER HA 105 LEU MDY 4.50 (# 2765:20 Unique 2.20, 4.11 A)
&rst
ixpk= 2765, nxpk= 20, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 103 ASP HN 105 LEU MDY 7.00 (# 2766:20 Unique 4.56, 7.26 A)
&rst
ixpk= 2766, nxpk= 20, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 139 LEU MDY 136 GLU HA 5.50 (# 2767:20 Unique 3.07, 5.23 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 109 LEU HB+ 106 GLU HA 3.30 (# 2768:20 Unique 2.07, 2.93 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1587,1588,
&end
#
# 135 ALA MB 136 GLU HA 5.50 (# 2769:20 Unique 3.95, 4.97 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1986,1987,1988,
&end
#
# 107 ALA HN 106 GLU HA 4.00 (# 2771:20 Unique 3.51, 3.54 A)
&rst
ixpk= 2771, nxpk= 20, iat=1558,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 ALA HN 106 GLU HB- 4.00 (# 2772:20 Unique 2.34, 3.50 A)
&rst
ixpk= 2772, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 107 ALA HN 106 GLU HB+ 4.00 (# 2773:20 Unique 2.34, 3.50 A)
&rst
ixpk= 2773, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 106 GLU HA 106 GLU HB- 2.90 (# 2774:20 Unique 2.23, 2.58 A)
&rst
ixpk= 2774, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1547,1548,
&end
#
# 103 ASP HA 106 GLU HB- 4.20 (# 2775:20 Unique 2.38, 3.81 A)
&rst
ixpk= 2775, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1547,1548,
&end
#
# 103 ASP HA 106 GLU HB+ 4.20 (# 2776:20 Unique 2.38, 3.81 A)
&rst
ixpk= 2776, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:2777 107 ALA HA 4.50 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1612,1613,1612,1613,
&end
#
# 0 AMB 20-2:2778 107 ALA HA 5.50 (# 2778:20 Single Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1609,1610,1609,1610,
&end
#
# 0 AMB 20-2:2779 107 ALA HA 7.00 (# 2779:20 Single Ambig)
&rst
ixpk= 2779, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1547,1548,1547,1548,
&end
#
# 102 ILE MD1 107 ALA HA 7.00 (# 2780:20 Unique 7.37, 8.91 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1484,1485,1486,
&end
#
# 0 AMB 20-2:2782 107 ALA HA 5.50 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1583,1624,
&end
#
# 108 GLU HA 107 ALA MB 5.20 (# 2783:20 Unique 3.83, 4.74 A)
&rst
ixpk= 2783, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:2784 107 ALA MB 5.50 (# 2784:20 Single Ambig)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1606,1607,1606,1607,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:2785 107 ALA MB 4.50 (# 2785:20 Single Ambig)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1547,1548,1547,1548,
igr2=1562,1563,1564,
&end
#
# 111 ASN HD2+ 108 GLU HA 4.20 (# 2786:20 Unique 2.84, 3.71 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1633,1634,
&end
#
# 109 LEU HB- 109 LEU HA 3.20 (# 2787:20 Unique 2.66, 2.83 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1587,1588,
&end
#
# 0 AMB 20-2:2788 109 LEU HA 7.00 (# 2788:20 Single Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1660,1661,1662, 588, 589, 590, 592, 593, 594,
&end
#
# 109 LEU MDY 109 LEU HB+ 3.80 (# 2789:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 109 LEU MDY 109 LEU HB- 3.80 (# 2790:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 109 LEU HG 109 LEU HB- 3.20 (# 2791:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2791, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1587,1588,
&end
#
# 109 LEU HG 109 LEU HB+ 3.20 (# 2792:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2792, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:2793 109 LEU HB- 4.50 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1585,
igr2=1587,1588,
&end
#
# 109 LEU HN 109 LEU HB+ 3.20 (# 2794:20 Unique 2.05, 2.78 A)
&rst
ixpk= 2794, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1587,1588,
&end
#
# 109 LEU HN 109 LEU HG 3.50 (# 2795:20 Unique 2.83, 3.12 A)
&rst
ixpk= 2795, nxpk= 20, iat=1583,1590, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HB+ 109 LEU MDX 3.80 (# 2796:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:2797 109 LEU MDX 5.50 (# 2797:20 Single Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1528,1529,1161,1162,1045,1046,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB+ 109 LEU MDY 3.80 (# 2799:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:2800 109 LEU MDY 5.50 (# 2800:20 Single Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 634, 635, 636, 638, 639, 640,1203,1204,1205,1207,
1208,1209, 108, 109, 110,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 73 LEU MDY 109 LEU MDY 3.50 (# 2801:20 Unique 1.98, 4.68 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 52 VAL MGX 109 LEU MDY 3.50 (# 2802:20 Unique 2.00, 5.12 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 754, 755, 756, 758, 759, 760,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:2803 109 LEU MDY 5.50 (# 2803:20 Single Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1642,1643,1132,1133,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:2804 110 LYS HA 5.50 (# 2804:20 Single Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1612,1613,1612,1613,
&end
#
# 107 ALA HA 0 AMB 20-1:2805 5.50 (# 2805:20 Single Ambig)
&rst
ixpk= 2805, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1606,1607,1606,1607,
&end
#
# 111 ASN HN 0 AMB 20-1:2806 5.50 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1606,1607,1606,1607,
&end
#
# 79 ASP HN 78 PRO HB- 3.80 (# 2807:20 Unique 1.89, 3.25 A)
&rst
ixpk= 2807, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1138,1139,
&end
#
# 116 GLN HB+ 110 LYS HE- 6.00 (# 2808:20 Unique 2.63, 5.19 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1692,1693,
igr2=1615,1616,
&end
#
# 116 GLN HB+ 110 LYS HE+ 5.50 (# 2809:20 Unique 2.63, 5.19 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:2810 0 AMB 20-1:2810 4.50 (# 2810:20 Double Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1547,1548,1547,1548,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:2811 110 LYS HE- 5.50 (# 2811:20 Single Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1547,1548,1547,1548,
igr2=1615,1616,
&end
#
# 125 ILE HA 129 ASP HA 5.00 (# 2812:20 Unique 2.00, 2.99 A)
&rst
ixpk= 2812, nxpk= 20, iat=1831,1898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2813 111 ASN HA 5.50 (# 2813:20 Single Ambig)
&rst
ixpk= 2813, nxpk= 20, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1606,1607,1606,1607,
&end
#
# 111 ASN HD2+ 111 ASN HB+ 3.50 (# 2814:20 Unique 2.40, 3.08 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 111 ASN HD2+ 111 ASN HB- 3.50 (# 2815:20 Unique 2.40, 3.08 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 112 SER HN 111 ASN HB- 3.50 (# 2816:20 Unique 2.52, 3.26 A)
&rst
ixpk= 2816, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1628,1629,
&end
#
# 112 SER HN 111 ASN HB+ 3.50 (# 2817:20 Unique 2.52, 3.26 A)
&rst
ixpk= 2817, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1628,1629,
&end
#
# 112 SER HA 112 SER HB+ 3.00 (# 2818:20 Unique 2.24, 2.61 A)
&rst
ixpk= 2818, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1642,1643,
&end
#
# 80 LEU HG 112 SER HB+ 3.50 (# 2821:20 Unique 2.00, 3.10 A)
&rst
ixpk= 2821, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 0 AMB 20-2:2822 0 AMB 20-1:2822 5.50 (# 2822:20 Double Ambig)
&rst
ixpk= 2822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1161,1162,1116,1117,
igr2=1642,1643,1642,1643,
&end
#
# 80 LEU HN 112 SER HB- 3.50 (# 2823:20 Unique 1.91, 3.05 A)
&rst
ixpk= 2823, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 80 LEU HN 112 SER HB+ 3.50 (# 2824:20 Unique 1.91, 3.05 A)
&rst
ixpk= 2824, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 114 ALA HN 113 GLY HA+ 3.80 (# 2825:20 Unique 2.79, 3.23 A)
&rst
ixpk= 2825, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1651,1652,
&end
#
# 81 SER HA 114 ALA HA 3.80 (# 2826:20 Unique 2.96, 3.42 A)
&rst
ixpk= 2826, nxpk= 20, iat=1178,1658, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 83 VAL MGY 114 ALA MB 5.50 (# 2827:20 Unique 2.27, 5.01 A)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:2828 114 ALA MB 3.50 (# 2828:20 Single Ambig)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1660,1661,1662,
&end
#
# 80 LEU HB- 114 ALA MB 4.20 (# 2829:20 Unique 1.96, 3.82 A)
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1161,1162,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:2830 114 ALA MB 4.50 (# 2830:20 Single Ambig)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1164,1673,1674,1590,
igr2=1660,1661,1662,
&end
#
# 80 LEU HB+ 114 ALA MB 3.50 (# 2831:20 Unique 1.96, 3.82 A)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1161,1162,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:2832 114 ALA MB 5.50 (# 2832:20 Single Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1585,1545,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:2833 114 ALA MB 4.50 (# 2833:20 Single Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1642,1643,1199,1178,
igr2=1660,1661,1662,
&end
#
# 83 VAL HN 114 ALA MB 4.50 (# 2835:20 Unique 2.01, 3.70 A)
&rst
ixpk= 2835, nxpk= 20, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1660,1661,1662,
&end
#
# 84 ARG HA 84 ARG HB- 3.20 (# 2836:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2836, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1217,1218,
&end
#
# 115 LYS HG- 0 AMB 20-1:2837 3.50 (# 2837:20 Single Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1673,1674,
igr2=1670,1671,1670,1671,
&end
#
# 0 AMB 20-2:2838 115 LYS HG- 3.50 (# 2838:20 Single Ambig)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1670,1671,1670,1671,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:2839 0 AMB 20-1:2839 3.50 (# 2839:20 Double Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1670,1671,1670,1671,
igr2=1673,1674,1673,1674,
&end
#
# 0 AMB 20-2:2840 115 LYS HG- 7.00 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1679,1680,1679,1680,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:2841 0 AMB 20-1:2841 7.00 (# 2841:20 Double Ambig)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1679,1680,1679,1680,
igr2=1673,1674,1673,1674,
&end
#
# 111 ASN HA 115 LYS HG+ 7.00 (# 2842:20 Unique 6.99, 7.73 A)
&rst
ixpk= 2842, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1673,1674,
&end
#
# 115 LYS HA 115 LYS HG+ 3.20 (# 2843:20 Unique 2.07, 2.86 A)
&rst
ixpk= 2843, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1673,1674,
&end
#
# 115 LYS HA 115 LYS HG- 3.20 (# 2844:20 Unique 2.07, 2.86 A)
&rst
ixpk= 2844, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1673,1674,
&end
#
# 144 ASN HA 147 LYS HG- 4.80 (# 2845:20 Unique 2.76, 4.31 A)
&rst
ixpk= 2845, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2182,2183,
&end
#
# 115 LYS HG- 0 AMB 20-1:2846 2.80 (# 2846:20 Single Ambig)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1673,1674,
igr2=1676,1677,1676,1677,
&end
#
# 0 AMB 20-2:2847 0 AMB 20-1:2847 2.80 (# 2847:20 Double Ambig)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1673,1674,1673,1674,
igr2=1676,1677,1676,1677,
&end
#
# 116 GLN HB- 116 GLN HA 3.20 (# 2848:20 Unique 2.35, 2.77 A)
&rst
ixpk= 2848, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1692,1693,
&end
#
# 116 GLN HG- 116 GLN HA 3.50 (# 2849:20 Unique 2.09, 3.08 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1695,1696,
&end
#
# 116 GLN HA 116 GLN HB- 3.20 (# 2851:20 Unique 2.35, 2.77 A)
&rst
ixpk= 2851, nxpk= 20, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1692,1693,
&end
#
# 116 GLN HB+ 116 GLN HG+ 3.00 (# 2852:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 116 GLN HB+ 116 GLN HG- 3.00 (# 2853:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 116 GLN HB- 116 GLN HG+ 3.00 (# 2854:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 116 GLN HB- 116 GLN HG- 3.00 (# 2855:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 0 AMB 20-2:2856 0 AMB 20-1:2856 4.50 (# 2856:20 Double Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1690,1259,1260,
igr2=1695,1696,1695,1696,
&end
#
# 0 AMB 20-2:2857 116 GLN HG- 4.50 (# 2857:20 Single Ambig)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1690,1259,1260,
igr2=1695,1696,
&end
#
# 116 GLN HE2- 116 GLN HG+ 3.50 (# 2858:20 Unique 2.12, 3.11 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1700,1701,
igr2=1695,1696,
&end
#
# 116 GLN HE2- 116 GLN HG- 3.50 (# 2859:20 Unique 2.12, 3.11 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1700,1701,
igr2=1695,1696,
&end
#
# 117 THR HN 116 GLN HG- 4.00 (# 2860:20 Unique 2.30, 3.68 A)
&rst
ixpk= 2860, nxpk= 20, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1695,1696,
&end
#
# 117 THR HN 116 GLN HG+ 4.00 (# 2861:20 Unique 2.30, 3.68 A)
&rst
ixpk= 2861, nxpk= 20, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1695,1696,
&end
#
# 146 LEU MDX 117 THR HB 5.50 (# 2862:20 Unique 3.69, 5.74 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 117 THR HA 117 THR HB 3.30 (# 2863:20 Unique 2.90, 2.95 A)
&rst
ixpk= 2863, nxpk= 20, iat=1707,1709, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 20-2:2864 117 THR HB 5.50 (# 2864:20 Single Ambig)
&rst
ixpk= 2864, nxpk= 20, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1700,1701,2156,1239,
&end
#
# 146 LEU HA 117 THR MG2 3.50 (# 2865:20 Unique 2.28, 3.01 A)
&rst
ixpk= 2865, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1711,1712,1713,
&end
#
# 118 GLY HA- 117 THR MG2 5.50 (# 2866:20 Unique 4.34, 5.53 A)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1721,1722,
igr2=1711,1712,1713,
&end
#
# 145 LEU HB+ 117 THR MG2 3.50 (# 2867:20 Unique 2.68, 3.97 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2141,2142,
igr2=1711,1712,1713,
&end
#
# 84 ARG HB- 117 THR MG2 4.30 (# 2868:20 Unique 1.99, 3.82 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1217,1218,
igr2=1711,1712,1713,
&end
#
# 0 AMB 20-2:2869 117 THR MG2 3.50 (# 2869:20 Single Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1220,1221,1220,1221,2160,2161,1217,1218,
igr2=1711,1712,1713,
&end
#
# 145 LEU HN 117 THR MG2 5.50 (# 2870:20 Unique 4.61, 5.73 A)
&rst
ixpk= 2870, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1711,1712,1713,
&end
#
# 117 THR HN 117 THR MG2 5.00 (# 2871:20 Unique 4.01, 4.51 A)
&rst
ixpk= 2871, nxpk= 20, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1711,1712,1713,
&end
#
# 120 THR HN 119 GLU HA 2.80 (# 2874:20 Unique 2.16, 2.28 A)
&rst
ixpk= 2874, nxpk= 20, iat=1741,1728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 119 GLU HB- 119 GLU HA 3.20 (# 2875:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1730,1731,
&end
#
# 119 GLU HB+ 119 GLU HA 3.20 (# 2876:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1730,1731,
&end
#
# 0 AMB 20-2:2877 119 GLU HA 3.50 (# 2877:20 Single Ambig)
&rst
ixpk= 2877, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1733,1734,1733,1734,
&end
#
# 0 AMB 20-2:2878 0 AMB 20-1:2878 5.50 (# 2878:20 Double Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1721,1722,1018,
igr2=1733,1734,1733,1734,1084,1085,
&end
#
# 0 AMB 20-2:2880 0 AMB 20-1:2880 7.00 (# 2880:20 Double Ambig)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 648, 649,1695,1696, 651, 652,
igr2= 66,1745,
&end
#
# 0 AMB 20-2:2881 120 THR HB 4.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1743,1757,
&end
#
# 0 AMB 20-2:2882 120 THR MG2 5.50 (# 2882:20 Single Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1787,1788,1447,1448,
igr2=1747,1748,1749,
&end
#
# 116 GLN HG+ 120 THR MG2 4.50 (# 2883:20 Unique 3.28, 5.55 A)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1695,1696,
igr2=1747,1748,1749,
&end
#
# 87 ALA MB 120 THR MG2 2.80 (# 2884:20 Unique 1.99, 3.50 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1268,1269,1270,
igr2=1747,1748,1749,
&end
#
# 122 LYS HD- 120 THR MG2 3.50 (# 2885:20 Unique 2.29, 4.64 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1784,1785,
igr2=1747,1748,1749,
&end
#
# 120 THR HN 120 THR MG2 5.50 (# 2886:20 Unique 3.61, 4.33 A)
&rst
ixpk= 2886, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1747,1748,1749,
&end
#
# 121 LEU HN 121 LEU HA 3.30 (# 2887:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2887, nxpk= 20, iat=1755,1757, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 121 LEU HN 121 LEU HB+ 3.40 (# 2888:20 Unique 2.42, 2.86 A)
&rst
ixpk= 2888, nxpk= 20, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1759,1760,
&end
#
# 121 LEU HN 121 LEU HB- 3.30 (# 2889:20 Unique 2.42, 2.86 A)
&rst
ixpk= 2889, nxpk= 20, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1759,1760,
&end
#
# 121 LEU HA 121 LEU HB+ 3.30 (# 2890:20 Unique 2.56, 2.82 A)
&rst
ixpk= 2890, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1759,1760,
&end
#
# 0 AMB 20-2:2891 121 LEU HB- 4.50 (# 2891:20 Single Ambig)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1280,1281,1282,1764,1765,1766,1768,1769,1770,
igr2=1759,1760,
&end
#
# 121 LEU MDY 121 LEU HB+ 3.50 (# 2892:20 Unique 2.11, 3.27 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1759,1760,
&end
#
# 0 AMB 20-2:2893 0 AMB 20-1:2893 3.50 (# 2893:20 Double Ambig)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 564, 565,1852,1853,1368,1369,
igr2= 569, 570, 571, 573, 574, 575,1857,1858,1859,1861,
1862,1863,
&end
#
# 138 TRP HB+ 121 LEU MDX 4.80 (# 2894:20 Unique 2.10, 4.25 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=2026,2027,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 138 TRP HB- 121 LEU MDX 4.80 (# 2895:20 Unique 2.10, 4.25 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=2026,2027,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 121 LEU HB+ 121 LEU MDY 3.80 (# 2897:20 Unique 2.11, 3.27 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1759,1760,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 90 ILE MG2 123 ILE HB 4.00 (# 2900:20 Unique 1.99, 3.69 A)
&rst
ixpk= 2900, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1306,1307,1308,
&end
#
# 123 ILE HG1+ 123 ILE HB 4.00 (# 2901:20 Unique 2.43, 2.64 A)
&rst
ixpk= 2901, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1806,1807,
&end
#
# 123 ILE HN 123 ILE HB 2.80 (# 2902:20 Unique 2.45, 2.58 A)
&rst
ixpk= 2902, nxpk= 20, iat=1796,1800, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2903 0 AMB 20-1:2903 4.50 (# 2903:20 Double Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1802,1803,1804,1310,1311,1921,1922,1923,
igr2=1806,1807,1806,1807,1806,1807,
&end
#
# 0 AMB 20-2:2904 0 AMB 20-1:2904 3.50 (# 2904:20 Double Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1310,1311,1304,
igr2=1809,1810,1811,1313,1314,1315,
&end
#
# 0 AMB 20-2:2905 90 ILE MD1 5.50 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 207, 208, 207, 208,
igr2=1313,1314,1315,
&end
#
# 125 ILE HA 123 ILE MG2 6.00 (# 2906:20 Unique 3.78, 5.00 A)
&rst
ixpk= 2906, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1802,1803,1804,
&end
#
# 90 ILE HA 123 ILE MG2 5.50 (# 2907:20 Unique 3.89, 5.25 A)
&rst
ixpk= 2907, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1802,1803,1804,
&end
#
# 124 ASN HN 123 ILE MG2 4.00 (# 2909:20 Unique 1.96, 3.44 A)
&rst
ixpk= 2909, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1802,1803,1804,
&end
#
# 22 LEU HG 123 ILE MG2 7.00 (# 2910:20 Unique 7.62, 9.79 A)
&rst
ixpk= 2910, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1802,1803,1804,
&end
#
# 90 ILE MG2 123 ILE MG2 3.50 (# 2911:20 Unique 2.65, 5.09 A)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1306,1307,1308,
igr2=1802,1803,1804,
&end
#
# 0 AMB 20-2:2912 123 ILE MG2 2.80 (# 2912:20 Single Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1806,1807,1809,1810,1811,
igr2=1802,1803,1804,
&end
#
# 125 ILE MG2 123 ILE MG2 4.50 (# 2913:20 Unique 2.11, 5.24 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1835,1836,1837,
igr2=1802,1803,1804,
&end
#
# 0 AMB 20-2:2914 123 ILE MG2 5.50 (# 2914:20 Single Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1806,1807,1918,1919,
igr2=1802,1803,1804,
&end
#
# 124 ASN HB- 124 ASN HA 3.00 (# 2915:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1819,1820,
&end
#
# 124 ASN HB+ 124 ASN HA 3.00 (# 2916:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2916, nxpk= 20, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1819,1820,
&end
#
# 124 ASN HN 124 ASN HB+ 3.20 (# 2917:20 Unique 2.09, 2.75 A)
&rst
ixpk= 2917, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1819,1820,
&end
#
# 124 ASN HN 124 ASN HB- 3.20 (# 2918:20 Unique 2.09, 2.75 A)
&rst
ixpk= 2918, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1819,1820,
&end
#
# 124 ASN HD2- 124 ASN HB- 3.80 (# 2919:20 Unique 2.19, 3.47 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1824,1825,
igr2=1819,1820,
&end
#
# 124 ASN HA 124 ASN HB- 3.20 (# 2920:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2920, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1819,1820,
&end
#
# 124 ASN HA 124 ASN HB+ 3.20 (# 2921:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2921, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1819,1820,
&end
#
# 14 GLY HA+ 125 ILE HB 5.50 (# 2922:20 Unique 3.88, 5.30 A)
&rst
ixpk= 2922, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 185, 186,
&end
#
# 125 ILE MG2 125 ILE MD1 3.50 (# 2923:20 Unique 2.00, 3.73 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1835,1836,1837,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:2924 125 ILE MD1 4.50 (# 2924:20 Single Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863, 166, 167, 168, 170, 171, 172,
igr2=1842,1843,1844,
&end
#
# 92 SER HB- 125 ILE MD1 4.50 (# 2925:20 Unique 3.09, 5.95 A)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1330,1331,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:2927 125 ILE MG2 2.80 (# 2927:20 Single Ambig)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1842,1843,1844,1306,1307,1308,
igr2=1835,1836,1837,
&end
#
# 125 ILE HG1+ 125 ILE MG2 3.50 (# 2928:20 Unique 1.99, 3.46 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1839,1840,
igr2=1835,1836,1837,
&end
#
# 124 ASN HD2+ 125 ILE MG2 5.50 (# 2931:20 Unique 3.80, 6.29 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1824,1825,
igr2=1835,1836,1837,
&end
#
# 0 AMB 20-2:2932 0 AMB 20-1:2932 5.50 (# 2932:20 Double Ambig)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1824,1825,1638,
igr2=1850,1111,
&end
#
# 124 ASN HD2+ 126 LEU HB+ 4.00 (# 2933:20 Unique 1.96, 3.52 A)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1824,1825,
igr2=1852,1853,
&end
#
# 124 ASN HD2+ 126 LEU HB- 4.00 (# 2934:20 Unique 1.96, 3.52 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1824,1825,
igr2=1852,1853,
&end
#
# 126 LEU HA 126 LEU HB- 3.20 (# 2935:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2935, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1852,1853,
&end
#
# 127 ASP HN 0 AMB 20-1:2936 4.50 (# 2936:20 Single Ambig)
&rst
ixpk= 2936, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1871,1872,1871,1872,
&end
#
# 128 HIS HA 128 HIS HB- 3.20 (# 2937:20 Unique 2.40, 2.81 A)
&rst
ixpk= 2937, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1883,1884,
&end
#
# 130 ILE HG1- 130 ILE HB 3.20 (# 2938:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1918,1919,
&end
#
# 0 AMB 20-2:2939 130 ILE HB 4.50 (# 2939:20 Single Ambig)
&rst
ixpk= 2939, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1918,1919,1806,1807,
&end
#
# 130 ILE HA 130 ILE HB 2.80 (# 2940:20 Unique 2.39, 2.59 A)
&rst
ixpk= 2940, nxpk= 20, iat=1910,1912, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 ILE HN 130 ILE HB 3.80 (# 2941:20 Unique 2.53, 3.20 A)
&rst
ixpk= 2941, nxpk= 20, iat=1908,1912, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 130 ILE HB 130 ILE HG1- 3.20 (# 2942:20 Unique 2.44, 2.80 A)
&rst
ixpk= 2942, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1918,1919,
&end
#
# 130 ILE HA 130 ILE HG1- 3.80 (# 2943:20 Unique 2.38, 3.25 A)
&rst
ixpk= 2943, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1918,1919,
&end
#
# 130 ILE HA 130 ILE HG1+ 3.80 (# 2944:20 Unique 2.38, 3.25 A)
&rst
ixpk= 2944, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1918,1919,
&end
#
# 130 ILE HN 130 ILE HG1+ 3.80 (# 2945:20 Unique 1.96, 3.34 A)
&rst
ixpk= 2945, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1918,1919,
&end
#
# 130 ILE HN 130 ILE HG1- 3.80 (# 2946:20 Unique 1.96, 3.34 A)
&rst
ixpk= 2946, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1918,1919,
&end
#
# 130 ILE HA 130 ILE MD1 5.30 (# 2947:20 Unique 4.00, 4.74 A)
&rst
ixpk= 2947, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1921,1922,1923,
&end
#
# 130 ILE HG1- 130 ILE MG2 3.50 (# 2948:20 Unique 2.01, 3.37 A)
&rst
ixpk= 2948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1918,1919,
igr2=1914,1915,1916,
&end
#
# 130 ILE HG1+ 130 ILE MG2 3.80 (# 2949:20 Unique 2.01, 3.37 A)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1918,1919,
igr2=1914,1915,1916,
&end
#
# 123 ILE HB 130 ILE MG2 5.50 (# 2950:20 Unique 5.76, 9.39 A)
&rst
ixpk= 2950, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1914,1915,1916,
&end
#
# 130 ILE HN 130 ILE MG2 4.50 (# 2954:20 Unique 1.95, 3.62 A)
&rst
ixpk= 2954, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1914,1915,1916,
&end
#
# 139 LEU HN 136 GLU HA 4.20 (# 2956:20 Unique 3.45, 3.72 A)
&rst
ixpk= 2956, nxpk= 20, iat=2046,1994, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 138 TRP HN 137 GLU HA 4.00 (# 2957:20 Unique 3.54, 3.56 A)
&rst
ixpk= 2957, nxpk= 20, iat=2022,2009, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2958 138 TRP HA 4.50 (# 2958:20 Single Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2076,2077,2048,
&end
#
# 138 TRP HA 138 TRP HB- 3.20 (# 2960:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2960, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2026,2027,
&end
#
# 121 LEU MDY 138 TRP HB+ 4.50 (# 2961:20 Unique 2.10, 4.25 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1764,1765,1766,1768,1769,1770,
igr2=2026,2027,
&end
#
# 121 LEU MDY 138 TRP HB- 4.50 (# 2962:20 Unique 2.10, 4.25 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1764,1765,1766,1768,1769,1770,
igr2=2026,2027,
&end
#
# 141 SER HN 138 TRP HB+ 7.00 (# 2964:20 Unique 5.31, 5.69 A)
&rst
ixpk= 2964, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2026,2027,
&end
#
# 138 TRP HN 138 TRP HB- 3.00 (# 2965:20 Unique 2.07, 2.66 A)
&rst
ixpk= 2965, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2026,2027,
&end
#
# 139 LEU HN 138 TRP HB+ 3.50 (# 2966:20 Unique 2.44, 3.18 A)
&rst
ixpk= 2966, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2026,2027,
&end
#
# 139 LEU MDY 139 LEU HA 4.20 (# 2967:20 Unique 2.05, 3.71 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 142 TRP HB+ 139 LEU HA 3.50 (# 2968:20 Unique 2.62, 3.17 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2087,2088,
&end
#
# 139 LEU HB- 139 LEU HA 3.20 (# 2969:20 Unique 2.48, 2.79 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2050,2051,
&end
#
# 142 TRP HB- 139 LEU HA 3.50 (# 2970:20 Unique 2.62, 3.17 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2087,2088,
&end
#
# 139 LEU HN 139 LEU HA 3.20 (# 2971:20 Unique 2.73, 2.79 A)
&rst
ixpk= 2971, nxpk= 20, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 139 LEU MDY 139 LEU HB+ 3.50 (# 2972:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2055,2056,2057,2059,2060,2061,
igr2=2050,2051,
&end
#
# 0 AMB 20-2:2973 0 AMB 20-1:2973 5.50 (# 2973:20 Double Ambig)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2048,1994,
igr2=2050,2051,2050,2051,
&end
#
# 139 LEU HN 139 LEU HB- 2.80 (# 2974:20 Unique 2.11, 2.53 A)
&rst
ixpk= 2974, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2050,2051,
&end
#
# 139 LEU HN 139 LEU HB+ 2.80 (# 2975:20 Unique 2.11, 2.53 A)
&rst
ixpk= 2975, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2050,2051,
&end
#
# 140 GLY HN 139 LEU HB- 3.20 (# 2976:20 Unique 2.02, 2.77 A)
&rst
ixpk= 2976, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2050,2051,
&end
#
# 51 LEU MDY 139 LEU MDX 4.50 (# 2978:20 Unique 4.42, 8.36 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 738, 739, 740, 742, 743, 744,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:2983 139 LEU MDY 3.50 (# 2983:20 Single Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 303, 304, 305, 307, 308, 309, 369, 370, 371, 373,
374, 375,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 25 LYS HB+ 139 LEU MDY 4.00 (# 2985:20 Unique 1.99, 3.67 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 342, 343,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 139 LEU HB- 139 LEU MDY 3.80 (# 2986:20 Unique 2.13, 3.28 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2050,2051,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 26 LEU HA 139 LEU MDY 5.50 (# 2987:20 Unique 3.25, 5.20 A)
&rst
ixpk= 2987, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 24 GLU HN 139 LEU MDY 5.50 (# 2988:20 Unique 5.48, 6.82 A)
&rst
ixpk= 2988, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 26 LEU HN 139 LEU MDY 5.00 (# 2989:20 Unique 2.64, 4.37 A)
&rst
ixpk= 2989, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 141 SER HN 140 GLY HA- 3.50 (# 2990:20 Unique 2.75, 3.18 A)
&rst
ixpk= 2990, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2067,2068,
&end
#
# 0 AMB 20-2:2991 141 SER HA 4.50 (# 2991:20 Single Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2123,2132,2133,
&end
#
# 0 AMB 20-2:2992 141 SER HA 5.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2137,2132,2133,
&end
#
# 145 LEU MDY 142 TRP HA 4.50 (# 2994:20 Unique 4.48, 5.62 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 142 TRP HB- 142 TRP HA 3.20 (# 2995:20 Unique 2.52, 2.82 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2087,2088,
&end
#
# 142 TRP HN 142 TRP HA 3.20 (# 2996:20 Unique 2.75, 2.80 A)
&rst
ixpk= 2996, nxpk= 20, iat=2083,2085, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 142 TRP HA 142 TRP HB- 3.20 (# 2997:20 Unique 2.52, 2.82 A)
&rst
ixpk= 2997, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2087,2088,
&end
#
# 139 LEU HA 142 TRP HB- 3.50 (# 2998:20 Unique 2.62, 3.17 A)
&rst
ixpk= 2998, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2087,2088,
&end
#
# 139 LEU HA 142 TRP HB+ 3.50 (# 2999:20 Unique 2.62, 3.17 A)
&rst
ixpk= 2999, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2087,2088,
&end
#
# 141 SER HN 142 TRP HB+ 5.50 (# 3000:20 Unique 4.25, 4.92 A)
&rst
ixpk= 3000, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 141 SER HN 142 TRP HB- 5.50 (# 3001:20 Unique 4.25, 4.92 A)
&rst
ixpk= 3001, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 143 VAL HN 142 TRP HB- 3.30 (# 3002:20 Unique 2.26, 2.94 A)
&rst
ixpk= 3002, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2087,2088,
&end
#
# 142 TRP HN 142 TRP HB+ 3.00 (# 3003:20 Unique 2.07, 2.60 A)
&rst
ixpk= 3003, nxpk= 20, iat=2083, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2087,2088,
&end
#
# 0 AMB 20-2:3004 143 VAL HA 4.50 (# 3004:20 Single Ambig)
&rst
ixpk= 3004, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2160,2161,2141,2142,2185,2186,
&end
#
# 146 LEU HN 143 VAL HA 4.00 (# 3005:20 Unique 3.31, 3.64 A)
&rst
ixpk= 3005, nxpk= 20, iat=2156,2109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3006 143 VAL HB 5.50 (# 3006:20 Single Ambig)
&rst
ixpk= 3006, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2132,2133,2123,
&end
#
# 146 LEU MDY 143 VAL HB 5.50 (# 3008:20 Unique 3.93, 5.75 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 140 GLY HA+ 143 VAL MGY 5.00 (# 3009:20 Unique 2.06, 4.57 A)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2067,2068,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:3010 143 VAL MGY 4.50 (# 3010:20 Single Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2132,2133,2123,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 144 ASN HD2- 143 VAL MGY 5.50 (# 3011:20 Unique 1.88, 4.96 A)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2132,2133,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 139 LEU HG 143 VAL MGX 5.00 (# 3012:20 Unique 3.05, 4.62 A)
&rst
ixpk= 3012, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:3013 143 VAL MGX 5.50 (# 3013:20 Single Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2132,2133,2123,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 26 LEU MDY 143 VAL MGX 3.50 (# 3014:20 Unique 1.99, 5.52 A)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 369, 370, 371, 373, 374, 375,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 146 LEU MDY 143 VAL MGX 5.50 (# 3015:20 Unique 2.31, 6.44 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 26 LEU MDY 143 VAL MGY 3.50 (# 3016:20 Unique 1.99, 5.52 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 369, 370, 371, 373, 374, 375,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 146 LEU MDY 144 ASN HA 7.00 (# 3017:20 Unique 6.25, 7.58 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:3018 144 ASN HA 5.50 (# 3018:20 Single Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 20-2:3019 0 AMB 20-1:3019 5.50 (# 3019:20 Double Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1344,1345,2146,2147,2148,2150,2151,2152,
igr2=1819,1820,2127,2128,
&end
#
# 145 LEU MDX 144 ASN HB+ 5.50 (# 3020:20 Unique 2.30, 5.23 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2146,2147,2148,2150,2151,2152,
igr2=2127,2128,
&end
#
# 145 LEU HN 145 LEU HB+ 3.40 (# 3021:20 Unique 2.13, 2.90 A)
&rst
ixpk= 3021, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2141,2142,
&end
#
# 145 LEU HB- 145 LEU HG 2.80 (# 3022:20 Unique 2.24, 2.49 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2141,2142,
&end
#
# 142 TRP HA 145 LEU HG 4.30 (# 3023:20 Unique 3.27, 3.72 A)
&rst
ixpk= 3023, nxpk= 20, iat=2085,2144, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 118 GLY HA+ 145 LEU HG 4.50 (# 3024:20 Unique 1.99, 2.93 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1721,1722,
&end
#
# 145 LEU HN 145 LEU HG 4.00 (# 3026:20 Unique 2.66, 3.53 A)
&rst
ixpk= 3026, nxpk= 20, iat=2137,2144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 GLY HN 145 LEU HG 4.50 (# 3027:20 Unique 3.53, 4.09 A)
&rst
ixpk= 3027, nxpk= 20, iat=1719,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3028 0 AMB 20-1:3028 3.50 (# 3028:20 Double Ambig)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2141,2142, 298, 299,
igr2=2146,2147,2148,2150,2151,2152, 303, 304, 305, 307,
308, 309,
&end
#
# 145 LEU HN 145 LEU MDY 4.50 (# 3029:20 Unique 2.40, 4.29 A)
&rst
ixpk= 3029, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 146 LEU MDY 146 LEU HB- 3.80 (# 3030:20 Unique 1.97, 3.21 A)
&rst
ixpk= 3030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HB- 3.80 (# 3031:20 Unique 1.97, 3.21 A)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU HA 146 LEU HB- 2.80 (# 3032:20 Unique 2.27, 2.45 A)
&rst
ixpk= 3032, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HG 3.00 (# 3033:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 143 VAL HA 146 LEU HG 2.80 (# 3034:20 Unique 1.99, 2.43 A)
&rst
ixpk= 3034, nxpk= 20, iat=2109,2163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3035 146 LEU HG 4.50 (# 3035:20 Single Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2175,2156,
&end
#
# 0 AMB 20-2:3036 146 LEU MDY 4.50 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:3037 146 LEU MDY 3.50 (# 3037:20 Single Ambig)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 696, 697, 699, 700, 701,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:3038 0 AMB 20-1:3038 4.50 (# 3038:20 Double Ambig)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2182,2183,1341,1342,
igr2=2177,1339,
&end
#
# 0 AMB 20-2:3039 147 LYS HA 4.50 (# 3039:20 Single Ambig)
&rst
ixpk= 3039, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2185,2186,2185,2186,
&end
#
# 147 LYS HA 147 LYS HB+ 3.00 (# 3040:20 Unique 2.36, 2.69 A)
&rst
ixpk= 3040, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2179,2180,
&end
#
# 0 AMB 20-2:3041 147 LYS HG- 2.80 (# 3041:20 Single Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2185,2186,2185,2186,
igr2=2182,2183,
&end
#
# 147 LYS HE+ 147 LYS HG+ 3.50 (# 3042:20 Unique 2.02, 3.00 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2188,2189,
igr2=2182,2183,
&end
#
# 147 LYS HA 147 LYS HG+ 3.80 (# 3043:20 Unique 2.33, 3.34 A)
&rst
ixpk= 3043, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2182,2183,
&end
#
# 147 LYS HN 147 LYS HG+ 3.80 (# 3044:20 Unique 2.60, 3.40 A)
&rst
ixpk= 3044, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2182,2183,
&end
#
# 147 LYS HN 147 LYS HG- 3.80 (# 3045:20 Unique 2.60, 3.40 A)
&rst
ixpk= 3045, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2182,2183,
&end
#
# 0 AMB 20-2:3046 0 AMB 20-1:3046 5.50 (# 3046:20 Double Ambig)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2188,2189,2188,2189,
igr2=2185,2186,2185,2186,
&end
#
# 120 THR HA 121 LEU HN 2.80 (# 0:10 Unique 2.17, 2.30 A)
&rst
ixpk= 0, nxpk= 10, iat=1743,1755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 0 AMB 10-2:1 121 LEU HN 3.50 (# 1:10 Single Ambig)
&rst
ixpk= 1, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1747,1748,1749,1759,1760,
&end
#
# 121 LEU HB+ 121 LEU HN 3.20 (# 2:10 Unique 2.42, 2.86 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1759,1760,
&end
#
# 87 ALA MB 121 LEU HN 4.50 (# 3:10 Unique 2.58, 4.19 A)
&rst
ixpk= 3, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1268,1269,1270,
&end
#
# 0 AMB 10-2:4 121 LEU HN 7.00 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1764,1765,1766,1768,1769,1770,1280,1281,1282,
&end
#
# 56 THR HA 57 HIS HN 2.80 (# 5:10 Unique 2.14, 2.18 A)
&rst
ixpk= 5, nxpk= 10, iat= 807, 819, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 HIS HA 57 HIS HN 3.20 (# 6:10 Unique 2.75, 2.84 A)
&rst
ixpk= 6, nxpk= 10, iat= 821, 819, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:7 57 HIS HN 5.50 (# 7:10 Single Ambig)
&rst
ixpk= 7, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 809, 892, 893,
&end
#
# 0 AMB 10-2:8 57 HIS HN 4.50 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 864, 865, 864, 865, 823, 824,
&end
#
# 57 HIS HB+ 57 HIS HN 3.00 (# 9:10 Unique 2.32, 2.60 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 823, 824,
&end
#
# 0 AMB 10-2:10 57 HIS HN 4.50 (# 10:10 Single Ambig)
&rst
ixpk= 10, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 811, 812, 813,1465,1466,1467,
&end
#
# 6 LEU HA 6 LEU HN 3.20 (# 11:10 Unique 2.86, 2.88 A)
&rst
ixpk= 11, nxpk= 10, iat= 78, 76, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 5 THR HA 6 LEU HN 2.50 (# 12:10 Unique 2.14, 2.15 A)
&rst
ixpk= 12, nxpk= 10, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 35 THR HA 6 LEU HN 3.80 (# 13:10 Unique 3.25, 3.38 A)
&rst
ixpk= 13, nxpk= 10, iat= 491, 76, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 6 LEU HB+ 6 LEU HN 3.10 (# 14:10 Unique 2.07, 2.72 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 80, 81,
&end
#
# 6 LEU HB- 6 LEU HN 3.10 (# 15:10 Unique 2.07, 2.72 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:16 6 LEU HN 3.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 0 AMB 10-2:17 6 LEU HN 7.00 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 512, 513, 514, 516, 517, 518, 495, 496, 497,
&end
#
# 85 PHE HA 50 TRP HN 3.00 (# 18:10 Unique 2.40, 2.61 A)
&rst
ixpk= 18, nxpk= 10, iat=1239, 705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:19 6 LEU HN 4.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,
&end
#
# 50 TRP HA 50 TRP HN 3.30 (# 20:10 Unique 2.94, 2.94 A)
&rst
ixpk= 20, nxpk= 10, iat= 707, 705, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 ILE HA 50 TRP HN 2.50 (# 21:10 Unique 2.14, 2.14 A)
&rst
ixpk= 21, nxpk= 10, iat= 688, 705, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 49 ILE MG2 50 TRP HN 3.20 (# 22:10 Unique 2.53, 3.78 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 692, 693, 694,
&end
#
# 50 TRP HB- 50 TRP HN 3.80 (# 23:10 Unique 2.79, 3.42 A)
&rst
ixpk= 23, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 709, 710,
&end
#
# 83 VAL MGX 50 TRP HN 5.50 (# 24:10 Unique 3.52, 5.87 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 34 GLU HN 6 LEU HN 2.50 (# 25:10 Unique 2.01, 2.13 A)
&rst
ixpk= 25, nxpk= 10, iat= 474, 76, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 6 LEU HG 6 LEU HN 4.50 (# 26:10 Unique 2.03, 4.14 A)
&rst
ixpk= 26, nxpk= 10, iat= 83, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HN 36 LEU HN 3.30 (# 27:10 Unique 2.49, 2.90 A)
&rst
ixpk= 27, nxpk= 10, iat= 114, 503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:28 36 LEU HN 2.80 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 491, 97,
&end
#
# 36 LEU HA 36 LEU HN 3.30 (# 29:10 Unique 2.88, 2.94 A)
&rst
ixpk= 29, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 LEU HB- 36 LEU HN 3.50 (# 30:10 Unique 2.25, 3.05 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 507, 508,
&end
#
# 36 LEU HB+ 36 LEU HN 3.50 (# 31:10 Unique 2.25, 3.05 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HN 5.30 (# 32:10 Unique 2.74, 4.87 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 10-2:33 36 LEU HN 3.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513, 514, 516, 517, 518, 495, 496, 497,
&end
#
# 6 LEU HN 36 LEU HN 5.00 (# 34:10 Unique 4.07, 4.55 A)
&rst
ixpk= 34, nxpk= 10, iat= 76, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:35 36 LEU HN 5.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 80, 81, 550, 551, 550, 551, 478, 479,
&end
#
# 0 AMB 10-2:36 36 LEU HN 4.50 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 510, 80, 81,
&end
#
# 12 LEU HN 11 THR HN 2.50 (# 37:10 Unique 1.89, 2.10 A)
&rst
ixpk= 37, nxpk= 10, iat= 157, 143, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 10 SER HA 11 THR HN 2.80 (# 38:10 Unique 2.14, 2.55 A)
&rst
ixpk= 38, nxpk= 10, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 THR HA 11 THR HN 3.30 (# 39:10 Unique 2.79, 2.92 A)
&rst
ixpk= 39, nxpk= 10, iat= 145, 143, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 THR HB 11 THR HN 3.80 (# 40:10 Unique 2.50, 3.31 A)
&rst
ixpk= 40, nxpk= 10, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 SER HN 80 LEU HN 3.30 (# 42:10 Unique 2.43, 2.87 A)
&rst
ixpk= 42, nxpk= 10, iat=1176,1157, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 ASP HA 80 LEU HN 2.80 (# 43:10 Unique 2.14, 2.43 A)
&rst
ixpk= 43, nxpk= 10, iat=1147,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:44 80 LEU HN 4.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1159,1640,
&end
#
# 79 ASP HB+ 80 LEU HN 5.00 (# 45:10 Unique 4.16, 4.46 A)
&rst
ixpk= 45, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1149,1150,
&end
#
# 80 LEU HG 80 LEU HN 2.50 (# 46:10 Unique 1.91, 2.26 A)
&rst
ixpk= 46, nxpk= 10, iat=1164,1157, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 80 LEU MDX 80 LEU HN 4.50 (# 47:10 Unique 2.31, 4.04 A)
&rst
ixpk= 47, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 112 SER HB+ 80 LEU HN 3.50 (# 48:10 Unique 1.91, 3.05 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 112 SER HB- 80 LEU HN 3.50 (# 49:10 Unique 1.91, 3.05 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 80 LEU HB+ 80 LEU HN 3.50 (# 50:10 Unique 2.21, 3.18 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 50 TRP HN 84 ARG HN 4.50 (# 51:10 Unique 3.49, 4.14 A)
&rst
ixpk= 51, nxpk= 10, iat= 705,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:52 84 ARG HN 5.50 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 679,1197,
&end
#
# 84 ARG HA 84 ARG HN 3.30 (# 53:10 Unique 2.87, 2.92 A)
&rst
ixpk= 53, nxpk= 10, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 VAL HA 84 ARG HN 2.50 (# 54:10 Unique 2.15, 2.21 A)
&rst
ixpk= 54, nxpk= 10, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:55 84 ARG HN 3.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1220,1221,1217,1218,
&end
#
# 83 VAL MGX 84 ARG HN 3.50 (# 56:10 Unique 2.00, 4.16 A)
&rst
ixpk= 56, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 49 ILE HA 84 ARG HN 3.30 (# 57:10 Unique 2.41, 2.92 A)
&rst
ixpk= 57, nxpk= 10, iat= 688,1213, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 VAL MGY 84 ARG HN 4.50 (# 58:10 Unique 2.00, 4.16 A)
&rst
ixpk= 58, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 98 PHE HA 98 PHE HN 3.30 (# 59:10 Unique 2.28, 2.86 A)
&rst
ixpk= 59, nxpk= 10, iat=1425,1423, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 97 THR HA 98 PHE HN 2.80 (# 61:10 Unique 2.14, 2.47 A)
&rst
ixpk= 61, nxpk= 10, iat=1411,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:62 98 PHE HN 4.50 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1427,1428, 855, 856,
&end
#
# 98 PHE HB- 98 PHE HN 3.60 (# 63:10 Unique 2.24, 3.24 A)
&rst
ixpk= 63, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1427,1428,
&end
#
# 86 GLY HN 52 VAL HN 2.80 (# 64:10 Unique 2.03, 2.55 A)
&rst
ixpk= 64, nxpk= 10, iat=1257, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 ALA HA 52 VAL HN 4.60 (# 65:10 Unique 4.06, 4.27 A)
&rst
ixpk= 65, nxpk= 10, iat=1266, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 51 LEU HA 52 VAL HN 2.50 (# 66:10 Unique 2.14, 2.18 A)
&rst
ixpk= 66, nxpk= 10, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 52 VAL HA 52 VAL HN 3.30 (# 67:10 Unique 2.88, 2.90 A)
&rst
ixpk= 67, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 VAL HB 52 VAL HN 3.50 (# 68:10 Unique 3.60, 3.63 A)
&rst
ixpk= 68, nxpk= 10, iat= 752, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:69 52 VAL HN 7.00 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 774, 775,1268,1269,1270, 80, 81,
&end
#
# 51 LEU HB+ 52 VAL HN 5.00 (# 70:10 Unique 4.22, 4.43 A)
&rst
ixpk= 70, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 733, 734,
&end
#
# 52 VAL MGX 52 VAL HN 3.50 (# 71:10 Unique 1.92, 3.11 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 51 LEU MDX 52 VAL HN 4.50 (# 72:10 Unique 2.55, 4.91 A)
&rst
ixpk= 72, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 53 ILE HG1- 53 ILE HN 4.20 (# 73:10 Unique 2.97, 3.77 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 774, 775,
&end
#
# 0 AMB 10-2:74 53 ILE HN 5.50 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 117 THR HN 116 GLN HN 5.00 (# 75:10 Unique 4.47, 4.55 A)
&rst
ixpk= 75, nxpk= 10, iat=1705,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 LYS HE- 116 GLN HN 5.20 (# 76:10 Unique 3.73, 4.80 A)
&rst
ixpk= 76, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1615,1616,
&end
#
# 52 VAL MGY 52 VAL HN 3.50 (# 77:10 Unique 1.92, 3.11 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 93 ARG HG+ 93 ARG HN 3.80 (# 78:10 Unique 1.91, 2.93 A)
&rst
ixpk= 78, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1344,1345,
&end
#
# 7 ILE HN 53 ILE HN 5.20 (# 79:10 Unique 4.45, 4.78 A)
&rst
ixpk= 79, nxpk= 10, iat= 95, 764, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 8 SER HA 53 ILE HN 4.20 (# 80:10 Unique 3.62, 3.87 A)
&rst
ixpk= 80, nxpk= 10, iat= 116, 764, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 ILE HA 53 ILE HN 3.30 (# 81:10 Unique 2.93, 2.94 A)
&rst
ixpk= 81, nxpk= 10, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 VAL HA 53 ILE HN 2.50 (# 82:10 Unique 2.15, 2.17 A)
&rst
ixpk= 82, nxpk= 10, iat= 750, 764, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 53 ILE HB 53 ILE HN 3.20 (# 83:10 Unique 2.77, 2.82 A)
&rst
ixpk= 83, nxpk= 10, iat= 768, 764, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 66 LEU MDX 53 ILE HN 3.50 (# 84:10 Unique 2.22, 3.81 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 115 LYS HA 116 GLN HN 2.60 (# 85:10 Unique 2.16, 2.38 A)
&rst
ixpk= 85, nxpk= 10, iat=1668,1688, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 116 GLN HA 116 GLN HN 3.20 (# 86:10 Unique 2.75, 2.84 A)
&rst
ixpk= 86, nxpk= 10, iat=1690,1688, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:87 116 GLN HN 7.00 (# 87:10 Single Ambig)
&rst
ixpk= 87, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1695,1696,1547,1548,
&end
#
# 0 AMB 10-2:88 116 GLN HN 2.80 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1670,1671,1670,1671,1692,1693,
&end
#
# 0 AMB 10-2:89 116 GLN HN 5.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1673,1674,1695,1696,
&end
#
# 116 GLN HB+ 116 GLN HN 2.80 (# 90:10 Unique 2.12, 2.58 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1692,1693,
&end
#
# 92 SER HA 93 ARG HN 2.80 (# 91:10 Unique 2.15, 2.36 A)
&rst
ixpk= 91, nxpk= 10, iat=1328,1337, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLU HN 93 ARG HN 3.10 (# 93:10 Unique 2.47, 2.75 A)
&rst
ixpk= 93, nxpk= 10, iat=1361,1337, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 93 ARG HA 93 ARG HN 3.20 (# 94:10 Unique 2.28, 2.76 A)
&rst
ixpk= 94, nxpk= 10, iat=1339,1337, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 93 ARG HB- 93 ARG HN 3.50 (# 95:10 Unique 2.35, 3.12 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1341,1342,
&end
#
# 93 ARG HB+ 93 ARG HN 3.50 (# 96:10 Unique 2.35, 3.12 A)
&rst
ixpk= 96, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1341,1342,
&end
#
# 143 VAL HN 142 TRP HN 3.20 (# 97:10 Unique 2.62, 2.78 A)
&rst
ixpk= 97, nxpk= 10, iat=2107,2083, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 141 SER HN 142 TRP HN 2.80 (# 98:10 Unique 2.46, 2.58 A)
&rst
ixpk= 98, nxpk= 10, iat=2072,2083, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 142 TRP HA 142 TRP HN 3.10 (# 99:10 Unique 2.75, 2.80 A)
&rst
ixpk= 99, nxpk= 10, iat=2085,2083, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 142 TRP HB- 142 TRP HN 3.00 (# 100:10 Unique 2.07, 2.60 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2087,2088,
&end
#
# 142 TRP HB+ 142 TRP HN 3.00 (# 101:10 Unique 2.07, 2.60 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2087,2088,
&end
#
# 141 SER HA 142 TRP HN 4.00 (# 102:10 Unique 3.47, 3.52 A)
&rst
ixpk= 102, nxpk= 10, iat=2074,2083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:103 142 TRP HN 4.50 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2076,2077,2076,2077,
&end
#
# 119 GLU HN 138 TRP HE1 4.00 (# 104:10 Unique 2.20, 3.67 A)
&rst
ixpk= 104, nxpk= 10, iat=1726,2032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 LEU MDX 138 TRP HE1 5.20 (# 105:10 Unique 2.61, 4.77 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 116 GLN HE2+ 138 TRP HE1 5.50 (# 106:10 Unique 3.03, 5.08 A)
&rst
ixpk= 106, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1700,1701,
&end
#
# 120 THR HA 138 TRP HE1 5.30 (# 107:10 Unique 3.71, 4.74 A)
&rst
ixpk= 107, nxpk= 10, iat=1743,2032, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 121 LEU HB+ 138 TRP HE1 5.30 (# 108:10 Unique 3.01, 4.80 A)
&rst
ixpk= 108, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1759,1760,
&end
#
# 122 LYS HB- 122 LYS HN 3.80 (# 109:10 Unique 2.48, 3.28 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1778,1779,
&end
#
# 122 LYS HG- 122 LYS HN 4.50 (# 110:10 Unique 2.19, 4.06 A)
&rst
ixpk= 110, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 121 LEU HG 122 LYS HN 3.30 (# 111:10 Unique 2.47, 2.96 A)
&rst
ixpk= 111, nxpk= 10, iat=1762,1774, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 121 LEU HA 122 LYS HN 2.50 (# 112:10 Unique 2.14, 2.17 A)
&rst
ixpk= 112, nxpk= 10, iat=1757,1774, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 122 LYS HB+ 122 LYS HN 3.80 (# 113:10 Unique 2.48, 3.28 A)
&rst
ixpk= 113, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1778,1779,
&end
#
# 121 LEU MDX 122 LYS HN 3.50 (# 114:10 Unique 2.82, 4.86 A)
&rst
ixpk= 114, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 10-2:115 122 LYS HN 7.00 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1781,1782,1809,1810,1811,
&end
#
# 117 THR HB 117 THR HN 3.30 (# 116:10 Unique 2.85, 2.99 A)
&rst
ixpk= 116, nxpk= 10, iat=1709,1705, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 GLN HG+ 117 THR HN 4.00 (# 117:10 Unique 2.30, 3.68 A)
&rst
ixpk= 117, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1695,1696,
&end
#
# 117 THR MG2 117 THR HN 5.00 (# 118:10 Unique 4.01, 4.51 A)
&rst
ixpk= 118, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1711,1712,1713,
&end
#
# 117 THR HA 117 THR HN 3.30 (# 119:10 Unique 2.86, 2.91 A)
&rst
ixpk= 119, nxpk= 10, iat=1707,1705, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 122 LYS HA 122 LYS HN 3.30 (# 120:10 Unique 2.93, 2.93 A)
&rst
ixpk= 120, nxpk= 10, iat=1776,1774, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:121 117 THR HN 4.50 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1237,2093,
&end
#
# 116 GLN HA 117 THR HN 2.50 (# 122:10 Unique 2.14, 2.17 A)
&rst
ixpk= 122, nxpk= 10, iat=1690,1705, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 116 GLN HG- 117 THR HN 4.00 (# 123:10 Unique 2.30, 3.68 A)
&rst
ixpk= 123, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1695,1696,
&end
#
# 0 AMB 10-2:124 117 THR HN 5.50 (# 124:10 Single Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,1217,1218,
&end
#
# 116 GLN HB+ 117 THR HN 4.50 (# 125:10 Unique 3.41, 4.11 A)
&rst
ixpk= 125, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1692,1693,
&end
#
# 116 GLN HE2- 142 TRP HE1 4.50 (# 127:10 Unique 2.87, 4.27 A)
&rst
ixpk= 127, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1700,1701,
&end
#
# 86 GLY HA+ 142 TRP HE1 3.10 (# 129:10 Unique 2.10, 2.71 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1259,1260,
&end
#
# 117 THR HB 142 TRP HE1 3.50 (# 130:10 Unique 1.96, 2.54 A)
&rst
ixpk= 130, nxpk= 10, iat=1709,2093, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLY HA- 142 TRP HE1 4.50 (# 131:10 Unique 2.10, 2.71 A)
&rst
ixpk= 131, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 117 THR MG2 142 TRP HE1 4.50 (# 132:10 Unique 3.76, 4.94 A)
&rst
ixpk= 132, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1711,1712,1713,
&end
#
# 0 AMB 10-2:133 142 TRP HE1 5.50 (# 133:10 Single Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1257,1705,
&end
#
# 50 TRP HA 5 THR HN 4.20 (# 135:10 Unique 3.35, 3.80 A)
&rst
ixpk= 135, nxpk= 10, iat= 707, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:136 5 THR HN 3.50 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 45, 64,
&end
#
# 5 THR HB 5 THR HN 2.50 (# 137:10 Unique 2.21, 2.26 A)
&rst
ixpk= 137, nxpk= 10, iat= 66, 62, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 4 ILE MG2 5 THR HN 3.50 (# 138:10 Unique 3.69, 4.64 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 49, 50, 51,
&end
#
# 125 ILE HG1+ 125 ILE HN 4.00 (# 140:10 Unique 1.92, 3.68 A)
&rst
ixpk= 140, nxpk= 10, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1839,1840,
&end
#
# 125 ILE MG2 125 ILE HN 3.50 (# 141:10 Unique 1.94, 3.13 A)
&rst
ixpk= 141, nxpk= 10, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1835,1836,1837,
&end
#
# 0 AMB 10-2:142 125 ILE HN 7.00 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1306,1307,1308,1842,1843,1844,
&end
#
# 92 SER HA 125 ILE HN 3.50 (# 143:10 Unique 1.94, 3.06 A)
&rst
ixpk= 143, nxpk= 10, iat=1328,1829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ASN HA 125 ILE HN 2.50 (# 144:10 Unique 2.14, 2.18 A)
&rst
ixpk= 144, nxpk= 10, iat=1817,1829, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 125 ILE HA 125 ILE HN 3.30 (# 145:10 Unique 2.83, 2.93 A)
&rst
ixpk= 145, nxpk= 10, iat=1831,1829, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 125 ILE HB 125 ILE HN 3.80 (# 146:10 Unique 2.78, 3.29 A)
&rst
ixpk= 146, nxpk= 10, iat=1833,1829, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 122 LYS HA 123 ILE HN 2.50 (# 147:10 Unique 2.14, 2.18 A)
&rst
ixpk= 147, nxpk= 10, iat=1776,1796, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 123 ILE HA 123 ILE HN 3.30 (# 148:10 Unique 2.89, 2.91 A)
&rst
ixpk= 148, nxpk= 10, iat=1798,1796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 123 ILE HB 123 ILE HN 2.80 (# 149:10 Unique 2.45, 2.58 A)
&rst
ixpk= 149, nxpk= 10, iat=1800,1796, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 LYS HB- 123 ILE HN 4.50 (# 150:10 Unique 3.62, 4.18 A)
&rst
ixpk= 150, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1778,1779,
&end
#
# 123 ILE HG1+ 123 ILE HN 3.80 (# 151:10 Unique 2.07, 3.31 A)
&rst
ixpk= 151, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1806,1807,
&end
#
# 0 AMB 10-2:152 123 ILE HN 5.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1306,1307,1308,1762,
&end
#
# 0 AMB 10-2:153 123 ILE HN 4.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1764,1765,1766,1768,1769,1770,1802,1803,1804,
&end
#
# 123 ILE HA 124 ASN HN 2.50 (# 154:10 Unique 2.14, 2.21 A)
&rst
ixpk= 154, nxpk= 10, iat=1798,1815, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 123 ILE MG2 124 ASN HN 3.80 (# 155:10 Unique 1.96, 3.44 A)
&rst
ixpk= 155, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1802,1803,1804,
&end
#
# 0 AMB 10-2:156 123 ILE HN 4.50 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1809,1810,1811,1806,1807,
&end
#
# 5 THR HN 51 LEU HN 6.00 (# 157:10 Unique 5.05, 5.45 A)
&rst
ixpk= 157, nxpk= 10, iat= 62, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ILE HN 51 LEU HN 3.20 (# 158:10 Unique 2.49, 2.81 A)
&rst
ixpk= 158, nxpk= 10, iat= 95, 729, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 TRP HA 51 LEU HN 2.80 (# 160:10 Unique 2.16, 2.43 A)
&rst
ixpk= 160, nxpk= 10, iat= 707, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HA 51 LEU HN 3.00 (# 161:10 Unique 1.87, 2.66 A)
&rst
ixpk= 161, nxpk= 10, iat= 78, 729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 LEU HA 51 LEU HN 3.20 (# 162:10 Unique 2.91, 2.94 A)
&rst
ixpk= 162, nxpk= 10, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 TRP HB+ 51 LEU HN 3.20 (# 163:10 Unique 2.50, 2.89 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 709, 710,
&end
#
# 51 LEU HB- 51 LEU HN 3.20 (# 164:10 Unique 2.39, 2.84 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 733, 734,
&end
#
# 51 LEU HB+ 51 LEU HN 3.20 (# 165:10 Unique 2.39, 2.84 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:166 51 LEU HN 4.50 (# 166:10 Single Ambig)
&rst
ixpk= 166, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 7 ILE MD1 51 LEU HN 5.20 (# 167:10 Unique 2.77, 4.73 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 108, 109, 110,
&end
#
# 50 TRP HB- 51 LEU HN 3.30 (# 168:10 Unique 2.50, 2.89 A)
&rst
ixpk= 168, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 709, 710,
&end
#
# 7 ILE HG1- 51 LEU HN 4.80 (# 169:10 Unique 2.87, 4.27 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 105, 106,
&end
#
# 5 THR HB 51 LEU HN 5.50 (# 170:10 Unique 5.12, 5.41 A)
&rst
ixpk= 170, nxpk= 10, iat= 66, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 SER HN 46 ALA HN 3.00 (# 171:10 Unique 2.21, 2.69 A)
&rst
ixpk= 171, nxpk= 10, iat= 668, 658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 PRO HA 46 ALA HN 2.80 (# 172:10 Unique 2.65, 2.70 A)
&rst
ixpk= 172, nxpk= 10, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 ALA HA 46 ALA HN 3.30 (# 173:10 Unique 2.91, 2.94 A)
&rst
ixpk= 173, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 45 PRO HB+ 46 ALA HN 2.80 (# 174:10 Unique 1.89, 2.55 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 651, 652,
&end
#
# 45 PRO HB- 46 ALA HN 2.80 (# 175:10 Unique 1.89, 2.55 A)
&rst
ixpk= 175, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 651, 652,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 176:10 Unique 2.48, 3.23 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 662, 663, 664,
&end
#
# 0 AMB 10-2:177 55 SER HN 7.00 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 134, 127, 128,
&end
#
# 0 AMB 10-2:178 55 SER HN 2.80 (# 178:10 Single Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 785, 796,
&end
#
# 0 AMB 10-2:179 55 SER HN 4.50 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 798, 799, 798, 799,
&end
#
# 63 PRO HG+ 55 SER HN 3.30 (# 180:10 Unique 1.91, 2.95 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 895, 896,
&end
#
# 0 AMB 10-2:181 120 THR HN 7.00 (# 181:10 Single Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1733,1734,1733,1734,
&end
#
# 119 GLU HB+ 120 THR HN 3.80 (# 182:10 Unique 2.62, 3.38 A)
&rst
ixpk= 182, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1730,1731,
&end
#
# 116 GLN HE2+ 120 THR HN 5.00 (# 183:10 Unique 3.33, 4.49 A)
&rst
ixpk= 183, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1700,1701,
&end
#
# 116 GLN HE2- 120 THR HN 5.00 (# 184:10 Unique 3.33, 4.49 A)
&rst
ixpk= 184, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1700,1701,
&end
#
# 119 GLU HA 120 THR HN 2.50 (# 185:10 Unique 2.16, 2.28 A)
&rst
ixpk= 185, nxpk= 10, iat=1728,1741, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 120 THR HA 120 THR HN 3.10 (# 186:10 Unique 2.71, 2.79 A)
&rst
ixpk= 186, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 120 THR HB 120 THR HN 3.50 (# 187:10 Unique 2.92, 3.08 A)
&rst
ixpk= 187, nxpk= 10, iat=1745,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 GLU HB- 120 THR HN 3.50 (# 188:10 Unique 2.62, 3.38 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1730,1731,
&end
#
# 120 THR MG2 120 THR HN 4.50 (# 189:10 Unique 3.61, 4.33 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1747,1748,1749,
&end
#
# 14 GLY HN 15 ALA HN 3.50 (# 190:10 Unique 1.88, 3.04 A)
&rst
ixpk= 190, nxpk= 10, iat= 183, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLU HN 15 ALA HN 2.50 (# 191:10 Unique 2.19, 2.27 A)
&rst
ixpk= 191, nxpk= 10, iat= 200, 190, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:193 15 ALA HN 4.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 185, 186, 192,
&end
#
# 15 ALA MB 15 ALA HN 3.30 (# 194:10 Unique 2.14, 2.98 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 194, 195, 196,
&end
#
# 90 ILE MD1 15 ALA HN 5.00 (# 195:10 Unique 2.09, 4.59 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1313,1314,1315,
&end
#
# 60 GLY HN 59 ALA HN 2.80 (# 196:10 Unique 1.88, 2.57 A)
&rst
ixpk= 196, nxpk= 10, iat= 853, 843, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:197 59 ALA HN 3.50 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 838, 839, 845,
&end
#
# 59 ALA MB 59 ALA HN 3.50 (# 198:10 Unique 2.23, 3.21 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 847, 848, 849,
&end
#
# 0 AMB 10-2:199 59 ALA HN 4.50 (# 199:10 Single Ambig)
&rst
ixpk= 199, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 838, 839, 809,
&end
#
# 0 AMB 10-2:200 15 ALA HN 4.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 185, 186, 798, 799, 798, 799,
&end
#
# 47 SER HN 50 TRP HE1 4.20 (# 201:10 Unique 3.38, 3.74 A)
&rst
ixpk= 201, nxpk= 10, iat= 668, 715, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 45 PRO HG- 50 TRP HE1 4.20 (# 202:10 Unique 2.05, 3.89 A)
&rst
ixpk= 202, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 648, 649,
&end
#
# 0 AMB 10-2:203 50 TRP HE1 7.00 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 83 VAL MGX 50 TRP HE1 3.80 (# 204:10 Unique 1.98, 3.38 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 5 THR HB 50 TRP HE1 7.00 (# 207:10 Unique 5.49, 6.22 A)
&rst
ixpk= 207, nxpk= 10, iat= 66, 715, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 PRO HD- 50 TRP HE1 5.00 (# 208:10 Unique 3.02, 4.48 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 645, 646,
&end
#
# 45 PRO HG+ 50 TRP HE1 4.30 (# 209:10 Unique 2.05, 3.89 A)
&rst
ixpk= 209, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 648, 649,
&end
#
# 0 AMB 10-2:210 50 TRP HE1 7.00 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 629, 630, 105, 106,
&end
#
# 0 AMB 10-2:211 50 TRP HE1 4.50 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1203,1204,1205,1207,1208,1209, 634, 635, 636, 638,
639, 640,
&end
#
# 81 SER HA 82 ALA HN 3.50 (# 212:10 Unique 2.82, 3.12 A)
&rst
ixpk= 212, nxpk= 10, iat=1178,1187, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:213 82 ALA HN 5.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1180,1181,1180,1181,
&end
#
# 83 VAL HB 82 ALA HN 4.40 (# 214:10 Unique 3.50, 3.96 A)
&rst
ixpk= 214, nxpk= 10, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 82 ALA MB 82 ALA HN 2.80 (# 215:10 Unique 2.29, 3.40 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1191,1192,1193,
&end
#
# 83 VAL MGY 82 ALA HN 5.50 (# 216:10 Unique 3.12, 5.21 A)
&rst
ixpk= 216, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 81 SER HN 82 ALA HN 3.30 (# 217:10 Unique 2.71, 2.82 A)
&rst
ixpk= 217, nxpk= 10, iat=1176,1187, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 VAL HN 82 ALA HN 2.50 (# 218:10 Unique 1.76, 2.23 A)
&rst
ixpk= 218, nxpk= 10, iat=1197,1187, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:219 82 ALA HN 3.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1159,
&end
#
# 11 THR HN 12 LEU HN 2.50 (# 220:10 Unique 1.89, 2.10 A)
&rst
ixpk= 220, nxpk= 10, iat= 143, 157, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 13 GLY HN 12 LEU HN 3.00 (# 221:10 Unique 1.90, 2.61 A)
&rst
ixpk= 221, nxpk= 10, iat= 176, 157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 SER HA 12 LEU HN 4.80 (# 223:10 Unique 3.59, 4.44 A)
&rst
ixpk= 223, nxpk= 10, iat= 134, 157, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 LEU HA 12 LEU HN 3.30 (# 224:10 Unique 2.76, 2.89 A)
&rst
ixpk= 224, nxpk= 10, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 THR HA 12 LEU HN 4.00 (# 225:10 Unique 3.47, 3.54 A)
&rst
ixpk= 225, nxpk= 10, iat= 145, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 THR HB 12 LEU HN 3.50 (# 226:10 Unique 2.11, 3.02 A)
&rst
ixpk= 226, nxpk= 10, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LEU HB- 12 LEU HN 3.80 (# 227:10 Unique 2.55, 3.26 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 161, 162,
&end
#
# 12 LEU HG 12 LEU HN 2.80 (# 228:10 Unique 1.92, 2.34 A)
&rst
ixpk= 228, nxpk= 10, iat= 164, 157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 LEU MDY 37 HIS HN 5.50 (# 229:10 Unique 2.87, 5.13 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 12 LEU HB+ 12 LEU HN 3.80 (# 230:10 Unique 2.55, 3.26 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 161, 162,
&end
#
# 0 AMB 10-2:231 12 LEU HN 5.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 149, 150, 151, 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 10-2:232 37 HIS HN 5.50 (# 232:10 Single Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 539, 503,
&end
#
# 36 LEU HA 37 HIS HN 2.50 (# 234:10 Unique 2.18, 2.22 A)
&rst
ixpk= 234, nxpk= 10, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 37 HIS HB- 37 HIS HN 3.30 (# 235:10 Unique 2.12, 2.86 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 526, 527,
&end
#
# 36 LEU HB- 37 HIS HN 4.00 (# 236:10 Unique 2.67, 3.52 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 507, 508,
&end
#
# 36 LEU HB+ 37 HIS HN 4.00 (# 237:10 Unique 2.67, 3.52 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 507, 508,
&end
#
# 36 LEU MDX 37 HIS HN 6.00 (# 238:10 Unique 2.87, 5.13 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 37 HIS HA 37 HIS HN 3.30 (# 240:10 Unique 2.87, 2.89 A)
&rst
ixpk= 240, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 LEU HN 7 ILE HN 3.30 (# 241:10 Unique 2.49, 2.81 A)
&rst
ixpk= 241, nxpk= 10, iat= 729, 95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 6 LEU HA 7 ILE HN 2.50 (# 242:10 Unique 2.15, 2.18 A)
&rst
ixpk= 242, nxpk= 10, iat= 78, 95, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 7 ILE HA 7 ILE HN 3.30 (# 243:10 Unique 2.94, 2.94 A)
&rst
ixpk= 243, nxpk= 10, iat= 97, 95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:244 7 ILE HN 5.50 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 7 ILE MG2 7 ILE HN 5.00 (# 245:10 Unique 4.23, 4.55 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 101, 102, 103,
&end
#
# 7 ILE MD1 7 ILE HN 5.00 (# 246:10 Unique 2.98, 4.76 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 108, 109, 110,
&end
#
# 7 ILE HG1+ 7 ILE HN 4.00 (# 247:10 Unique 2.78, 3.49 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 105, 106,
&end
#
# 53 ILE HN 7 ILE HN 5.20 (# 248:10 Unique 4.45, 4.78 A)
&rst
ixpk= 248, nxpk= 10, iat= 764, 95, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 6 LEU HB+ 7 ILE HN 4.30 (# 249:10 Unique 2.81, 3.89 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:250 7 ILE HN 3.50 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 99, 80, 81,
&end
#
# 7 ILE HG1- 7 ILE HN 4.00 (# 251:10 Unique 2.78, 3.49 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 105, 106,
&end
#
# 0 AMB 10-2:252 7 ILE HN 5.50 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 777, 778, 779, 754, 755, 756, 758, 759, 760,
&end
#
# 35 THR HA 35 THR HN 3.30 (# 253:10 Unique 2.84, 2.88 A)
&rst
ixpk= 253, nxpk= 10, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 GLU HA 35 THR HN 2.50 (# 254:10 Unique 2.14, 2.17 A)
&rst
ixpk= 254, nxpk= 10, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 35 THR HB 35 THR HN 3.50 (# 255:10 Unique 2.68, 3.39 A)
&rst
ixpk= 255, nxpk= 10, iat= 493, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLU HG- 35 THR HN 4.30 (# 256:10 Unique 2.98, 3.81 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 481, 482,
&end
#
# 0 AMB 10-2:257 35 THR HN 5.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 80, 81, 478, 479,
&end
#
# 36 LEU MDY 35 THR HN 7.00 (# 258:10 Unique 4.69, 7.02 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 10-2:259 7 ILE HN 7.00 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 83, 768,
&end
#
# 25 LYS HN 26 LEU HN 3.20 (# 260:10 Unique 2.52, 2.77 A)
&rst
ixpk= 260, nxpk= 10, iat= 338, 360, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 26 LEU HA 26 LEU HN 3.20 (# 261:10 Unique 2.75, 2.77 A)
&rst
ixpk= 261, nxpk= 10, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 23 ALA HA 26 LEU HN 4.00 (# 262:10 Unique 3.15, 3.56 A)
&rst
ixpk= 262, nxpk= 10, iat= 315, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HB- 26 LEU HN 3.50 (# 263:10 Unique 2.40, 3.07 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 364, 365,
&end
#
# 26 LEU HG 26 LEU HN 2.50 (# 264:10 Unique 1.94, 2.16 A)
&rst
ixpk= 264, nxpk= 10, iat= 367, 360, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:265 26 LEU HN 3.50 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 364, 365, 345, 346,
&end
#
# 26 LEU MDX 26 LEU HN 4.50 (# 266:10 Unique 2.61, 4.19 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 34 GLU HB- 35 THR HN 5.00 (# 267:10 Unique 4.26, 4.42 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 478, 479,
&end
#
# 35 THR MG2 35 THR HN 4.50 (# 268:10 Unique 2.41, 3.93 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 495, 496, 497,
&end
#
# 27 GLU HN 26 LEU HN 3.30 (# 269:10 Unique 2.65, 2.81 A)
&rst
ixpk= 269, nxpk= 10, iat= 379, 360, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 139 LEU MDY 26 LEU HN 4.80 (# 270:10 Unique 2.64, 4.37 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 65 ASN HN 64 ASP HN 3.30 (# 271:10 Unique 2.07, 2.84 A)
&rst
ixpk= 271, nxpk= 10, iat= 917, 905, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 ASP HA 64 ASP HN 3.30 (# 272:10 Unique 2.79, 2.87 A)
&rst
ixpk= 272, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 63 PRO HA 64 ASP HN 2.80 (# 273:10 Unique 2.28, 2.40 A)
&rst
ixpk= 273, nxpk= 10, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ASP HB- 64 ASP HN 3.30 (# 274:10 Unique 2.10, 2.97 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 909, 910,
&end
#
# 64 ASP HB+ 64 ASP HN 3.30 (# 275:10 Unique 2.10, 2.97 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 909, 910,
&end
#
# 63 PRO HB- 64 ASP HN 3.50 (# 276:10 Unique 1.79, 3.04 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 898, 899,
&end
#
# 63 PRO HB+ 64 ASP HN 3.50 (# 277:10 Unique 1.79, 3.04 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 898, 899,
&end
#
# 40 LEU HA 41 LEU HN 3.00 (# 278:10 Unique 2.35, 2.60 A)
&rst
ixpk= 278, nxpk= 10, iat= 562, 579, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 PHE HA 41 LEU HN 4.00 (# 279:10 Unique 2.95, 3.48 A)
&rst
ixpk= 279, nxpk= 10, iat= 977, 579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HB- 41 LEU HN 3.30 (# 280:10 Unique 1.90, 2.73 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 564, 565,
&end
#
# 41 LEU HB+ 41 LEU HN 3.00 (# 281:10 Unique 2.04, 2.62 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 583, 584,
&end
#
# 0 AMB 10-2:282 41 LEU HN 4.50 (# 282:10 Single Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 41 LEU MDX 41 LEU HN 5.50 (# 283:10 Unique 4.12, 5.05 A)
&rst
ixpk= 283, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HA 41 LEU HN 3.30 (# 285:10 Unique 2.79, 2.82 A)
&rst
ixpk= 285, nxpk= 10, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 41 LEU HB- 41 LEU HN 3.00 (# 286:10 Unique 2.04, 2.62 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 583, 584,
&end
#
# 41 LEU MDY 41 LEU HN 5.50 (# 287:10 Unique 4.12, 5.05 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 82 ALA HN 83 VAL HN 2.50 (# 288:10 Unique 1.76, 2.23 A)
&rst
ixpk= 288, nxpk= 10, iat=1187,1197, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:289 83 VAL HN 5.50 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1176,1213,
&end
#
# 0 AMB 10-2:290 83 VAL HN 3.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1658,1189,
&end
#
# 0 AMB 10-2:291 83 VAL HN 3.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1199,1178,
&end
#
# 83 VAL HB 83 VAL HN 2.80 (# 292:10 Unique 2.42, 2.61 A)
&rst
ixpk= 292, nxpk= 10, iat=1201,1197, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HB+ 83 VAL HN 4.30 (# 293:10 Unique 3.04, 3.88 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1161,1162,
&end
#
# 114 ALA MB 83 VAL HN 4.30 (# 294:10 Unique 2.01, 3.70 A)
&rst
ixpk= 294, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1660,1661,1662,
&end
#
# 83 VAL MGY 83 VAL HN 3.50 (# 295:10 Unique 2.87, 4.19 A)
&rst
ixpk= 295, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL MGX 83 VAL HN 4.50 (# 296:10 Unique 2.87, 4.19 A)
&rst
ixpk= 296, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 82 ALA MB 83 VAL HN 4.50 (# 297:10 Unique 4.14, 4.40 A)
&rst
ixpk= 297, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1191,1192,1193,
&end
#
# 0 AMB 10-2:298 23 ALA HN 7.00 (# 298:10 Single Ambig)
&rst
ixpk= 298, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 303, 304, 305, 307, 308, 309, 777, 778, 779, 242,
243, 244, 246, 247, 248,
&end
#
# 22 LEU HB+ 23 ALA HN 3.30 (# 299:10 Unique 2.15, 2.84 A)
&rst
ixpk= 299, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 298, 299,
&end
#
# 22 LEU HB- 23 ALA HN 3.30 (# 300:10 Unique 2.15, 2.84 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 298, 299,
&end
#
# 22 LEU HN 23 ALA HN 2.80 (# 302:10 Unique 2.30, 2.45 A)
&rst
ixpk= 302, nxpk= 10, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 GLU HN 23 ALA HN 3.30 (# 303:10 Unique 2.81, 2.86 A)
&rst
ixpk= 303, nxpk= 10, iat= 323, 313, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:304 23 ALA HN 3.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 315, 296,
&end
#
# 23 ALA MB 23 ALA HN 3.30 (# 305:10 Unique 2.07, 2.88 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 317, 318, 319,
&end
#
# 26 LEU MDX 23 ALA HN 4.50 (# 306:10 Unique 3.09, 5.49 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 100 GLY HN 99 CYS HN 4.00 (# 308:10 Unique 1.74, 2.07 A)
&rst
ixpk= 308, nxpk= 10, iat=1454,1443, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:309 99 CYS HN 3.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1425,1321,1322,
&end
#
# 99 CYS HA 99 CYS HN 3.30 (# 310:10 Unique 2.27, 2.71 A)
&rst
ixpk= 310, nxpk= 10, iat=1445,1443, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 56 THR MG2 99 CYS HN 5.50 (# 311:10 Unique 3.19, 5.27 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 0 AMB 10-2:312 23 ALA HN 5.50 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 301, 327, 328,
&end
#
# 68 PRO HA 69 PHE HN 4.00 (# 313:10 Unique 3.34, 3.41 A)
&rst
ixpk= 313, nxpk= 10, iat= 971, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 TYR HN 69 PHE HN 2.80 (# 314:10 Unique 2.26, 2.38 A)
&rst
ixpk= 314, nxpk= 10, iat= 995, 975, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 PHE HA 69 PHE HN 3.30 (# 315:10 Unique 2.81, 2.88 A)
&rst
ixpk= 315, nxpk= 10, iat= 977, 975, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 PRO HD+ 69 PHE HN 3.80 (# 316:10 Unique 2.68, 3.36 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 962, 963,
&end
#
# 69 PHE HB- 69 PHE HN 2.90 (# 317:10 Unique 2.36, 2.59 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 979, 980,
&end
#
# 68 PRO HD- 69 PHE HN 4.00 (# 318:10 Unique 2.68, 3.36 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 962, 963,
&end
#
# 69 PHE HB+ 69 PHE HN 2.80 (# 319:10 Unique 2.36, 2.59 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 979, 980,
&end
#
# 0 AMB 10-2:320 69 PHE HN 5.50 (# 320:10 Single Ambig)
&rst
ixpk= 320, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 968, 969,1023,1024,
&end
#
# 68 PRO HB+ 69 PHE HN 4.50 (# 321:10 Unique 3.54, 4.06 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 968, 969,
&end
#
# 0 AMB 10-2:322 69 PHE HN 7.00 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 0 AMB 10-2:325 69 PHE HN 5.50 (# 325:10 Single Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946,1592,1593,1594,1596,
1597,1598,
&end
#
# 32 THR HN 3 ASP HN 5.00 (# 326:10 Unique 3.88, 4.37 A)
&rst
ixpk= 326, nxpk= 10, iat= 446, 31, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ILE HN 3 ASP HN 2.20 (# 327:10 Unique 1.85, 1.87 A)
&rst
ixpk= 327, nxpk= 10, iat= 43, 31, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 3 ASP HA 3 ASP HN 3.20 (# 329:10 Unique 2.79, 2.84 A)
&rst
ixpk= 329, nxpk= 10, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 5 THR HB 3 ASP HN 6.00 (# 330:10 Unique 5.57, 5.64 A)
&rst
ixpk= 330, nxpk= 10, iat= 66, 31, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ASP HB- 3 ASP HN 3.50 (# 331:10 Unique 2.92, 3.28 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 3 ASP HB+ 3 ASP HN 3.50 (# 332:10 Unique 2.92, 3.28 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 4 ILE HG1+ 3 ASP HN 4.50 (# 333:10 Unique 4.08, 4.46 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 53, 54,
&end
#
# 139 LEU HN 138 TRP HN 3.30 (# 334:10 Unique 2.70, 2.81 A)
&rst
ixpk= 334, nxpk= 10, iat=2046,2022, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 138 TRP HA 138 TRP HN 3.30 (# 335:10 Unique 2.75, 2.76 A)
&rst
ixpk= 335, nxpk= 10, iat=2024,2022, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 135 ALA HA 138 TRP HN 4.00 (# 336:10 Unique 3.27, 3.48 A)
&rst
ixpk= 336, nxpk= 10, iat=1984,2022, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 TRP HB- 138 TRP HN 3.00 (# 337:10 Unique 2.07, 2.66 A)
&rst
ixpk= 337, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2026,2027,
&end
#
# 138 TRP HB+ 138 TRP HN 2.90 (# 338:10 Unique 2.07, 2.66 A)
&rst
ixpk= 338, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=2026,2027,
&end
#
# 27 GLU HN 28 GLU HN 2.80 (# 339:10 Unique 2.36, 2.56 A)
&rst
ixpk= 339, nxpk= 10, iat= 379, 394, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 ALA HN 28 GLU HN 3.30 (# 340:10 Unique 2.55, 2.71 A)
&rst
ixpk= 340, nxpk= 10, iat= 409, 394, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:341 28 GLU HN 3.50 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 396, 340,
&end
#
# 28 GLU HG- 28 GLU HN 3.50 (# 342:10 Unique 2.19, 3.13 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 401, 402,
&end
#
# 0 AMB 10-2:343 28 GLU HN 2.80 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 401, 402, 398, 399,
&end
#
# 0 AMB 10-2:344 28 GLU HN 2.80 (# 344:10 Single Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 398, 399, 383, 384, 383, 384,
&end
#
# 29 ALA MB 28 GLU HN 5.50 (# 345:10 Unique 4.35, 5.42 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 413, 414, 415,
&end
#
# 137 GLU HN 138 TRP HN 3.30 (# 346:10 Unique 2.69, 2.89 A)
&rst
ixpk= 346, nxpk= 10, iat=2007,2022, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:347 138 TRP HN 3.50 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2011,2012,2011,2012,
&end
#
# 121 LEU MDY 138 TRP HN 7.00 (# 348:10 Unique 4.39, 6.27 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 27 GLU HA 28 GLU HN 4.00 (# 349:10 Unique 3.46, 3.53 A)
&rst
ixpk= 349, nxpk= 10, iat= 381, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 GLU HN 109 LEU HN 3.00 (# 350:10 Unique 2.61, 2.69 A)
&rst
ixpk= 350, nxpk= 10, iat=1568,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 LEU HB- 109 LEU HN 3.30 (# 351:10 Unique 2.05, 2.78 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1587,1588,
&end
#
# 0 AMB 10-2:352 109 LEU HN 4.50 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1592,1593,1594,1596,1597,1598,1166,1167,1168,1170,
1171,1172,
&end
#
# 109 LEU HB+ 109 LEU HN 3.30 (# 353:10 Unique 2.05, 2.78 A)
&rst
ixpk= 353, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1587,1588,
&end
#
# 0 AMB 10-2:354 109 LEU HN 3.50 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1585,1545,
&end
#
# 109 LEU HG 109 LEU HN 3.50 (# 355:10 Unique 2.83, 3.12 A)
&rst
ixpk= 355, nxpk= 10, iat=1590,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU MDX 109 LEU HN 4.50 (# 356:10 Unique 3.88, 4.82 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 138 TRP HN 139 LEU HN 3.30 (# 357:10 Unique 2.70, 2.81 A)
&rst
ixpk= 357, nxpk= 10, iat=2022,2046, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:359 139 LEU HN 3.50 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2048,1994,
&end
#
# 138 TRP HB- 139 LEU HN 3.50 (# 360:10 Unique 2.44, 3.18 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2026,2027,
&end
#
# 138 TRP HB+ 139 LEU HN 3.50 (# 361:10 Unique 2.44, 3.18 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2026,2027,
&end
#
# 139 LEU HB- 139 LEU HN 2.80 (# 362:10 Unique 2.11, 2.53 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2050,2051,
&end
#
# 139 LEU HB+ 139 LEU HN 2.80 (# 363:10 Unique 2.11, 2.53 A)
&rst
ixpk= 363, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2050,2051,
&end
#
# 139 LEU MDX 139 LEU HN 5.50 (# 364:10 Unique 3.49, 4.92 A)
&rst
ixpk= 364, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 129 ASP HA 129 ASP HN 2.80 (# 365:10 Unique 2.27, 2.41 A)
&rst
ixpk= 365, nxpk= 10, iat=1898,1896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 GLU HN 72 ALA HN 3.30 (# 366:10 Unique 2.73, 2.91 A)
&rst
ixpk= 366, nxpk= 10, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 ALA HA 72 ALA HN 3.30 (# 367:10 Unique 2.72, 2.79 A)
&rst
ixpk= 367, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:368 72 ALA HN 5.50 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1018, 997,
&end
#
# 0 AMB 10-2:369 72 ALA HN 3.50 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,1020,1021,
&end
#
# 72 ALA MB 72 ALA HN 2.80 (# 370:10 Unique 2.14, 2.89 A)
&rst
ixpk= 370, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 140 GLY HN 139 LEU HN 3.30 (# 371:10 Unique 2.69, 2.92 A)
&rst
ixpk= 371, nxpk= 10, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 139 LEU MDY 139 LEU HN 5.50 (# 372:10 Unique 3.49, 4.92 A)
&rst
ixpk= 372, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 130 ILE HN 129 ASP HN 4.00 (# 373:10 Unique 1.93, 3.36 A)
&rst
ixpk= 373, nxpk= 10, iat=1908,1896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:374 129 ASP HN 3.50 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1883,1884,1900,1901,1900,1901,
&end
#
# 26 LEU HN 27 GLU HN 3.30 (# 376:10 Unique 2.65, 2.81 A)
&rst
ixpk= 376, nxpk= 10, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 GLU HN 27 GLU HN 2.80 (# 377:10 Unique 2.36, 2.56 A)
&rst
ixpk= 377, nxpk= 10, iat= 394, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HA 27 GLU HN 3.30 (# 378:10 Unique 2.80, 2.86 A)
&rst
ixpk= 378, nxpk= 10, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 LEU HA 27 GLU HN 4.00 (# 379:10 Unique 3.50, 3.54 A)
&rst
ixpk= 379, nxpk= 10, iat= 362, 379, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HA 27 GLU HN 4.20 (# 380:10 Unique 3.46, 3.77 A)
&rst
ixpk= 380, nxpk= 10, iat= 325, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:381 27 GLU HN 3.50 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 10-2:382 27 GLU HN 3.50 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383, 384, 383, 384,
&end
#
# 0 AMB 10-2:383 27 GLU HN 3.50 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 364, 365, 466, 467, 468,
&end
#
# 26 LEU HG 27 GLU HN 4.80 (# 384:10 Unique 4.07, 4.34 A)
&rst
ixpk= 384, nxpk= 10, iat= 367, 379, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB 10-2:385 137 GLU HN 4.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2011,2012,2011,2012,
&end
#
# 95 TYR HB- 96 ASP HN 3.20 (# 387:10 Unique 1.94, 2.85 A)
&rst
ixpk= 387, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1380,1381,
&end
#
# 97 THR HN 96 ASP HN 3.00 (# 388:10 Unique 1.88, 2.60 A)
&rst
ixpk= 388, nxpk= 10, iat=1409,1397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 SER HN 111 ASN HN 3.20 (# 389:10 Unique 2.62, 2.74 A)
&rst
ixpk= 389, nxpk= 10, iat=1638,1624, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 111 ASN HA 111 ASN HN 3.20 (# 390:10 Unique 2.76, 2.78 A)
&rst
ixpk= 390, nxpk= 10, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 108 GLU HA 111 ASN HN 3.50 (# 391:10 Unique 2.94, 3.12 A)
&rst
ixpk= 391, nxpk= 10, iat=1570,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HA 111 ASN HN 5.00 (# 392:10 Unique 4.17, 4.30 A)
&rst
ixpk= 392, nxpk= 10, iat=1560,1624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:393 111 ASN HN 3.50 (# 393:10 Single Ambig)
&rst
ixpk= 393, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1628,1629,1628,1629,
&end
#
# 0 AMB 10-2:394 111 ASN HN 3.50 (# 394:10 Single Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 10-2:396 96 ASP HN 3.50 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1401,1402,1401,1402,
&end
#
# 0 AMB 10-2:399 8 SER HN 4.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 539,
&end
#
# 37 HIS HA 8 SER HN 4.50 (# 400:10 Unique 3.85, 4.05 A)
&rst
ixpk= 400, nxpk= 10, iat= 524, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HB+ 8 SER HN 3.00 (# 401:10 Unique 2.22, 2.66 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 118, 119,
&end
#
# 8 SER HB- 8 SER HN 3.00 (# 402:10 Unique 2.22, 2.66 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 118, 119,
&end
#
# 0 AMB 10-2:403 8 SER HN 5.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 99, 80, 81, 510,
&end
#
# 6 LEU HN 34 GLU HN 2.50 (# 404:10 Unique 2.01, 2.13 A)
&rst
ixpk= 404, nxpk= 10, iat= 76, 474, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 4 ILE HN 34 GLU HN 5.50 (# 405:10 Unique 4.49, 4.84 A)
&rst
ixpk= 405, nxpk= 10, iat= 43, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HA 34 GLU HN 2.80 (# 406:10 Unique 2.38, 2.46 A)
&rst
ixpk= 406, nxpk= 10, iat= 462, 474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 THR HA 34 GLU HN 2.70 (# 407:10 Unique 2.22, 2.38 A)
&rst
ixpk= 407, nxpk= 10, iat= 64, 474, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 34 GLU HA 34 GLU HN 3.30 (# 408:10 Unique 2.89, 2.89 A)
&rst
ixpk= 408, nxpk= 10, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 THR HB 34 GLU HN 2.50 (# 409:10 Unique 2.08, 2.27 A)
&rst
ixpk= 409, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 34 GLU HB- 34 GLU HN 3.50 (# 410:10 Unique 2.84, 3.20 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 0 AMB 10-2:411 34 GLU HN 4.50 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 478, 479, 80, 81,
&end
#
# 6 LEU HB- 34 GLU HN 4.50 (# 412:10 Unique 2.95, 3.94 A)
&rst
ixpk= 412, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:413 34 GLU HN 4.50 (# 413:10 Single Ambig)
&rst
ixpk= 413, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 0 AMB 10-2:414 34 GLU HN 7.00 (# 414:10 Single Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,
&end
#
# 8 SER HA 8 SER HN 3.30 (# 415:10 Unique 2.90, 2.90 A)
&rst
ixpk= 415, nxpk= 10, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 35 THR HA 8 SER HN 4.50 (# 416:10 Unique 4.16, 4.36 A)
&rst
ixpk= 416, nxpk= 10, iat= 491, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LEU HB- 8 SER HN 4.50 (# 417:10 Unique 3.17, 3.99 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 0 AMB 10-2:418 8 SER HN 5.50 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 940, 941, 942, 944, 945, 946, 777, 778, 779,
&end
#
# 7 ILE MG2 8 SER HN 4.50 (# 419:10 Unique 2.60, 3.90 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 101, 102, 103,
&end
#
# 49 ILE HA 49 ILE HN 3.30 (# 420:10 Unique 2.94, 2.94 A)
&rst
ixpk= 420, nxpk= 10, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 ILE HB 49 ILE HN 3.30 (# 421:10 Unique 2.78, 2.88 A)
&rst
ixpk= 421, nxpk= 10, iat= 690, 686, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:422 49 ILE HN 4.50 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 696, 697, 699, 700, 701,
&end
#
# 4 ILE HA 49 ILE HN 4.80 (# 423:10 Unique 3.87, 4.38 A)
&rst
ixpk= 423, nxpk= 10, iat= 45, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 48 GLY HA- 49 ILE HN 2.80 (# 424:10 Unique 2.37, 2.57 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 681, 682,
&end
#
# 48 GLY HA+ 49 ILE HN 2.80 (# 425:10 Unique 2.37, 2.57 A)
&rst
ixpk= 425, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 681, 682,
&end
#
# 49 ILE HG1- 49 ILE HN 4.00 (# 426:10 Unique 2.19, 3.64 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 696, 697,
&end
#
# 16 GLU HA 19 ALA HN 4.50 (# 427:10 Unique 3.62, 3.96 A)
&rst
ixpk= 427, nxpk= 10, iat= 202, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 VAL HA 19 ALA HN 4.00 (# 428:10 Unique 3.53, 3.54 A)
&rst
ixpk= 428, nxpk= 10, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 ILE MG2 49 ILE HN 5.30 (# 429:10 Unique 4.00, 4.73 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 692, 693, 694,
&end
#
# 0 AMB 10-2:430 19 ALA HN 4.50 (# 430:10 Single Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 240, 266, 267, 266, 267,
&end
#
# 61 ASP HA 62 ILE HN 2.80 (# 431:10 Unique 2.15, 2.49 A)
&rst
ixpk= 431, nxpk= 10, iat= 862, 872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 ILE HA 62 ILE HN 3.30 (# 432:10 Unique 2.85, 2.94 A)
&rst
ixpk= 432, nxpk= 10, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:433 62 ILE HN 3.50 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 864, 865, 864, 865,
&end
#
# 62 ILE HB 62 ILE HN 3.50 (# 434:10 Unique 2.55, 3.38 A)
&rst
ixpk= 434, nxpk= 10, iat= 876, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ILE HG1- 62 ILE HN 2.80 (# 435:10 Unique 2.10, 2.36 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 882, 883,
&end
#
# 62 ILE HG1+ 62 ILE HN 2.80 (# 436:10 Unique 2.10, 2.36 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 882, 883,
&end
#
# 62 ILE MD1 62 ILE HN 5.00 (# 437:10 Unique 3.74, 4.49 A)
&rst
ixpk= 437, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 885, 886, 887,
&end
#
# 18 VAL HN 19 ALA HN 3.00 (# 438:10 Unique 2.50, 2.69 A)
&rst
ixpk= 438, nxpk= 10, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:439 19 ALA HN 4.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 254, 192,
&end
#
# 19 ALA MB 19 ALA HN 2.80 (# 440:10 Unique 2.20, 2.88 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 256, 257, 258,
&end
#
# 18 VAL MGY 19 ALA HN 3.50 (# 441:10 Unique 1.95, 3.52 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 62 ILE MG2 62 ILE HN 5.00 (# 442:10 Unique 4.08, 4.48 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 878, 879, 880,
&end
#
# 114 ALA MB 115 LYS HN 3.40 (# 443:10 Unique 2.03, 2.99 A)
&rst
ixpk= 443, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1660,1661,1662,
&end
#
# 0 AMB 10-2:444 115 LYS HN 5.50 (# 444:10 Single Ambig)
&rst
ixpk= 444, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1237,1688,
&end
#
# 114 ALA HA 115 LYS HN 2.80 (# 445:10 Unique 2.38, 2.58 A)
&rst
ixpk= 445, nxpk= 10, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:446 115 LYS HN 3.50 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1670,1671,1670,1671,
&end
#
# 30 GLY HN 31 PHE HN 2.20 (# 447:10 Unique 1.81, 1.86 A)
&rst
ixpk= 447, nxpk= 10, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 10-2:449 31 PHE HN 3.50 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 381, 428,
&end
#
# 30 GLY HA+ 31 PHE HN 3.60 (# 450:10 Unique 2.92, 3.23 A)
&rst
ixpk= 450, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 421, 422,
&end
#
# 30 GLY HA- 31 PHE HN 3.60 (# 451:10 Unique 2.92, 3.23 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 421, 422,
&end
#
# 31 PHE HB+ 31 PHE HN 3.50 (# 452:10 Unique 2.54, 3.17 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 431,
&end
#
# 0 AMB 10-2:453 31 PHE HN 5.50 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 466, 467, 468, 364, 365,
&end
#
# 84 ARG HA 115 LYS HN 3.50 (# 455:10 Unique 2.75, 3.10 A)
&rst
ixpk= 455, nxpk= 10, iat=1215,1666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ALA HN 31 PHE HN 4.30 (# 456:10 Unique 3.88, 3.93 A)
&rst
ixpk= 456, nxpk= 10, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 PHE HB- 31 PHE HN 3.50 (# 457:10 Unique 2.54, 3.17 A)
&rst
ixpk= 457, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 431,
&end
#
# 29 ALA MB 31 PHE HN 5.30 (# 458:10 Unique 3.76, 4.80 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 413, 414, 415,
&end
#
# 15 ALA HN 14 GLY HN 3.50 (# 459:10 Unique 1.88, 3.04 A)
&rst
ixpk= 459, nxpk= 10, iat= 190, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 GLY HN 14 GLY HN 4.00 (# 460:10 Unique 1.87, 3.66 A)
&rst
ixpk= 460, nxpk= 10, iat= 176, 183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 GLY HA+ 14 GLY HN 3.00 (# 461:10 Unique 2.30, 2.63 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 185, 186,
&end
#
# 14 GLY HA- 14 GLY HN 3.00 (# 462:10 Unique 2.30, 2.63 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 185, 186,
&end
#
# 88 ILE HA 88 ILE HN 3.30 (# 463:10 Unique 2.94, 2.95 A)
&rst
ixpk= 463, nxpk= 10, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 ILE HG1- 88 ILE HN 4.50 (# 464:10 Unique 2.57, 4.23 A)
&rst
ixpk= 464, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1481,1482,
&end
#
# 53 ILE HA 88 ILE HN 3.00 (# 465:10 Unique 2.38, 2.69 A)
&rst
ixpk= 465, nxpk= 10, iat= 766,1274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:466 88 ILE HN 3.50 (# 466:10 Single Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1481,1482, 774, 775,1268,1269,1270,
&end
#
# 102 ILE MD1 88 ILE HN 4.50 (# 467:10 Unique 2.02, 4.29 A)
&rst
ixpk= 467, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1484,1485,1486,
&end
#
# 0 AMB 10-2:468 88 ILE HN 5.50 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
&end
#
# 87 ALA HA 88 ILE HN 2.50 (# 469:10 Unique 2.14, 2.22 A)
&rst
ixpk= 469, nxpk= 10, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:470 88 ILE HN 5.50 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 774, 775, 777, 778, 779, 940, 941, 942, 944, 945,
946, 940, 941, 942, 944, 945, 946,
&end
#
# 88 ILE HG1- 88 ILE HN 4.00 (# 471:10 Unique 2.42, 3.45 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1284,1285,
&end
#
# 88 ILE MG2 88 ILE HN 4.80 (# 472:10 Unique 2.18, 4.38 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1280,1281,1282,
&end
#
# 52 VAL HN 88 ILE HN 5.30 (# 473:10 Unique 4.50, 4.71 A)
&rst
ixpk= 473, nxpk= 10, iat= 748,1274, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 106 GLU HN 105 LEU HN 3.50 (# 474:10 Unique 2.67, 2.76 A)
&rst
ixpk= 474, nxpk= 10, iat=1543,1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LYS HN 105 LEU HN 3.20 (# 475:10 Unique 2.59, 2.75 A)
&rst
ixpk= 475, nxpk= 10, iat=1502,1524, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 PHE HA 70 TYR HN 4.00 (# 476:10 Unique 3.44, 3.48 A)
&rst
ixpk= 476, nxpk= 10, iat= 977, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 LEU HA 0 AMB 10-1:477 4.50 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1524, 995,
&end
#
# 0 AMB 10-2:478 0 AMB 10-1:478 7.00 (# 478:10 Double Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1547,1548, 938,
igr2=1524, 995,
&end
#
# 105 LEU HB- 0 AMB 10-1:479 3.50 (# 479:10 Single Ambig)
&rst
ixpk= 479, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1528,1529,
igr2=1524, 995,
&end
#
# 105 LEU HG 105 LEU HN 2.50 (# 480:10 Unique 1.87, 2.19 A)
&rst
ixpk= 480, nxpk= 10, iat=1531,1524, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:481 105 LEU HN 7.00 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1509,1510,1509,1510,1481,1482,
&end
#
# 0 AMB 10-2:482 0 AMB 10-1:482 4.50 (# 482:10 Double Ambig)
&rst
ixpk= 482, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1528,1529,1528,1529,
igr2=1524, 995,
&end
#
# 105 LEU MDX 0 AMB 10-1:483 4.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1524, 995,
&end
#
# 62 ILE MD1 105 LEU HN 5.00 (# 484:10 Unique 3.05, 4.43 A)
&rst
ixpk= 484, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 885, 886, 887,
&end
#
# 94 GLU HG- 94 GLU HN 5.00 (# 485:10 Unique 3.08, 4.34 A)
&rst
ixpk= 485, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 71 GLU HN 70 TYR HN 3.20 (# 486:10 Unique 2.61, 2.74 A)
&rst
ixpk= 486, nxpk= 10, iat=1016, 995, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 PHE HN 70 TYR HN 2.80 (# 487:10 Unique 2.26, 2.38 A)
&rst
ixpk= 487, nxpk= 10, iat= 975, 995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:489 0 AMB 10-1:489 5.50 (# 489:10 Double Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 952,1492,
igr2= 995,1524,
&end
#
# 70 TYR HA 70 TYR HN 3.20 (# 490:10 Unique 2.79, 2.83 A)
&rst
ixpk= 490, nxpk= 10, iat= 997, 995, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 70 TYR HB+ 70 TYR HN 2.80 (# 491:10 Unique 2.24, 2.55 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 999,1000,
&end
#
# 70 TYR HB- 70 TYR HN 2.80 (# 492:10 Unique 2.24, 2.55 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 999,1000,
&end
#
# 105 LEU MDY 0 AMB 10-1:493 4.50 (# 493:10 Single Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1524, 995,
&end
#
# 93 ARG HN 94 GLU HN 3.20 (# 494:10 Unique 2.47, 2.75 A)
&rst
ixpk= 494, nxpk= 10, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 95 TYR HN 94 GLU HN 2.80 (# 495:10 Unique 1.81, 2.40 A)
&rst
ixpk= 495, nxpk= 10, iat=1376,1361, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 ARG HA 94 GLU HN 3.80 (# 497:10 Unique 2.53, 3.28 A)
&rst
ixpk= 497, nxpk= 10, iat=1339,1361, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 GLU HA 94 GLU HN 3.20 (# 498:10 Unique 2.76, 2.84 A)
&rst
ixpk= 498, nxpk= 10, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 94 GLU HB+ 94 GLU HN 3.20 (# 499:10 Unique 2.06, 2.76 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1365,1366,
&end
#
# 94 GLU HB- 94 GLU HN 3.20 (# 500:10 Unique 2.06, 2.76 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1365,1366,
&end
#
# 126 LEU MDY 94 GLU HN 4.50 (# 501:10 Unique 2.66, 5.39 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1857,1858,1859,1861,1862,1863,
&end
#
# 92 SER HA 94 GLU HN 4.00 (# 502:10 Unique 3.07, 3.59 A)
&rst
ixpk= 502, nxpk= 10, iat=1328,1361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 SER HB- 94 GLU HN 4.80 (# 503:10 Unique 2.76, 4.14 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1330,1331,
&end
#
# 19 ALA HN 18 VAL HN 3.00 (# 504:10 Unique 2.50, 2.69 A)
&rst
ixpk= 504, nxpk= 10, iat= 252, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:505 18 VAL HN 4.50 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 192, 185, 186,
&end
#
# 18 VAL HA 18 VAL HN 3.20 (# 506:10 Unique 2.75, 2.81 A)
&rst
ixpk= 506, nxpk= 10, iat= 238, 236, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 17 TYR HB- 18 VAL HN 3.50 (# 507:10 Unique 2.45, 3.22 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 219, 220,
&end
#
# 18 VAL HB 18 VAL HN 3.00 (# 508:10 Unique 2.52, 2.59 A)
&rst
ixpk= 508, nxpk= 10, iat= 240, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 VAL MGX 18 VAL HN 3.50 (# 509:10 Unique 1.93, 3.73 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL MGY 18 VAL HN 4.30 (# 510:10 Unique 1.93, 3.73 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 17 TYR HN 18 VAL HN 2.50 (# 511:10 Unique 2.17, 2.27 A)
&rst
ixpk= 511, nxpk= 10, iat= 215, 236, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:512 18 VAL HN 5.50 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 256, 257, 258, 194, 195, 196,
&end
#
# 125 ILE MG2 91 GLY HN 5.00 (# 513:10 Unique 1.94, 4.65 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1835,1836,1837,
&end
#
# 18 VAL HA 21 HIS HN 3.80 (# 514:10 Unique 3.17, 3.35 A)
&rst
ixpk= 514, nxpk= 10, iat= 238, 277, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 91 GLY HA- 91 GLY HN 3.20 (# 516:10 Unique 2.55, 2.79 A)
&rst
ixpk= 516, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1321,1322,
&end
#
# 0 AMB 10-2:517 91 GLY HN 3.50 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1302,1321,1322,
&end
#
# 0 AMB 10-2:518 91 GLY HN 7.00 (# 518:10 Single Ambig)
&rst
ixpk= 518, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1800,1341,1342,
&end
#
# 90 ILE HB 91 GLY HN 4.50 (# 519:10 Unique 2.52, 3.99 A)
&rst
ixpk= 519, nxpk= 10, iat=1304,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE MG2 91 GLY HN 4.00 (# 520:10 Unique 2.19, 3.56 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1306,1307,1308,
&end
#
# 20 GLU HA 21 HIS HN 4.00 (# 521:10 Unique 3.50, 3.53 A)
&rst
ixpk= 521, nxpk= 10, iat= 264, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LEU HN 21 HIS HN 3.20 (# 522:10 Unique 2.71, 2.78 A)
&rst
ixpk= 522, nxpk= 10, iat= 294, 277, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 23 ALA HN 21 HIS HN 5.00 (# 523:10 Unique 4.26, 4.50 A)
&rst
ixpk= 523, nxpk= 10, iat= 313, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HN 21 HIS HN 2.80 (# 524:10 Unique 2.41, 2.55 A)
&rst
ixpk= 524, nxpk= 10, iat= 262, 277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 HIS HA 21 HIS HN 3.20 (# 525:10 Unique 2.74, 2.76 A)
&rst
ixpk= 525, nxpk= 10, iat= 279, 277, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 21 HIS HB+ 21 HIS HN 3.00 (# 526:10 Unique 2.12, 2.60 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 281, 282,
&end
#
# 21 HIS HB- 21 HIS HN 3.00 (# 527:10 Unique 2.12, 2.60 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 281, 282,
&end
#
# 24 GLU HB+ 21 HIS HN 5.50 (# 528:10 Unique 4.88, 5.39 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 327, 328,
&end
#
# 0 AMB 10-2:529 110 LYS HN 5.50 (# 529:10 Single Ambig)
&rst
ixpk= 529, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1585,1545,
&end
#
# 0 AMB 10-2:530 110 LYS HN 2.80 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 10-2:531 110 LYS HN 4.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1609,1610,1609,1610,
&end
#
# 107 ALA HA 110 LYS HN 4.20 (# 532:10 Unique 3.64, 3.83 A)
&rst
ixpk= 532, nxpk= 10, iat=1560,1602, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:533 110 LYS HN 3.50 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1624,1583,
&end
#
# 110 LYS HA 110 LYS HN 3.20 (# 534:10 Unique 2.83, 2.89 A)
&rst
ixpk= 534, nxpk= 10, iat=1604,1602, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:535 110 LYS HN 5.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1612,1613,1612,1613,
&end
#
# 109 LEU HB- 110 LYS HN 3.50 (# 536:10 Unique 2.64, 3.00 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1587,1588,
&end
#
# 109 LEU HB+ 110 LYS HN 3.50 (# 537:10 Unique 2.64, 3.00 A)
&rst
ixpk= 537, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1587,1588,
&end
#
# 103 ASP HA 106 GLU HN 4.40 (# 538:10 Unique 3.59, 3.74 A)
&rst
ixpk= 538, nxpk= 10, iat=1492,1543, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 0 AMB 10-2:539 106 GLU HN 7.00 (# 539:10 Single Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1562,1563,1564,1512,1513,
&end
#
# 105 LEU HB+ 106 GLU HN 3.80 (# 540:10 Unique 2.13, 3.42 A)
&rst
ixpk= 540, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1528,1529,
&end
#
# 102 ILE MD1 106 GLU HN 5.00 (# 541:10 Unique 2.53, 4.45 A)
&rst
ixpk= 541, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1484,1485,1486,
&end
#
# 109 LEU MDX 106 GLU HN 7.00 (# 542:10 Unique 4.54, 6.87 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 105 LEU HN 106 GLU HN 3.20 (# 543:10 Unique 2.67, 2.76 A)
&rst
ixpk= 543, nxpk= 10, iat=1524,1543, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 107 ALA HN 106 GLU HN 2.80 (# 544:10 Unique 2.20, 2.43 A)
&rst
ixpk= 544, nxpk= 10, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 GLU HA 106 GLU HN 3.30 (# 545:10 Unique 2.76, 2.89 A)
&rst
ixpk= 545, nxpk= 10, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 GLU HG+ 106 GLU HN 4.30 (# 546:10 Unique 2.15, 3.74 A)
&rst
ixpk= 546, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1550,1551,
&end
#
# 0 AMB 10-2:547 106 GLU HN 2.80 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1547,1548,1547,1548,
&end
#
# 105 LEU HB- 106 GLU HN 3.80 (# 548:10 Unique 2.13, 3.42 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1528,1529,
&end
#
# 105 LEU HG 106 GLU HN 4.60 (# 549:10 Unique 2.38, 4.10 A)
&rst
ixpk= 549, nxpk= 10, iat=1531,1543, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:550 106 GLU HN 7.00 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1481,1482,1587,1588,1268,1269,1270,
&end
#
# 0 AMB 10-2:551 73 LEU HN 5.50 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1067,1068,1572,1573,1096,1097,
&end
#
# 23 ALA HN 22 LEU HN 2.80 (# 552:10 Unique 2.30, 2.45 A)
&rst
ixpk= 552, nxpk= 10, iat= 313, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 HIS HN 22 LEU HN 3.30 (# 553:10 Unique 2.71, 2.78 A)
&rst
ixpk= 553, nxpk= 10, iat= 277, 294, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 22 LEU HA 22 LEU HN 3.30 (# 554:10 Unique 2.90, 2.91 A)
&rst
ixpk= 554, nxpk= 10, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 HIS HB- 22 LEU HN 3.80 (# 555:10 Unique 2.64, 3.28 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 281, 282,
&end
#
# 22 LEU HG 22 LEU HN 3.00 (# 556:10 Unique 2.15, 2.54 A)
&rst
ixpk= 556, nxpk= 10, iat= 301, 294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 LEU HB- 22 LEU HN 3.50 (# 557:10 Unique 2.39, 3.07 A)
&rst
ixpk= 557, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 22 LEU MDY 22 LEU HN 5.00 (# 558:10 Unique 3.55, 4.48 A)
&rst
ixpk= 558, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 10-2:559 22 LEU HN 4.50 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 303, 304, 305, 307, 308, 309, 242, 243, 244, 246,
247, 248,
&end
#
# 74 GLN HN 73 LEU HN 3.30 (# 560:10 Unique 2.69, 2.79 A)
&rst
ixpk= 560, nxpk= 10, iat=1060,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 ALA HA 73 LEU HN 4.00 (# 561:10 Unique 3.52, 3.54 A)
&rst
ixpk= 561, nxpk= 10, iat=1033,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:562 73 LEU HN 5.50 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 997,1018,
&end
#
# 73 LEU HA 73 LEU HN 3.30 (# 563:10 Unique 2.75, 2.78 A)
&rst
ixpk= 563, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 73 LEU HB- 73 LEU HN 3.30 (# 564:10 Unique 2.07, 2.86 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1045,1046,
&end
#
# 72 ALA MB 73 LEU HN 3.50 (# 565:10 Unique 2.51, 3.41 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1035,1036,1037,
&end
#
# 73 LEU HG 73 LEU HN 3.30 (# 566:10 Unique 2.50, 2.87 A)
&rst
ixpk= 566, nxpk= 10, iat=1048,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 73 LEU HB+ 73 LEU HN 3.30 (# 567:10 Unique 2.07, 2.86 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1045,1046,
&end
#
# 41 LEU MDX 73 LEU HN 5.50 (# 568:10 Unique 3.49, 5.77 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDY 73 LEU HN 5.00 (# 569:10 Unique 3.56, 4.64 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU MDX 73 LEU HN 5.00 (# 570:10 Unique 3.56, 4.64 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 21 HIS HB+ 22 LEU HN 3.80 (# 571:10 Unique 2.64, 3.28 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 281, 282,
&end
#
# 22 LEU HB+ 22 LEU HN 3.50 (# 572:10 Unique 2.39, 3.07 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 19 ALA HA 22 LEU HN 4.50 (# 573:10 Unique 3.80, 3.94 A)
&rst
ixpk= 573, nxpk= 10, iat= 254, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 ASP HN 130 ILE HN 3.80 (# 574:10 Unique 1.93, 3.36 A)
&rst
ixpk= 574, nxpk= 10, iat=1896,1908, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:576 130 ILE HN 4.50 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1900,1901,1900,1901,1883,1884,
&end
#
# 130 ILE HB 130 ILE HN 3.80 (# 577:10 Unique 2.53, 3.20 A)
&rst
ixpk= 577, nxpk= 10, iat=1912,1908, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 129 ASP HA 130 ILE HN 3.60 (# 578:10 Unique 2.15, 3.10 A)
&rst
ixpk= 578, nxpk= 10, iat=1898,1908, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 130 ILE MD1 130 ILE HN 5.30 (# 579:10 Unique 2.33, 4.77 A)
&rst
ixpk= 579, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1921,1922,1923,
&end
#
# 119 GLU HA 119 GLU HN 3.30 (# 580:10 Unique 2.92, 2.92 A)
&rst
ixpk= 580, nxpk= 10, iat=1728,1726, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:581 119 GLU HN 4.50 (# 581:10 Single Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1733,1734,1733,1734,
&end
#
# 119 GLU HB- 119 GLU HN 3.50 (# 582:10 Unique 2.57, 3.28 A)
&rst
ixpk= 582, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1730,1731,
&end
#
# 118 GLY HN 119 GLU HN 4.80 (# 583:10 Unique 4.21, 4.37 A)
&rst
ixpk= 583, nxpk= 10, iat=1719,1726, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 118 GLY HA+ 119 GLU HN 3.20 (# 584:10 Unique 2.14, 2.72 A)
&rst
ixpk= 584, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1721,1722,
&end
#
# 118 GLY HA- 119 GLU HN 3.20 (# 585:10 Unique 2.14, 2.72 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1721,1722,
&end
#
# 119 GLU HB+ 119 GLU HN 3.50 (# 586:10 Unique 2.57, 3.28 A)
&rst
ixpk= 586, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1730,1731,
&end
#
# 138 TRP HE1 119 GLU HN 4.00 (# 587:10 Unique 2.20, 3.67 A)
&rst
ixpk= 587, nxpk= 10, iat=2032,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:588 119 GLU HN 4.50 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2144,2146,2147,2148,2150,2151,2152,1711,1712,1713,
&end
#
# 0 AMB 10-2:589 65 ASN HN 4.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 905, 926, 927,
&end
#
# 66 LEU HN 65 ASN HN 2.50 (# 590:10 Unique 2.11, 2.27 A)
&rst
ixpk= 590, nxpk= 10, iat= 931, 917, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 65 ASN HB- 65 ASN HN 3.30 (# 591:10 Unique 2.16, 2.91 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 921, 922,
&end
#
# 64 ASP HB+ 65 ASN HN 4.50 (# 592:10 Unique 3.43, 4.15 A)
&rst
ixpk= 592, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 63 PRO HB- 65 ASN HN 3.50 (# 593:10 Unique 2.14, 3.24 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 898, 899,
&end
#
# 65 ASN HA 65 ASN HN 3.30 (# 594:10 Unique 2.84, 2.93 A)
&rst
ixpk= 594, nxpk= 10, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 ASP HA 65 ASN HN 3.50 (# 595:10 Unique 3.00, 3.05 A)
&rst
ixpk= 595, nxpk= 10, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ASN HB+ 65 ASN HN 3.30 (# 596:10 Unique 2.16, 2.91 A)
&rst
ixpk= 596, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 921, 922,
&end
#
# 63 PRO HB+ 65 ASN HN 3.80 (# 597:10 Unique 2.14, 3.24 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 898, 899,
&end
#
# 117 THR HA 118 GLY HN 2.50 (# 598:10 Unique 2.15, 2.19 A)
&rst
ixpk= 598, nxpk= 10, iat=1707,1719, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 119 GLU HN 118 GLY HN 5.00 (# 600:10 Unique 4.21, 4.37 A)
&rst
ixpk= 600, nxpk= 10, iat=1726,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLY HA- 118 GLY HN 3.00 (# 601:10 Unique 2.30, 2.65 A)
&rst
ixpk= 601, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1721,1722,
&end
#
# 0 AMB 10-2:602 118 GLY HN 4.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1711,1712,1713,2144,
&end
#
# 0 AMB 10-2:603 40 LEU HN 3.50 (# 603:10 Single Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 553, 554, 553, 554,
&end
#
# 40 LEU HG 40 LEU HN 3.60 (# 604:10 Unique 3.00, 3.20 A)
&rst
ixpk= 604, nxpk= 10, iat= 567, 560, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 40 LEU HB+ 40 LEU HN 3.30 (# 605:10 Unique 2.25, 2.93 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 564, 565,
&end
#
# 65 ASN HD2- 10 SER HN 3.50 (# 606:10 Unique 2.14, 3.07 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 926, 927,
&end
#
# 65 ASN HD2+ 10 SER HN 3.50 (# 607:10 Unique 2.14, 3.07 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 926, 927,
&end
#
# 0 AMB 10-2:608 10 SER HN 3.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 127, 128, 134,
&end
#
# 10 SER HB+ 10 SER HN 4.00 (# 609:10 Unique 2.69, 3.36 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 136, 137,
&end
#
# 10 SER HB- 10 SER HN 4.00 (# 610:10 Unique 2.69, 3.36 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 136, 137,
&end
#
# 9 GLY HA+ 10 SER HN 3.30 (# 611:10 Unique 2.25, 2.94 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 127, 128,
&end
#
# 63 PRO HB- 10 SER HN 4.80 (# 612:10 Unique 3.52, 4.31 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 898, 899,
&end
#
# 0 AMB 10-2:613 10 SER HN 4.50 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 207, 208, 207, 208, 898, 899,
&end
#
# 0 AMB 10-2:614 10 SER HN 7.00 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 895, 896, 935, 936,
&end
#
# 72 ALA HN 71 GLU HN 3.30 (# 615:10 Unique 2.73, 2.91 A)
&rst
ixpk= 615, nxpk= 10, iat=1031,1016, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:616 71 GLU HN 3.50 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1018, 997,
&end
#
# 70 TYR HB- 71 GLU HN 3.50 (# 617:10 Unique 2.05, 3.12 A)
&rst
ixpk= 617, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 71 GLU HG- 71 GLU HN 3.80 (# 618:10 Unique 2.15, 3.43 A)
&rst
ixpk= 618, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1023,1024,
&end
#
# 71 GLU HG+ 71 GLU HN 3.80 (# 619:10 Unique 2.15, 3.43 A)
&rst
ixpk= 619, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1023,1024,
&end
#
# 0 AMB 10-2:620 71 GLU HN 3.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,1020,1021,
&end
#
# 43 ASP HN 40 LEU HN 5.00 (# 621:10 Unique 3.82, 4.13 A)
&rst
ixpk= 621, nxpk= 10, iat= 613, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 LEU HA 40 LEU HN 3.40 (# 622:10 Unique 2.88, 2.91 A)
&rst
ixpk= 622, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 39 PRO HA 40 LEU HN 2.50 (# 623:10 Unique 2.15, 2.16 A)
&rst
ixpk= 623, nxpk= 10, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:624 40 LEU HN 4.50 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 617, 618, 617, 618,
&end
#
# 40 LEU HB- 40 LEU HN 3.30 (# 625:10 Unique 2.25, 2.93 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 564, 565,
&end
#
# 0 AMB 10-2:626 40 LEU HN 4.50 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 9 GLY HN 10 SER HN 3.80 (# 627:10 Unique 3.02, 3.27 A)
&rst
ixpk= 627, nxpk= 10, iat= 125, 132, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:628 10 SER HN 5.50 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 895, 896, 194, 195, 196,
&end
#
# 110 LYS HN 108 GLU HN 4.80 (# 630:10 Unique 3.93, 4.25 A)
&rst
ixpk= 630, nxpk= 10, iat=1602,1568, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 107 ALA HN 108 GLU HN 3.30 (# 631:10 Unique 2.79, 2.94 A)
&rst
ixpk= 631, nxpk= 10, iat=1558,1568, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 LEU HN 108 GLU HN 3.00 (# 633:10 Unique 2.61, 2.69 A)
&rst
ixpk= 633, nxpk= 10, iat=1583,1568, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 GLU HA 108 GLU HN 3.20 (# 634:10 Unique 2.78, 2.82 A)
&rst
ixpk= 634, nxpk= 10, iat=1570,1568, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:635 108 GLU HN 4.50 (# 635:10 Single Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1575,1576,1575,1576,
&end
#
# 108 GLU HB- 108 GLU HN 3.00 (# 636:10 Unique 2.06, 2.69 A)
&rst
ixpk= 636, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1572,1573,
&end
#
# 107 ALA MB 108 GLU HN 3.50 (# 637:10 Unique 2.07, 3.16 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1562,1563,1564,
&end
#
# 108 GLU HB+ 108 GLU HN 3.00 (# 638:10 Unique 2.06, 2.69 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1572,1573,
&end
#
# 84 ARG HA 85 PHE HN 2.50 (# 639:10 Unique 2.14, 2.17 A)
&rst
ixpk= 639, nxpk= 10, iat=1215,1237, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 116 GLN HA 85 PHE HN 3.50 (# 640:10 Unique 3.06, 3.47 A)
&rst
ixpk= 640, nxpk= 10, iat=1690,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 PHE HB+ 85 PHE HN 4.00 (# 641:10 Unique 2.64, 3.38 A)
&rst
ixpk= 641, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1241,1242,
&end
#
# 83 VAL MGX 85 PHE HN 7.00 (# 642:10 Unique 3.43, 5.99 A)
&rst
ixpk= 642, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:643 85 PHE HN 4.50 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1705,1257,
&end
#
# 115 LYS HN 85 PHE HN 4.30 (# 644:10 Unique 3.00, 3.73 A)
&rst
ixpk= 644, nxpk= 10, iat=1666,1237, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:645 85 PHE HN 4.50 (# 645:10 Single Ambig)
&rst
ixpk= 645, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1239,1226,
&end
#
# 0 AMB 10-2:647 85 PHE HN 4.50 (# 647:10 Single Ambig)
&rst
ixpk= 647, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1217,1218,1670,1671,1670,1671,
&end
#
# 0 AMB 10-2:648 75 GLU HN 4.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1064,1065,1113,1114,1113,1114,
&end
#
# 76 GLN HN 75 GLU HN 2.80 (# 649:10 Unique 2.29, 2.49 A)
&rst
ixpk= 649, nxpk= 10, iat=1092,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 GLN HN 75 GLU HN 2.80 (# 650:10 Unique 2.27, 2.34 A)
&rst
ixpk= 650, nxpk= 10, iat=1060,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 ALA HA 75 GLU HN 3.50 (# 651:10 Unique 3.07, 3.14 A)
&rst
ixpk= 651, nxpk= 10, iat=1033,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 GLU HA 75 GLU HN 3.20 (# 652:10 Unique 2.81, 2.86 A)
&rst
ixpk= 652, nxpk= 10, iat=1079,1077, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:653 75 GLU HN 5.50 (# 653:10 Single Ambig)
&rst
ixpk= 653, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1062,1018,
&end
#
# 75 GLU HG- 75 GLU HN 4.80 (# 654:10 Unique 2.50, 4.38 A)
&rst
ixpk= 654, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1084,1085,
&end
#
# 75 GLU HB+ 75 GLU HN 2.80 (# 655:10 Unique 2.42, 2.61 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1081,1082,
&end
#
# 75 GLU HG+ 75 GLU HN 4.80 (# 656:10 Unique 2.50, 4.38 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1084,1085,
&end
#
# 79 ASP HA 79 ASP HN 4.00 (# 657:10 Unique 2.27, 2.67 A)
&rst
ixpk= 657, nxpk= 10, iat=1147,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PRO HA 79 ASP HN 3.30 (# 658:10 Unique 2.47, 2.96 A)
&rst
ixpk= 658, nxpk= 10, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 ASP HB- 79 ASP HN 3.50 (# 659:10 Unique 2.29, 3.09 A)
&rst
ixpk= 659, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 79 ASP HB+ 79 ASP HN 3.50 (# 660:10 Unique 2.29, 3.09 A)
&rst
ixpk= 660, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 78 PRO HB- 79 ASP HN 3.80 (# 661:10 Unique 1.89, 3.25 A)
&rst
ixpk= 661, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1138,1139,
&end
#
# 0 AMB 10-2:662 79 ASP HN 5.50 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1135,1136,1135,1136,
&end
#
# 78 PRO HB+ 79 ASP HN 3.80 (# 663:10 Unique 1.89, 3.25 A)
&rst
ixpk= 663, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1138,1139,
&end
#
# 80 LEU MDX 79 ASP HN 5.50 (# 664:10 Unique 2.34, 5.43 A)
&rst
ixpk= 664, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 4 ILE MD1 4 ILE HN 5.50 (# 665:10 Unique 4.67, 4.98 A)
&rst
ixpk= 665, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 56, 57, 58,
&end
#
# 3 ASP HN 4 ILE HN 2.20 (# 666:10 Unique 1.85, 1.87 A)
&rst
ixpk= 666, nxpk= 10, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 33 THR HA 4 ILE HN 3.30 (# 667:10 Unique 2.71, 2.92 A)
&rst
ixpk= 667, nxpk= 10, iat= 462, 43, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 ILE HA 4 ILE HN 3.30 (# 668:10 Unique 2.92, 2.94 A)
&rst
ixpk= 668, nxpk= 10, iat= 45, 43, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 3 ASP HB- 4 ILE HN 3.50 (# 669:10 Unique 2.60, 3.18 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 3 ASP HB+ 4 ILE HN 3.50 (# 670:10 Unique 2.60, 3.18 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 4 ILE HB 4 ILE HN 3.50 (# 671:10 Unique 2.93, 3.03 A)
&rst
ixpk= 671, nxpk= 10, iat= 47, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HG1+ 4 ILE HN 3.30 (# 672:10 Unique 2.44, 2.90 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 53, 54,
&end
#
# 4 ILE HG1- 4 ILE HN 3.30 (# 673:10 Unique 2.44, 2.90 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 53, 54,
&end
#
# 0 AMB 10-2:674 4 ILE HN 4.50 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 49, 50, 51, 369, 370, 371, 373, 374, 375,
&end
#
# 3 ASP HA 4 ILE HN 3.80 (# 675:10 Unique 3.51, 3.52 A)
&rst
ixpk= 675, nxpk= 10, iat= 33, 43, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 72 ALA MB 76 GLN HN 6.00 (# 676:10 Unique 4.40, 5.45 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1035,1036,1037,
&end
#
# 75 GLU HN 76 GLN HN 2.80 (# 677:10 Unique 2.29, 2.49 A)
&rst
ixpk= 677, nxpk= 10, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LYS HN 76 GLN HN 2.50 (# 678:10 Unique 1.98, 2.05 A)
&rst
ixpk= 678, nxpk= 10, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 72 ALA HA 76 GLN HN 4.20 (# 679:10 Unique 3.48, 3.88 A)
&rst
ixpk= 679, nxpk= 10, iat=1033,1092, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:680 76 GLN HN 3.50 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1094,1079,
&end
#
# 76 GLN HG+ 76 GLN HN 3.20 (# 681:10 Unique 1.95, 2.76 A)
&rst
ixpk= 681, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1099,1100,
&end
#
# 0 AMB 10-2:682 76 GLN HN 3.50 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1081,1082,1096,1097,
&end
#
# 76 GLN HB+ 76 GLN HN 3.50 (# 683:10 Unique 2.74, 3.28 A)
&rst
ixpk= 683, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:684 76 GLN HN 7.00 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1113,1114,1113,1114, 583, 584,
&end
#
# 21 HIS HN 20 GLU HN 2.80 (# 685:10 Unique 2.41, 2.55 A)
&rst
ixpk= 685, nxpk= 10, iat= 277, 262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 ALA HA 20 GLU HN 4.00 (# 686:10 Unique 3.56, 3.56 A)
&rst
ixpk= 686, nxpk= 10, iat= 254, 262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ALA MB 20 GLU HN 3.50 (# 687:10 Unique 2.38, 3.22 A)
&rst
ixpk= 687, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 256, 257, 258,
&end
#
# 17 TYR HA 20 GLU HN 4.30 (# 689:10 Unique 3.54, 3.74 A)
&rst
ixpk= 689, nxpk= 10, iat= 217, 262, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 GLU HA 20 GLU HN 3.30 (# 690:10 Unique 2.81, 2.85 A)
&rst
ixpk= 690, nxpk= 10, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 GLU HG- 20 GLU HN 4.50 (# 691:10 Unique 4.40, 4.48 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 269, 270,
&end
#
# 20 GLU HG+ 20 GLU HN 4.50 (# 692:10 Unique 4.40, 4.48 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 269, 270,
&end
#
# 0 AMB 10-2:693 20 GLU HN 3.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267, 266, 267,
&end
#
# 35 THR MG2 20 GLU HN 5.50 (# 694:10 Unique 3.94, 5.05 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 495, 496, 497,
&end
#
# 0 AMB 10-2:695 38 GLY HN 7.00 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 921, 922, 526, 527,
&end
#
# 0 AMB 10-2:696 54 SER HN 7.00 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 794, 125,
&end
#
# 54 SER HA 54 SER HN 3.30 (# 697:10 Unique 2.92, 2.94 A)
&rst
ixpk= 697, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 SER HN 38 GLY HN 3.80 (# 698:10 Unique 3.13, 3.42 A)
&rst
ixpk= 698, nxpk= 10, iat= 114, 539, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 HIS HA 38 GLY HN 2.50 (# 699:10 Unique 2.17, 2.21 A)
&rst
ixpk= 699, nxpk= 10, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 38 GLY HA+ 38 GLY HN 2.80 (# 700:10 Unique 2.30, 2.53 A)
&rst
ixpk= 700, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 541, 542,
&end
#
# 38 GLY HA- 38 GLY HN 2.80 (# 701:10 Unique 2.30, 2.53 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 541, 542,
&end
#
# 9 GLY HA+ 38 GLY HN 4.50 (# 703:10 Unique 3.34, 4.24 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 66 LEU MDX 38 GLY HN 4.50 (# 704:10 Unique 3.65, 5.37 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 53 ILE HA 54 SER HN 2.50 (# 705:10 Unique 2.14, 2.15 A)
&rst
ixpk= 705, nxpk= 10, iat= 766, 783, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 SER HB- 54 SER HN 3.50 (# 706:10 Unique 2.41, 3.18 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 0 AMB 10-2:707 54 SER HN 4.50 (# 707:10 Single Ambig)
&rst
ixpk= 707, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 787, 788,1295,1296,
&end
#
# 0 AMB 10-2:708 54 SER HN 4.50 (# 708:10 Single Ambig)
&rst
ixpk= 708, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1481,1482, 774, 775,
&end
#
# 102 ILE MD1 54 SER HN 4.50 (# 709:10 Unique 1.95, 4.15 A)
&rst
ixpk= 709, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1484,1485,1486,
&end
#
# 0 AMB 10-2:710 54 SER HN 3.50 (# 710:10 Single Ambig)
&rst
ixpk= 710, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 770, 771, 772, 940, 941, 942, 944, 945, 946,
&end
#
# 37 HIS HB+ 38 GLY HN 4.80 (# 711:10 Unique 3.77, 4.29 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 526, 527,
&end
#
# 42 GLU HA 42 GLU HN 3.30 (# 713:10 Unique 2.81, 2.86 A)
&rst
ixpk= 713, nxpk= 10, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 ASP HN 42 GLU HN 2.80 (# 714:10 Unique 2.50, 2.54 A)
&rst
ixpk= 714, nxpk= 10, iat= 613, 598, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:715 42 GLU HN 3.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 605, 606, 605, 606,
&end
#
# 0 AMB 10-2:716 42 GLU HN 3.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 602, 603, 602, 603,
&end
#
# 40 LEU HB- 42 GLU HN 3.20 (# 717:10 Unique 2.23, 2.73 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 564, 565,
&end
#
# 40 LEU HB+ 42 GLU HN 3.20 (# 718:10 Unique 2.23, 2.73 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 564, 565,
&end
#
# 41 LEU MDY 42 GLU HN 6.50 (# 719:10 Unique 3.51, 5.74 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU MDX 42 GLU HN 6.50 (# 720:10 Unique 3.51, 5.74 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 10-2:721 42 GLU HN 4.50 (# 721:10 Single Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 583, 584, 629, 630,
&end
#
# 0 AMB 10-2:722 42 GLU HN 5.50 (# 722:10 Single Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 81 SER HA 81 SER HN 2.80 (# 724:10 Unique 2.28, 2.46 A)
&rst
ixpk= 724, nxpk= 10, iat=1178,1176, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HG 81 SER HN 4.50 (# 725:10 Unique 3.18, 4.14 A)
&rst
ixpk= 725, nxpk= 10, iat=1164,1176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU MDX 81 SER HN 5.80 (# 726:10 Unique 4.00, 5.38 A)
&rst
ixpk= 726, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 79 ASP HA 81 SER HN 4.50 (# 727:10 Unique 2.97, 4.02 A)
&rst
ixpk= 727, nxpk= 10, iat=1147,1176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU HA 81 SER HN 3.80 (# 728:10 Unique 2.76, 3.36 A)
&rst
ixpk= 728, nxpk= 10, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:729 81 SER HN 3.50 (# 729:10 Single Ambig)
&rst
ixpk= 729, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1180,1181,1180,1181,
&end
#
# 91 GLY HA- 92 SER HN 3.30 (# 733:10 Unique 2.14, 2.76 A)
&rst
ixpk= 733, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1321,1322,
&end
#
# 91 GLY HA+ 92 SER HN 3.30 (# 734:10 Unique 2.14, 2.76 A)
&rst
ixpk= 734, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1321,1322,
&end
#
# 0 AMB 10-2:735 92 SER HN 5.50 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1330,1331, 845,
&end
#
# 92 SER HB- 92 SER HN 3.50 (# 736:10 Unique 2.07, 3.19 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1330,1331,
&end
#
# 92 SER HA 92 SER HN 3.20 (# 737:10 Unique 2.28, 2.74 A)
&rst
ixpk= 737, nxpk= 10, iat=1328,1326, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 PHE HB- 32 THR HN 3.20 (# 739:10 Unique 2.15, 2.89 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 430, 431,
&end
#
# 122 LYS HA 89 GLY HN 3.30 (# 740:10 Unique 2.41, 2.93 A)
&rst
ixpk= 740, nxpk= 10, iat=1776,1293, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:741 89 GLY HN 4.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1759,1760,1477,1478,1479,
&end
#
# 88 ILE MG2 89 GLY HN 4.30 (# 742:10 Unique 2.47, 3.83 A)
&rst
ixpk= 742, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1280,1281,1282,
&end
#
# 3 ASP HN 32 THR HN 4.50 (# 743:10 Unique 3.88, 4.37 A)
&rst
ixpk= 743, nxpk= 10, iat= 31, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:745 32 THR HN 5.50 (# 745:10 Single Ambig)
&rst
ixpk= 745, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 450, 33,
&end
#
# 3 ASP HB- 32 THR HN 3.30 (# 746:10 Unique 1.95, 2.94 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 35, 36,
&end
#
# 31 PHE HB+ 32 THR HN 3.30 (# 747:10 Unique 2.15, 2.89 A)
&rst
ixpk= 747, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 430, 431,
&end
#
# 32 THR MG2 32 THR HN 3.50 (# 748:10 Unique 3.36, 4.14 A)
&rst
ixpk= 748, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 452, 453, 454,
&end
#
# 31 PHE HA 32 THR HN 2.80 (# 749:10 Unique 2.41, 2.51 A)
&rst
ixpk= 749, nxpk= 10, iat= 428, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 THR HA 32 THR HN 3.30 (# 750:10 Unique 2.90, 2.94 A)
&rst
ixpk= 750, nxpk= 10, iat= 448, 446, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:751 89 GLY HN 5.50 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1796,1274,
&end
#
# 89 GLY HA+ 89 GLY HN 3.20 (# 752:10 Unique 2.44, 2.72 A)
&rst
ixpk= 752, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1295,1296,
&end
#
# 88 ILE HA 89 GLY HN 2.50 (# 753:10 Unique 2.14, 2.16 A)
&rst
ixpk= 753, nxpk= 10, iat=1276,1293, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 89 GLY HA- 89 GLY HN 3.20 (# 754:10 Unique 2.44, 2.72 A)
&rst
ixpk= 754, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1295,1296,
&end
#
# 0 AMB 10-2:755 89 GLY HN 7.00 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1781,1782,1313,1314,1315,1809,1810,1811,
&end
#
# 65 ASN HB+ 65 ASN HD2- 3.50 (# 758:10 Unique 2.20, 3.11 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 921, 922,
igr2= 926, 927,
&end
#
# 0 AMB 10-2:759 65 ASN HD2- 4.50 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 526, 527, 921, 922,
igr2= 926, 927,
&end
#
# 10 SER HN 65 ASN HD2- 3.50 (# 760:10 Unique 2.14, 3.07 A)
&rst
ixpk= 760, nxpk= 10, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 142 TRP HN 143 VAL HN 3.20 (# 761:10 Unique 2.62, 2.78 A)
&rst
ixpk= 761, nxpk= 10, iat=2083,2107, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 141 SER HN 143 VAL HN 4.50 (# 762:10 Unique 4.08, 4.33 A)
&rst
ixpk= 762, nxpk= 10, iat=2072,2107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 ASN HN 143 VAL HN 3.00 (# 763:10 Unique 2.54, 2.61 A)
&rst
ixpk= 763, nxpk= 10, iat=2123,2107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:764 143 VAL HN 5.50 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2048,2076,2077,2076,2077,
&end
#
# 143 VAL HA 143 VAL HN 3.30 (# 765:10 Unique 2.80, 2.83 A)
&rst
ixpk= 765, nxpk= 10, iat=2109,2107, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 142 TRP HB- 143 VAL HN 3.30 (# 766:10 Unique 2.26, 2.94 A)
&rst
ixpk= 766, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2087,2088,
&end
#
# 143 VAL HB 143 VAL HN 3.50 (# 767:10 Unique 3.60, 3.61 A)
&rst
ixpk= 767, nxpk= 10, iat=2111,2107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 TRP HB+ 143 VAL HN 3.30 (# 768:10 Unique 2.26, 2.94 A)
&rst
ixpk= 768, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2087,2088,
&end
#
# 0 AMB 10-2:769 143 VAL HN 2.80 (# 769:10 Single Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 10-2:770 33 THR HN 5.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 386, 387, 386, 387,
&end
#
# 33 THR HA 33 THR HN 3.30 (# 771:10 Unique 2.93, 2.95 A)
&rst
ixpk= 771, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 THR HA 33 THR HN 2.50 (# 772:10 Unique 2.15, 2.19 A)
&rst
ixpk= 772, nxpk= 10, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 32 THR HB 33 THR HN 3.50 (# 773:10 Unique 2.82, 3.20 A)
&rst
ixpk= 773, nxpk= 10, iat= 450, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR MG2 33 THR HN 4.50 (# 774:10 Unique 2.61, 4.34 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 452, 453, 454,
&end
#
# 33 THR MG2 33 THR HN 3.50 (# 775:10 Unique 2.99, 3.85 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 466, 467, 468,
&end
#
# 14 GLY HN 13 GLY HN 4.00 (# 776:10 Unique 1.87, 3.66 A)
&rst
ixpk= 776, nxpk= 10, iat= 183, 176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 LEU HN 13 GLY HN 3.00 (# 777:10 Unique 1.90, 2.61 A)
&rst
ixpk= 777, nxpk= 10, iat= 157, 176, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 THR HN 13 GLY HN 4.20 (# 778:10 Unique 2.71, 3.73 A)
&rst
ixpk= 778, nxpk= 10, iat= 143, 176, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 LEU HA 13 GLY HN 3.80 (# 780:10 Unique 2.38, 3.48 A)
&rst
ixpk= 780, nxpk= 10, iat= 159, 176, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 13 GLY HA+ 13 GLY HN 3.20 (# 781:10 Unique 2.32, 2.77 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 178, 179,
&end
#
# 13 GLY HA- 13 GLY HN 3.20 (# 782:10 Unique 2.32, 2.77 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 178, 179,
&end
#
# 12 LEU HB- 13 GLY HN 3.50 (# 783:10 Unique 1.94, 2.98 A)
&rst
ixpk= 783, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 161, 162,
&end
#
# 0 AMB 10-2:784 13 GLY HN 5.50 (# 784:10 Single Ambig)
&rst
ixpk= 784, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 164, 207, 208, 207, 208,
&end
#
# 50 TRP HN 86 GLY HN 5.00 (# 785:10 Unique 4.24, 4.34 A)
&rst
ixpk= 785, nxpk= 10, iat= 705,1257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 PHE HA 86 GLY HN 2.60 (# 786:10 Unique 2.21, 2.29 A)
&rst
ixpk= 786, nxpk= 10, iat=1239,1257, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:787 86 GLY HN 3.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1259,1260,1241,1242,
&end
#
# 85 PHE HB+ 86 GLY HN 3.80 (# 788:10 Unique 2.36, 3.34 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1241,1242,
&end
#
# 51 LEU MDX 86 GLY HN 5.50 (# 789:10 Unique 2.87, 5.28 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 52 VAL HN 86 GLY HN 3.00 (# 790:10 Unique 2.03, 2.55 A)
&rst
ixpk= 790, nxpk= 10, iat= 748,1257, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 GLY HA+ 86 GLY HN 3.00 (# 792:10 Unique 2.30, 2.62 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1259,1260,
&end
#
# 51 LEU HA 86 GLY HN 2.60 (# 793:10 Unique 2.00, 2.20 A)
&rst
ixpk= 793, nxpk= 10, iat= 731,1257, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 83 VAL MGX 48 GLY HN 5.00 (# 794:10 Unique 2.59, 4.41 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:795 48 GLY HN 3.50 (# 795:10 Single Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 672, 673, 672, 673,
&end
#
# 84 ARG HN 48 GLY HN 4.00 (# 796:10 Unique 2.89, 3.54 A)
&rst
ixpk= 796, nxpk= 10, iat=1213, 679, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 GLY HA- 48 GLY HN 3.20 (# 797:10 Unique 2.55, 2.77 A)
&rst
ixpk= 797, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 681, 682,
&end
#
# 47 SER HA 48 GLY HN 2.50 (# 798:10 Unique 2.14, 2.15 A)
&rst
ixpk= 798, nxpk= 10, iat= 670, 679, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 48 GLY HA+ 48 GLY HN 3.30 (# 799:10 Unique 2.55, 2.77 A)
&rst
ixpk= 799, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 681, 682,
&end
#
# 82 ALA MB 48 GLY HN 5.50 (# 800:10 Unique 3.73, 5.16 A)
&rst
ixpk= 800, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1191,1192,1193,
&end
#
# 83 VAL MGY 48 GLY HN 4.50 (# 801:10 Unique 2.59, 4.41 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 97 THR HB 60 GLY HN 4.00 (# 802:10 Unique 2.04, 3.56 A)
&rst
ixpk= 802, nxpk= 10, iat=1413, 853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 THR HA 60 GLY HN 4.50 (# 803:10 Unique 4.16, 4.45 A)
&rst
ixpk= 803, nxpk= 10, iat= 807, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 GLY HA- 60 GLY HN 3.00 (# 804:10 Unique 2.29, 2.63 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 855, 856,
&end
#
# 56 THR MG2 60 GLY HN 4.50 (# 805:10 Unique 2.33, 3.99 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 811, 812, 813,
&end
#
# 59 ALA HN 60 GLY HN 3.00 (# 806:10 Unique 1.88, 2.57 A)
&rst
ixpk= 806, nxpk= 10, iat= 843, 853, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 ASP HN 60 GLY HN 2.80 (# 807:10 Unique 1.85, 2.45 A)
&rst
ixpk= 807, nxpk= 10, iat= 860, 853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:808 9 GLY HN 5.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 940, 941, 942, 944, 945, 946, 777, 778, 779,
&end
#
# 10 SER HN 9 GLY HN 3.80 (# 809:10 Unique 3.02, 3.27 A)
&rst
ixpk= 809, nxpk= 10, iat= 132, 125, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 8 SER HA 9 GLY HN 2.50 (# 810:10 Unique 2.17, 2.27 A)
&rst
ixpk= 810, nxpk= 10, iat= 116, 125, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 SER HA 9 GLY HN 4.50 (# 811:10 Unique 4.43, 4.51 A)
&rst
ixpk= 811, nxpk= 10, iat= 785, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 GLY HA- 9 GLY HN 3.20 (# 812:10 Unique 2.59, 2.79 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 127, 128,
&end
#
# 8 SER HB+ 9 GLY HN 4.30 (# 813:10 Unique 3.10, 3.78 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 118, 119,
&end
#
# 8 SER HB- 9 GLY HN 4.30 (# 814:10 Unique 3.10, 3.78 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 118, 119,
&end
#
# 9 GLY HA+ 9 GLY HN 3.30 (# 815:10 Unique 2.59, 2.79 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 127, 128,
&end
#
# 145 LEU HA 147 LYS HN 4.50 (# 816:10 Unique 3.71, 4.09 A)
&rst
ixpk= 816, nxpk= 10, iat=2139,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 LYS HA 147 LYS HN 2.80 (# 817:10 Unique 2.27, 2.41 A)
&rst
ixpk= 817, nxpk= 10, iat=2177,2175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU HA 147 LYS HN 3.80 (# 818:10 Unique 3.22, 3.39 A)
&rst
ixpk= 818, nxpk= 10, iat=2158,2175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 147 LYS HB- 147 LYS HN 3.80 (# 819:10 Unique 2.30, 3.47 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2179,2180,
&end
#
# 147 LYS HB+ 147 LYS HN 3.50 (# 820:10 Unique 2.30, 3.47 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2179,2180,
&end
#
# 0 AMB 10-2:821 147 LYS HN 5.50 (# 821:10 Single Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2160,2161,2141,2142,
&end
#
# 146 LEU HG 147 LYS HN 2.80 (# 822:10 Unique 2.12, 2.56 A)
&rst
ixpk= 822, nxpk= 10, iat=2163,2175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 147 LYS HG- 147 LYS HN 3.80 (# 823:10 Unique 2.60, 3.40 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2182,2183,
&end
#
# 68 PRO HD+ 66 LEU HN 4.00 (# 824:10 Unique 2.75, 3.57 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 962, 963,
&end
#
# 0 AMB 10-2:825 103 ASP HN 7.00 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1484,1485,1486,1533,1534,1535,1537,1538,1539,
&end
#
# 104 LYS HN 103 ASP HN 3.30 (# 826:10 Unique 2.65, 2.78 A)
&rst
ixpk= 826, nxpk= 10, iat=1502,1490, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 ILE HN 103 ASP HN 2.50 (# 827:10 Unique 1.87, 2.29 A)
&rst
ixpk= 827, nxpk= 10, iat=1471,1490, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 103 ASP HA 103 ASP HN 3.20 (# 828:10 Unique 2.74, 2.77 A)
&rst
ixpk= 828, nxpk= 10, iat=1492,1490, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:829 103 ASP HN 5.50 (# 829:10 Single Ambig)
&rst
ixpk= 829, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1456,1457,1463,
&end
#
# 103 ASP HB- 103 ASP HN 3.00 (# 830:10 Unique 2.07, 2.59 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:831 103 ASP HN 5.50 (# 831:10 Single Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1481,1482,1509,1510,1509,1510,
&end
#
# 102 ILE MG2 103 ASP HN 3.50 (# 832:10 Unique 1.99, 3.20 A)
&rst
ixpk= 832, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1477,1478,1479,
&end
#
# 80 LEU HB- 114 ALA HN 4.20 (# 833:10 Unique 2.50, 3.73 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1161,1162,
&end
#
# 110 LYS HA 114 ALA HN 3.50 (# 834:10 Unique 2.55, 3.05 A)
&rst
ixpk= 834, nxpk= 10, iat=1604,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:835 114 ALA HN 7.00 (# 835:10 Single Ambig)
&rst
ixpk= 835, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1642,1643,1180,1181,
&end
#
# 80 LEU HB+ 114 ALA HN 4.30 (# 836:10 Unique 2.50, 3.73 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1161,1162,
&end
#
# 102 ILE HA 103 ASP HN 3.80 (# 837:10 Unique 3.42, 3.45 A)
&rst
ixpk= 837, nxpk= 10, iat=1473,1490, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:838 103 ASP HN 5.50 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1506,1507,1531,
&end
#
# 113 GLY HN 114 ALA HN 2.80 (# 839:10 Unique 1.89, 2.44 A)
&rst
ixpk= 839, nxpk= 10, iat=1649,1656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 ALA HA 114 ALA HN 3.30 (# 840:10 Unique 2.75, 2.79 A)
&rst
ixpk= 840, nxpk= 10, iat=1658,1656, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 GLY HA+ 114 ALA HN 3.80 (# 841:10 Unique 2.79, 3.23 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1651,1652,
&end
#
# 113 GLY HA- 114 ALA HN 3.80 (# 842:10 Unique 2.79, 3.23 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1651,1652,
&end
#
# 114 ALA MB 114 ALA HN 3.20 (# 843:10 Unique 2.06, 2.88 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1660,1661,1662,
&end
#
# 80 LEU MDX 114 ALA HN 6.20 (# 845:10 Unique 3.11, 5.75 A)
&rst
ixpk= 845, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 65 ASN HN 66 LEU HN 2.60 (# 846:10 Unique 2.11, 2.27 A)
&rst
ixpk= 846, nxpk= 10, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 67 SER HN 66 LEU HN 2.50 (# 847:10 Unique 1.89, 2.04 A)
&rst
ixpk= 847, nxpk= 10, iat= 950, 931, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 66 LEU HA 66 LEU HN 3.30 (# 848:10 Unique 2.91, 2.94 A)
&rst
ixpk= 848, nxpk= 10, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:849 66 LEU HN 5.50 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 919, 952,
&end
#
# 9 GLY HA+ 66 LEU HN 4.20 (# 850:10 Unique 3.40, 3.81 A)
&rst
ixpk= 850, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 127, 128,
&end
#
# 66 LEU HB- 66 LEU HN 3.30 (# 851:10 Unique 2.20, 2.88 A)
&rst
ixpk= 851, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 935, 936,
&end
#
# 62 ILE MG2 66 LEU HN 5.50 (# 852:10 Unique 3.19, 5.45 A)
&rst
ixpk= 852, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 878, 879, 880,
&end
#
# 66 LEU MDX 66 LEU HN 4.50 (# 853:10 Unique 2.74, 4.36 A)
&rst
ixpk= 853, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 10-2:854 114 ALA HN 7.00 (# 854:10 Single Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1666,1602,
&end
#
# 66 LEU HB+ 66 LEU HN 3.30 (# 855:10 Unique 2.20, 2.88 A)
&rst
ixpk= 855, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 935, 936,
&end
#
# 0 AMB 10-2:856 90 ILE HN 3.50 (# 856:10 Single Ambig)
&rst
ixpk= 856, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1310,1311,1304,
&end
#
# 89 GLY HA+ 90 ILE HN 3.00 (# 857:10 Unique 2.14, 2.65 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1295,1296,
&end
#
# 89 GLY HA- 90 ILE HN 3.00 (# 858:10 Unique 2.14, 2.65 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1295,1296,
&end
#
# 0 AMB 10-2:859 104 LYS HN 5.50 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1456,1457,1456,1457,1463,
&end
#
# 103 ASP HB- 104 LYS HN 3.50 (# 860:10 Unique 2.12, 3.21 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1494,1495,
&end
#
# 104 LYS HD- 104 LYS HN 5.00 (# 861:10 Unique 1.98, 4.49 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1512,1513,
&end
#
# 105 LEU HN 104 LYS HN 3.30 (# 862:10 Unique 2.59, 2.75 A)
&rst
ixpk= 862, nxpk= 10, iat=1524,1502, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 ASP HN 104 LYS HN 3.30 (# 863:10 Unique 2.65, 2.78 A)
&rst
ixpk= 863, nxpk= 10, iat=1490,1502, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 ASP HA 104 LYS HN 4.00 (# 864:10 Unique 3.44, 3.51 A)
&rst
ixpk= 864, nxpk= 10, iat=1492,1502, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 LYS HA 104 LYS HN 3.30 (# 865:10 Unique 2.74, 2.84 A)
&rst
ixpk= 865, nxpk= 10, iat=1504,1502, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 104 LYS HB- 104 LYS HN 3.30 (# 866:10 Unique 2.09, 2.87 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1506,1507,
&end
#
# 0 AMB 10-2:867 104 LYS HN 4.50 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1509,1510,1509,1510,
&end
#
# 0 AMB 10-2:868 101 ALA HN 5.50 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1463,1456,1457,1456,1457,
&end
#
# 0 AMB 10-2:869 101 ALA HN 3.50 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1465,1466,1467, 811, 812, 813,
&end
#
# 44 LEU HA 44 LEU HN 3.30 (# 870:10 Unique 2.94, 2.95 A)
&rst
ixpk= 870, nxpk= 10, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:871 44 LEU HN 5.50 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 617, 618, 617, 618,
&end
#
# 44 LEU HB+ 44 LEU HN 3.30 (# 872:10 Unique 2.32, 2.96 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 629, 630,
&end
#
# 44 LEU HG 44 LEU HN 4.50 (# 873:10 Unique 3.65, 4.24 A)
&rst
ixpk= 873, nxpk= 10, iat= 632, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HB- 44 LEU HN 3.40 (# 874:10 Unique 2.32, 2.96 A)
&rst
ixpk= 874, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 629, 630,
&end
#
# 44 LEU MDX 44 LEU HN 5.40 (# 875:10 Unique 3.00, 4.88 A)
&rst
ixpk= 875, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU MDY 44 LEU HN 4.50 (# 876:10 Unique 3.00, 4.88 A)
&rst
ixpk= 876, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 28 GLU HG- 29 ALA HN 5.50 (# 877:10 Unique 2.22, 4.78 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 401, 402,
&end
#
# 29 ALA HA 29 ALA HN 3.30 (# 878:10 Unique 2.77, 2.78 A)
&rst
ixpk= 878, nxpk= 10, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:879 29 ALA HN 4.50 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 396, 340,
&end
#
# 0 AMB 10-2:880 29 ALA HN 3.50 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 401, 402, 398, 399,
&end
#
# 60 GLY HN 61 ASP HN 2.80 (# 881:10 Unique 1.85, 2.45 A)
&rst
ixpk= 881, nxpk= 10, iat= 853, 860, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:882 61 ASP HN 5.50 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 807,
&end
#
# 56 THR MG2 61 ASP HN 4.80 (# 883:10 Unique 2.27, 4.30 A)
&rst
ixpk= 883, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 811, 812, 813,
&end
#
# 28 GLU HN 29 ALA HN 3.20 (# 884:10 Unique 2.55, 2.71 A)
&rst
ixpk= 884, nxpk= 10, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 30 GLY HN 29 ALA HN 3.20 (# 885:10 Unique 2.69, 2.70 A)
&rst
ixpk= 885, nxpk= 10, iat= 419, 409, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 29 ALA MB 29 ALA HN 2.80 (# 886:10 Unique 2.06, 2.88 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 413, 414, 415,
&end
#
# 61 ASP HA 61 ASP HN 3.20 (# 887:10 Unique 2.28, 2.88 A)
&rst
ixpk= 887, nxpk= 10, iat= 862, 860, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 60 GLY HA- 61 ASP HN 3.80 (# 888:10 Unique 2.14, 3.20 A)
&rst
ixpk= 888, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 855, 856,
&end
#
# 0 AMB 10-2:889 61 ASP HN 3.50 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 864, 865, 864, 865,
&end
#
# 42 GLU HA 43 ASP HN 3.80 (# 891:10 Unique 3.25, 3.33 A)
&rst
ixpk= 891, nxpk= 10, iat= 600, 613, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:892 17 TYR HN 7.00 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 202, 136, 137,
&end
#
# 40 LEU HN 43 ASP HN 4.50 (# 893:10 Unique 3.82, 4.13 A)
&rst
ixpk= 893, nxpk= 10, iat= 560, 613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HN 43 ASP HN 2.50 (# 894:10 Unique 1.88, 2.13 A)
&rst
ixpk= 894, nxpk= 10, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 43 ASP HA 43 ASP HN 3.30 (# 895:10 Unique 2.91, 2.93 A)
&rst
ixpk= 895, nxpk= 10, iat= 615, 613, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:896 43 ASP HN 3.50 (# 896:10 Single Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 617, 618, 617, 618,
&end
#
# 0 AMB 10-2:897 43 ASP HN 5.50 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 602, 603, 602, 603,
&end
#
# 42 GLU HN 43 ASP HN 2.80 (# 898:10 Unique 2.50, 2.54 A)
&rst
ixpk= 898, nxpk= 10, iat= 598, 613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:899 43 ASP HN 5.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 605, 606, 605, 606,
&end
#
# 0 AMB 10-2:900 17 TYR HN 4.50 (# 900:10 Single Ambig)
&rst
ixpk= 900, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 207, 208, 207, 208,
&end
#
# 40 LEU HB+ 43 ASP HN 4.50 (# 901:10 Unique 3.90, 4.34 A)
&rst
ixpk= 901, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 44 LEU HG 43 ASP HN 5.30 (# 902:10 Unique 3.51, 4.73 A)
&rst
ixpk= 902, nxpk= 10, iat= 632, 613, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 VAL HN 17 TYR HN 2.60 (# 903:10 Unique 2.17, 2.27 A)
&rst
ixpk= 903, nxpk= 10, iat= 236, 215, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 16 GLU HN 17 TYR HN 2.60 (# 904:10 Unique 2.26, 2.37 A)
&rst
ixpk= 904, nxpk= 10, iat= 200, 215, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 17 TYR HA 17 TYR HN 3.30 (# 905:10 Unique 2.86, 2.91 A)
&rst
ixpk= 905, nxpk= 10, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:906 17 TYR HN 3.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 219, 220, 219, 220,
&end
#
# 16 GLU HB+ 17 TYR HN 3.50 (# 907:10 Unique 3.18, 3.65 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 16 GLU HB- 17 TYR HN 4.00 (# 908:10 Unique 3.18, 3.65 A)
&rst
ixpk= 908, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 204, 205,
&end
#
# 0 AMB 10-2:909 17 TYR HN 5.50 (# 909:10 Single Ambig)
&rst
ixpk= 909, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 185, 186,
&end
#
# 145 LEU HA 146 LEU HN 4.00 (# 910:10 Unique 3.52, 3.56 A)
&rst
ixpk= 910, nxpk= 10, iat=2139,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU MDY 146 LEU HN 5.00 (# 911:10 Unique 2.96, 4.44 A)
&rst
ixpk= 911, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 145 LEU HN 146 LEU HN 2.80 (# 912:10 Unique 2.28, 2.48 A)
&rst
ixpk= 912, nxpk= 10, iat=2137,2156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU HA 146 LEU HN 3.20 (# 913:10 Unique 2.81, 2.87 A)
&rst
ixpk= 913, nxpk= 10, iat=2158,2156, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 143 VAL HA 146 LEU HN 4.00 (# 914:10 Unique 3.31, 3.64 A)
&rst
ixpk= 914, nxpk= 10, iat=2109,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:915 146 LEU HN 4.50 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2179,2180,2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 10-2:916 146 LEU HN 4.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2141,2142,2160,2161,
&end
#
# 146 LEU HG 146 LEU HN 3.20 (# 917:10 Unique 2.57, 2.83 A)
&rst
ixpk= 917, nxpk= 10, iat=2163,2156, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 146 LEU MDX 146 LEU HN 5.00 (# 918:10 Unique 2.96, 4.44 A)
&rst
ixpk= 918, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 142 TRP HA 145 LEU HN 4.00 (# 919:10 Unique 3.40, 3.54 A)
&rst
ixpk= 919, nxpk= 10, iat=2085,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:920 145 LEU HN 3.50 (# 920:10 Single Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2156,2175,
&end
#
# 144 ASN HN 145 LEU HN 2.80 (# 921:10 Unique 2.42, 2.51 A)
&rst
ixpk= 921, nxpk= 10, iat=2123,2137, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 ASN HA 145 LEU HN 4.00 (# 922:10 Unique 3.43, 3.47 A)
&rst
ixpk= 922, nxpk= 10, iat=2125,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:923 145 LEU HN 5.50 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2127,2128,2127,2128,
&end
#
# 145 LEU MDY 145 LEU HN 3.50 (# 924:10 Unique 2.40, 4.29 A)
&rst
ixpk= 924, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 145 LEU HA 145 LEU HN 3.30 (# 925:10 Unique 2.86, 2.90 A)
&rst
ixpk= 925, nxpk= 10, iat=2139,2137, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 145 LEU HB+ 145 LEU HN 3.30 (# 926:10 Unique 2.13, 2.90 A)
&rst
ixpk= 926, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2141,2142,
&end
#
# 0 AMB 10-2:927 145 LEU HN 3.50 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2146,2147,2148,2150,2151,2152,2144,
&end
#
# 0 AMB 10-2:928 25 LYS HN 4.50 (# 928:10 Single Ambig)
&rst
ixpk= 928, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 296, 315,
&end
#
# 0 AMB 10-2:929 25 LYS HN 4.50 (# 929:10 Single Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 348, 349, 348, 349, 317, 318, 319,
&end
#
# 26 LEU HN 25 LYS HN 3.20 (# 930:10 Unique 2.52, 2.77 A)
&rst
ixpk= 930, nxpk= 10, iat= 360, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 24 GLU HN 25 LYS HN 3.50 (# 931:10 Unique 2.88, 3.02 A)
&rst
ixpk= 931, nxpk= 10, iat= 323, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LYS HA 25 LYS HN 3.20 (# 932:10 Unique 2.76, 2.79 A)
&rst
ixpk= 932, nxpk= 10, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:933 25 LYS HN 5.50 (# 933:10 Single Ambig)
&rst
ixpk= 933, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 383, 384, 383, 384, 301,
&end
#
# 25 LYS HB- 25 LYS HN 3.20 (# 934:10 Unique 2.09, 2.79 A)
&rst
ixpk= 934, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 342, 343,
&end
#
# 25 LYS HB+ 25 LYS HN 3.20 (# 935:10 Unique 2.09, 2.79 A)
&rst
ixpk= 935, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 342, 343,
&end
#
# 25 LYS HG- 25 LYS HN 4.00 (# 936:10 Unique 3.04, 3.47 A)
&rst
ixpk= 936, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 345, 346,
&end
#
# 0 AMB 10-2:937 25 LYS HN 4.50 (# 937:10 Single Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 345, 346, 364, 365,
&end
#
# 95 TYR HA 95 TYR HN 3.30 (# 940:10 Unique 2.76, 2.85 A)
&rst
ixpk= 940, nxpk= 10, iat=1378,1376, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 94 GLU HN 95 TYR HN 2.80 (# 941:10 Unique 1.81, 2.40 A)
&rst
ixpk= 941, nxpk= 10, iat=1361,1376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 ARG HA 95 TYR HN 4.50 (# 942:10 Unique 3.47, 4.00 A)
&rst
ixpk= 942, nxpk= 10, iat=1339,1376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 TYR HB- 95 TYR HN 3.00 (# 943:10 Unique 2.07, 2.69 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1380,1381,
&end
#
# 0 AMB 10-2:944 0 AMB 10-1:944 5.50 (# 944:10 Double Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1363,1456,1457,
igr2=1376,1471,
&end
#
# 0 AMB 10-2:945 0 AMB 10-1:945 3.50 (# 945:10 Double Ambig)
&rst
ixpk= 945, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1365,1366,1509,1510,1509,1510,
igr2=1376,1471,
&end
#
# 103 ASP HN 102 ILE HN 2.60 (# 946:10 Unique 1.87, 2.29 A)
&rst
ixpk= 946, nxpk= 10, iat=1490,1471, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 102 ILE HA 102 ILE HN 3.20 (# 947:10 Unique 2.77, 2.89 A)
&rst
ixpk= 947, nxpk= 10, iat=1473,1471, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 102 ILE HB 102 ILE HN 3.20 (# 948:10 Unique 2.56, 2.80 A)
&rst
ixpk= 948, nxpk= 10, iat=1475,1471, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 102 ILE MG2 102 ILE HN 3.30 (# 949:10 Unique 1.92, 2.88 A)
&rst
ixpk= 949, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1477,1478,1479,
&end
#
# 0 AMB 10-2:950 144 ASN HN 3.50 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2132,2133,2137,
&end
#
# 0 AMB 10-2:951 144 ASN HN 5.50 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2156,2175,
&end
#
# 144 ASN HA 144 ASN HN 3.30 (# 952:10 Unique 2.82, 2.85 A)
&rst
ixpk= 952, nxpk= 10, iat=2125,2123, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:953 144 ASN HN 2.80 (# 953:10 Single Ambig)
&rst
ixpk= 953, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2127,2128,2127,2128,
&end
#
# 143 VAL HB 144 ASN HN 4.00 (# 954:10 Unique 3.59, 3.69 A)
&rst
ixpk= 954, nxpk= 10, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:955 144 ASN HN 5.50 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2146,2147,2148,2150,2151,2152,2179,2180,
&end
#
# 0 AMB 10-2:956 144 ASN HN 3.50 (# 956:10 Single Ambig)
&rst
ixpk= 956, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 101 ALA HN 102 ILE HN 3.00 (# 957:10 Unique 2.12, 2.62 A)
&rst
ixpk= 957, nxpk= 10, iat=1461,1471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HN 144 ASN HN 3.00 (# 958:10 Unique 2.54, 2.61 A)
&rst
ixpk= 958, nxpk= 10, iat=2107,2123, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HA 144 ASN HN 4.00 (# 959:10 Unique 3.50, 3.52 A)
&rst
ixpk= 959, nxpk= 10, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 LEU HG 144 ASN HN 5.50 (# 960:10 Unique 4.52, 5.40 A)
&rst
ixpk= 960, nxpk= 10, iat=2144,2123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:961 24 GLU HN 7.00 (# 961:10 Single Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 294, 360,
&end
#
# 25 LYS HN 24 GLU HN 3.50 (# 962:10 Unique 2.88, 3.02 A)
&rst
ixpk= 962, nxpk= 10, iat= 338, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 HIS HA 24 GLU HN 4.80 (# 963:10 Unique 4.23, 4.34 A)
&rst
ixpk= 963, nxpk= 10, iat= 279, 323, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 24 GLU HG+ 24 GLU HN 4.50 (# 964:10 Unique 2.77, 4.16 A)
&rst
ixpk= 964, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 330, 331,
&end
#
# 24 GLU HB- 24 GLU HN 3.00 (# 965:10 Unique 2.21, 2.61 A)
&rst
ixpk= 965, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 327, 328,
&end
#
# 23 ALA MB 24 GLU HN 3.50 (# 966:10 Unique 2.52, 3.39 A)
&rst
ixpk= 966, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 317, 318, 319,
&end
#
# 23 ALA HN 24 GLU HN 3.20 (# 967:10 Unique 2.81, 2.86 A)
&rst
ixpk= 967, nxpk= 10, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:968 24 GLU HN 3.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 264,
&end
#
# 124 ASN HB+ 124 ASN HD2- 4.00 (# 969:10 Unique 2.19, 3.47 A)
&rst
ixpk= 969, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1819,1820,
igr2=1824,1825,
&end
#
# 0 AMB 10-2:970 124 ASN HD2- 5.50 (# 970:10 Single Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1824,1825,
&end
#
# 124 ASN HB+ 124 ASN HD2+ 4.00 (# 971:10 Unique 2.19, 3.47 A)
&rst
ixpk= 971, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1819,1820,
igr2=1824,1825,
&end
#
# 93 ARG HB- 124 ASN HD2+ 5.30 (# 972:10 Unique 1.98, 4.86 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1341,1342,
igr2=1824,1825,
&end
#
# 93 ARG HB+ 124 ASN HD2+ 5.30 (# 973:10 Unique 1.98, 4.86 A)
&rst
ixpk= 973, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1341,1342,
igr2=1824,1825,
&end
#
# 124 ASN HB- 124 ASN HD2- 4.00 (# 975:10 Unique 2.19, 3.47 A)
&rst
ixpk= 975, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1819,1820,
igr2=1824,1825,
&end
#
# 126 LEU HB+ 124 ASN HD2- 4.00 (# 976:10 Unique 1.96, 3.52 A)
&rst
ixpk= 976, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1852,1853,
igr2=1824,1825,
&end
#
# 93 ARG HB+ 124 ASN HD2- 4.30 (# 977:10 Unique 1.98, 4.86 A)
&rst
ixpk= 977, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1341,1342,
igr2=1824,1825,
&end
#
# 124 ASN HB- 124 ASN HD2+ 4.00 (# 979:10 Unique 2.19, 3.47 A)
&rst
ixpk= 979, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1819,1820,
igr2=1824,1825,
&end
#
# 0 AMB 10-2:980 0 AMB 10-1:980 5.50 (# 980:10 Double Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1824,1825,1824,1825,
&end
#
# 126 LEU HB+ 124 ASN HD2+ 4.00 (# 981:10 Unique 1.96, 3.52 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1852,1853,
igr2=1824,1825,
&end
#
# 75 GLU HN 74 GLN HN 2.80 (# 982:10 Unique 2.27, 2.34 A)
&rst
ixpk= 982, nxpk= 10, iat=1077,1060, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 LEU HN 74 GLN HN 3.30 (# 983:10 Unique 2.69, 2.79 A)
&rst
ixpk= 983, nxpk= 10, iat=1041,1060, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:984 74 GLN HN 3.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1062,1018,
&end
#
# 73 LEU HA 74 GLN HN 4.00 (# 985:10 Unique 3.50, 3.54 A)
&rst
ixpk= 985, nxpk= 10, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:986 74 GLN HN 2.80 (# 986:10 Single Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1067,1068,1064,1065,
&end
#
# 74 GLN HG+ 74 GLN HN 3.00 (# 987:10 Unique 1.89, 2.68 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1067,1068,
&end
#
# 73 LEU HB+ 74 GLN HN 3.50 (# 988:10 Unique 2.43, 3.01 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 13 GLY HA- 16 GLU HN 4.50 (# 989:10 Unique 2.86, 4.14 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 178, 179,
&end
#
# 0 AMB 10-2:990 74 GLN HN 5.50 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1081,1082,1096,1097,
&end
#
# 73 LEU HG 74 GLN HN 5.30 (# 991:10 Unique 4.57, 4.77 A)
&rst
ixpk= 991, nxpk= 10, iat=1048,1060, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 15 ALA HN 16 GLU HN 2.60 (# 992:10 Unique 2.19, 2.27 A)
&rst
ixpk= 992, nxpk= 10, iat= 190, 200, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:993 16 GLU HN 7.00 (# 993:10 Single Ambig)
&rst
ixpk= 993, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 192, 185, 186,
&end
#
# 10 SER HB- 16 GLU HN 4.50 (# 994:10 Unique 3.02, 3.98 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 136, 137,
&end
#
# 0 AMB 10-2:995 16 GLU HN 3.50 (# 995:10 Single Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 207, 208, 207, 208,
&end
#
# 15 ALA MB 16 GLU HN 4.50 (# 996:10 Unique 3.29, 3.94 A)
&rst
ixpk= 996, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 194, 195, 196,
&end
#
# 17 TYR HN 16 GLU HN 2.80 (# 997:10 Unique 2.26, 2.37 A)
&rst
ixpk= 997, nxpk= 10, iat= 215, 200, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:998 16 GLU HN 4.50 (# 998:10 Single Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 202, 136, 137,
&end
#
# 16 GLU HB+ 16 GLU HN 3.50 (# 999:10 Unique 2.12, 3.06 A)
&rst
ixpk= 999, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 16 GLU HB- 16 GLU HN 3.50 (# 1000:10 Unique 2.12, 3.06 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 0 AMB 10-2:1001 112 SER HN 5.50 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1606,1607,1606,1607,
&end
#
# 111 ASN HN 112 SER HN 3.20 (# 1002:10 Unique 2.62, 2.74 A)
&rst
ixpk= 1002, nxpk= 10, iat=1624,1638, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 113 GLY HN 112 SER HN 3.00 (# 1003:10 Unique 2.45, 2.67 A)
&rst
ixpk= 1003, nxpk= 10, iat=1649,1638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 SER HB+ 112 SER HN 3.30 (# 1004:10 Unique 2.07, 2.98 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1642,1643,
&end
#
# 109 LEU HA 112 SER HN 4.50 (# 1005:10 Unique 4.00, 4.22 A)
&rst
ixpk= 1005, nxpk= 10, iat=1585,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1006 112 SER HN 3.50 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1628,1629,1628,1629,
&end
#
# 112 SER HA 112 SER HN 3.30 (# 1008:10 Unique 2.81, 2.85 A)
&rst
ixpk= 1008, nxpk= 10, iat=1640,1638, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:1009 112 SER HN 4.50 (# 1009:10 Single Ambig)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1604,1626,
&end
#
# 112 SER HB- 112 SER HN 3.30 (# 1010:10 Unique 2.07, 2.98 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1642,1643,
&end
#
# 0 AMB 10-2:1011 112 SER HN 5.50 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1166,1167,1168,1170,1171,1172,1592,1593,1594,1596,
1597,1598,
&end
#
# 142 TRP HN 141 SER HN 2.80 (# 1012:10 Unique 2.46, 2.58 A)
&rst
ixpk= 1012, nxpk= 10, iat=2083,2072, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 140 GLY HN 141 SER HN 3.20 (# 1013:10 Unique 2.69, 2.83 A)
&rst
ixpk= 1013, nxpk= 10, iat=2065,2072, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 141 SER HA 141 SER HN 3.20 (# 1014:10 Unique 2.82, 2.84 A)
&rst
ixpk= 1014, nxpk= 10, iat=2074,2072, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 140 GLY HA- 141 SER HN 3.50 (# 1015:10 Unique 2.75, 3.18 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2067,2068,
&end
#
# 0 AMB 10-2:1016 141 SER HN 3.50 (# 1016:10 Single Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2076,2077,2076,2077,
&end
#
# 76 GLN HN 77 LYS HN 2.50 (# 1017:10 Unique 1.98, 2.05 A)
&rst
ixpk= 1017, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 75 GLU HN 77 LYS HN 4.20 (# 1018:10 Unique 3.49, 3.73 A)
&rst
ixpk= 1018, nxpk= 10, iat=1077,1109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 77 LYS HA 77 LYS HN 2.50 (# 1019:10 Unique 2.28, 2.28 A)
&rst
ixpk= 1019, nxpk= 10, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 78 PRO HD- 77 LYS HN 3.50 (# 1020:10 Unique 2.66, 3.12 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 73 LEU HA 77 LYS HN 3.80 (# 1021:10 Unique 3.23, 3.41 A)
&rst
ixpk= 1021, nxpk= 10, iat=1043,1109, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 PRO HD+ 77 LYS HN 3.50 (# 1022:10 Unique 2.66, 3.12 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 76 GLN HB+ 77 LYS HN 3.80 (# 1023:10 Unique 2.66, 3.35 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:1024 77 LYS HN 3.50 (# 1024:10 Single Ambig)
&rst
ixpk= 1024, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1113,1114,1113,1114,
&end
#
# 77 LYS HG+ 77 LYS HN 4.30 (# 1025:10 Unique 4.46, 4.83 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1116,1117,
&end
#
# 76 GLN HB- 77 LYS HN 3.80 (# 1026:10 Unique 2.66, 3.35 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1096,1097,
&end
#
# 141 SER HA 144 ASN HD2+ 6.00 (# 1027:10 Unique 4.22, 5.18 A)
&rst
ixpk= 1027, nxpk= 10, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2132,2133,
&end
#
# 0 AMB 10-2:1028 144 ASN HD2- 3.50 (# 1028:10 Single Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2127,2128,2127,2128,
igr2=2132,2133,
&end
#
# 141 SER HA 144 ASN HD2- 6.00 (# 1030:10 Unique 4.22, 5.18 A)
&rst
ixpk= 1030, nxpk= 10, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2132,2133,
&end
#
# 0 AMB 10-2:1032 0 AMB 10-1:1032 4.50 (# 1032:10 Double Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2127,2128,2127,2128,
igr2=2132,2133,2132,2133,
&end
#
# 108 GLU HA 111 ASN HD2+ 4.20 (# 1034:10 Unique 2.84, 3.71 A)
&rst
ixpk= 1034, nxpk= 10, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1633,1634,
&end
#
# 0 AMB 10-2:1035 0 AMB 10-1:1035 4.50 (# 1035:10 Double Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1628,1629,1628,1629,
igr2=1633,1634,1633,1634,
&end
#
# 107 ALA MB 111 ASN HD2+ 7.00 (# 1036:10 Unique 4.72, 6.43 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1562,1563,1564,
igr2=1633,1634,
&end
#
# 76 GLN HG+ 76 GLN HE2+ 3.80 (# 1037:10 Unique 2.12, 3.26 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1099,1100,
igr2=1104,1105,
&end
#
# 72 ALA MB 76 GLN HE2+ 4.50 (# 1038:10 Unique 2.47, 4.38 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1035,1036,1037,
igr2=1104,1105,
&end
#
# 41 LEU MDX 76 GLN HE2+ 5.00 (# 1039:10 Unique 1.95, 4.42 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1104,1105,
&end
#
# 38 GLY HA+ 65 ASN HD2+ 4.30 (# 1041:10 Unique 2.76, 3.73 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 541, 542,
igr2= 926, 927,
&end
#
# 65 ASN HB+ 65 ASN HD2+ 3.50 (# 1042:10 Unique 2.20, 3.11 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 921, 922,
igr2= 926, 927,
&end
#
# 38 GLY HA- 65 ASN HD2+ 4.30 (# 1043:10 Unique 2.76, 3.73 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 541, 542,
igr2= 926, 927,
&end
#
# 0 AMB 10-2:1044 0 AMB 10-1:1044 4.50 (# 1044:10 Double Ambig)
&rst
ixpk= 1044, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 526, 527, 921, 922,
igr2= 926, 927, 926, 927,
&end
#
# 10 SER HN 65 ASN HD2+ 3.50 (# 1045:10 Unique 2.14, 3.07 A)
&rst
ixpk= 1045, nxpk= 10, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 0 AMB 10-2:1046 74 GLN HE2- 5.50 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1064,1065,1067,1068,
igr2=1072,1073,
&end
#
# 74 GLN HG+ 74 GLN HE2+ 4.00 (# 1048:10 Unique 2.50, 3.50 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1067,1068,
igr2=1072,1073,
&end
#
# 74 GLN HG+ 74 GLN HE2- 4.00 (# 1050:10 Unique 2.50, 3.50 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1067,1068,
igr2=1072,1073,
&end
#
# 0 AMB 10-2:1051 0 AMB 10-1:1051 5.50 (# 1051:10 Double Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1064,1065,1067,1068,
igr2=1072,1073,1072,1073,
&end
#
# 55 SER HA 56 THR HN 2.80 (# 1052:10 Unique 2.14, 2.31 A)
&rst
ixpk= 1052, nxpk= 10, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1053 56 THR HN 5.50 (# 1053:10 Single Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 809, 892, 893,
&end
#
# 0 AMB 10-2:1055 56 THR HN 3.50 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 798, 799, 798, 799,
&end
#
# 87 ALA MB 116 GLN HE2+ 4.50 (# 1057:10 Unique 1.94, 4.01 A)
&rst
ixpk= 1057, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1268,1269,1270,
igr2=1700,1701,
&end
#
# 119 GLU HA 116 GLN HE2- 4.80 (# 1059:10 Unique 3.14, 4.36 A)
&rst
ixpk= 1059, nxpk= 10, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1700,1701,
&end
#
# 0 AMB 10-2:1060 0 AMB 10-1:1060 5.50 (# 1060:10 Double Ambig)
&rst
ixpk= 1060, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1741,1257,
igr2=1700,1701,1700,1701,
&end
#
# 116 GLN HG- 116 GLN HE2+ 3.50 (# 1062:10 Unique 2.12, 3.11 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 116 GLN HG+ 116 GLN HE2+ 3.50 (# 1063:10 Unique 2.12, 3.11 A)
&rst
ixpk= 1063, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 0 AMB 10-2:1064 116 GLN HE2- 5.50 (# 1064:10 Single Ambig)
&rst
ixpk= 1064, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1741,1257,
igr2=1700,1701,
&end
#
# 120 THR HA 116 GLN HE2- 3.80 (# 1065:10 Unique 1.96, 3.33 A)
&rst
ixpk= 1065, nxpk= 10, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1700,1701,
&end
#
# 116 GLN HG- 116 GLN HE2- 3.50 (# 1066:10 Unique 2.12, 3.11 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 116 GLN HG+ 116 GLN HE2- 3.50 (# 1067:10 Unique 2.12, 3.11 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 87 ALA MB 116 GLN HE2- 4.50 (# 1068:10 Unique 1.94, 4.01 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1268,1269,1270,
igr2=1700,1701,
&end
#
# 119 GLU HA 116 GLN HE2+ 4.80 (# 1069:10 Unique 3.14, 4.36 A)
&rst
ixpk= 1069, nxpk= 10, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1700,1701,
&end
#
# 57 HIS HA 58 GLY HN 3.80 (# 1070:10 Unique 2.25, 3.26 A)
&rst
ixpk= 1070, nxpk= 10, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 GLY HA- 58 GLY HN 3.20 (# 1071:10 Unique 2.30, 2.72 A)
&rst
ixpk= 1071, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 838, 839,
&end
#
# 0 AMB 10-2:1072 58 GLY HN 3.50 (# 1072:10 Single Ambig)
&rst
ixpk= 1072, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 809, 838, 839,
&end
#
# 0 AMB 10-2:1073 58 GLY HN 4.50 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 864, 865, 864, 865, 823, 824,
&end
#
# 57 HIS HB+ 58 GLY HN 4.30 (# 1074:10 Unique 2.03, 3.68 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 823, 824,
&end
#
# 0 AMB 10-2:1075 87 ALA HN 7.00 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 738, 739, 740, 742, 743, 744,1287,1288,1289,
&end
#
# 116 GLN HE2- 87 ALA HN 4.00 (# 1076:10 Unique 1.86, 3.33 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1700,1701,
&end
#
# 120 THR HA 87 ALA HN 5.00 (# 1078:10 Unique 3.67, 4.34 A)
&rst
ixpk= 1078, nxpk= 10, iat=1743,1264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 GLY HA- 87 ALA HN 3.00 (# 1079:10 Unique 2.14, 2.63 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1259,1260,
&end
#
# 87 ALA MB 87 ALA HN 3.50 (# 1080:10 Unique 2.13, 3.45 A)
&rst
ixpk= 1080, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1268,1269,1270,
&end
#
# 86 GLY HA+ 87 ALA HN 3.00 (# 1082:10 Unique 2.14, 2.63 A)
&rst
ixpk= 1082, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1259,1260,
&end
#
# 87 ALA HA 87 ALA HN 3.30 (# 1083:10 Unique 2.77, 2.81 A)
&rst
ixpk= 1083, nxpk= 10, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 GLU HG+ 107 ALA HN 3.50 (# 1084:10 Unique 2.03, 3.19 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1550,1551,
&end
#
# 106 GLU HN 107 ALA HN 2.80 (# 1085:10 Unique 2.20, 2.43 A)
&rst
ixpk= 1085, nxpk= 10, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 LEU HN 107 ALA HN 4.50 (# 1086:10 Unique 3.78, 4.19 A)
&rst
ixpk= 1086, nxpk= 10, iat=1583,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLU HN 107 ALA HN 3.30 (# 1087:10 Unique 2.79, 2.94 A)
&rst
ixpk= 1087, nxpk= 10, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:1088 107 ALA HN 3.50 (# 1088:10 Single Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1504,
&end
#
# 0 AMB 10-2:1089 107 ALA HN 3.50 (# 1089:10 Single Ambig)
&rst
ixpk= 1089, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1547,1548,1547,1548,
&end
#
# 107 ALA MB 107 ALA HN 2.80 (# 1090:10 Unique 2.08, 2.88 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1562,1563,1564,
&end
#
# 106 GLU HA 107 ALA HN 4.00 (# 1091:10 Unique 3.51, 3.54 A)
&rst
ixpk= 1091, nxpk= 10, iat=1545,1558, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 GLU HA 111 ASN HD2- 4.30 (# 1093:10 Unique 2.84, 3.71 A)
&rst
ixpk= 1093, nxpk= 10, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1633,1634,
&end
#
# 0 AMB 10-2:1094 111 ASN HD2- 3.50 (# 1094:10 Single Ambig)
&rst
ixpk= 1094, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1628,1629,1628,1629,
igr2=1633,1634,
&end
#
# 47 SER HA 47 SER HN 3.20 (# 1095:10 Unique 2.78, 2.79 A)
&rst
ixpk= 1095, nxpk= 10, iat= 670, 668, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 45 PRO HB- 47 SER HN 4.00 (# 1096:10 Unique 2.36, 3.59 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 651, 652,
&end
#
# 83 VAL MGY 47 SER HN 4.30 (# 1097:10 Unique 2.20, 3.98 A)
&rst
ixpk= 1097, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HE1 47 SER HN 4.20 (# 1098:10 Unique 3.38, 3.74 A)
&rst
ixpk= 1098, nxpk= 10, iat= 715, 668, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 ALA HN 47 SER HN 3.00 (# 1099:10 Unique 2.21, 2.69 A)
&rst
ixpk= 1099, nxpk= 10, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1100 47 SER HN 5.50 (# 1100:10 Single Ambig)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197, 686,
&end
#
# 0 AMB 10-2:1101 47 SER HN 5.50 (# 1101:10 Single Ambig)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 681, 682, 654,
&end
#
# 46 ALA HA 47 SER HN 3.20 (# 1102:10 Unique 2.73, 2.79 A)
&rst
ixpk= 1102, nxpk= 10, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:1103 47 SER HN 4.50 (# 1103:10 Single Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 672, 673, 672, 673,
&end
#
# 46 ALA MB 47 SER HN 4.50 (# 1104:10 Unique 4.07, 4.44 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 662, 663, 664,
&end
#
# 0 AMB 10-2:1105 30 GLY HN 3.50 (# 1105:10 Single Ambig)
&rst
ixpk= 1105, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 421, 422, 396,
&end
#
# 33 THR HA 3 ASP HN 4.30 (# 1106:10 Unique 3.58, 3.89 A)
&rst
ixpk= 1106, nxpk= 10, iat= 462, 31, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 THR HN 4 ILE HN 4.50 (# 1107:10 Unique 3.81, 4.04 A)
&rst
ixpk= 1107, nxpk= 10, iat= 446, 43, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HB 4 ILE HN 5.50 (# 1108:10 Unique 5.53, 5.55 A)
&rst
ixpk= 1108, nxpk= 10, iat= 66, 43, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HN 5 THR HN 6.00 (# 1109:10 Unique 5.05, 5.45 A)
&rst
ixpk= 1109, nxpk= 10, iat= 729, 62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE HN 5 THR HN 4.00 (# 1110:10 Unique 3.41, 3.56 A)
&rst
ixpk= 1110, nxpk= 10, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1111 5 THR HN 7.00 (# 1111:10 Single Ambig)
&rst
ixpk= 1111, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 53, 54, 80, 81,
&end
#
# 0 AMB 10-2:1112 5 THR HN 7.00 (# 1112:10 Single Ambig)
&rst
ixpk= 1112, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 690, 648, 649,
&end
#
# 0 AMB 10-2:1114 5 THR HN 5.50 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 68, 69, 70, 696, 697,
&end
#
# 36 LEU HN 6 LEU HN 5.00 (# 1115:10 Unique 4.07, 4.55 A)
&rst
ixpk= 1115, nxpk= 10, iat= 503, 76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE HN 6 LEU HN 5.00 (# 1116:10 Unique 4.53, 4.55 A)
&rst
ixpk= 1116, nxpk= 10, iat= 95, 76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 GLY HA+ 8 SER HN 6.00 (# 1118:10 Unique 5.32, 5.53 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 127, 128,
&end
#
# 7 ILE HG1- 8 SER HN 5.20 (# 1120:10 Unique 4.18, 4.71 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 105, 106,
&end
#
# 15 ALA MB 9 GLY HN 5.00 (# 1121:10 Unique 2.95, 4.67 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 194, 195, 196,
&end
#
# 0 AMB 10-2:1122 10 SER HN 7.00 (# 1122:10 Single Ambig)
&rst
ixpk= 1122, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 940, 941, 942, 944, 945, 946, 940, 941, 942, 944,
945, 946,1313,1314,1315,
&end
#
# 11 THR MG2 11 THR HN 5.00 (# 1123:10 Unique 2.06, 4.31 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 149, 150, 151,
&end
#
# 10 SER HB+ 11 THR HN 3.80 (# 1124:10 Unique 2.20, 3.26 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 136, 137,
&end
#
# 63 PRO HB- 11 THR HN 4.50 (# 1125:10 Unique 2.56, 4.17 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 898, 899,
&end
#
# 14 GLY HN 12 LEU HN 7.00 (# 1126:10 Unique 4.07, 5.98 A)
&rst
ixpk= 1126, nxpk= 10, iat= 183, 157, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LEU MDY 12 LEU HN 4.80 (# 1127:10 Unique 2.62, 4.24 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 13 GLY HA+ 14 GLY HN 3.30 (# 1128:10 Unique 2.16, 2.79 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 178, 179,
&end
#
# 10 SER HB+ 15 ALA HN 4.30 (# 1129:10 Unique 2.69, 3.74 A)
&rst
ixpk= 1129, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 136, 137,
&end
#
# 13 GLY HA+ 16 GLU HN 4.50 (# 1130:10 Unique 2.86, 4.14 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 178, 179,
&end
#
# 13 GLY HN 16 GLU HN 5.30 (# 1132:10 Unique 3.47, 4.78 A)
&rst
ixpk= 1132, nxpk= 10, iat= 176, 200, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 14 GLY HN 16 GLU HN 3.80 (# 1133:10 Unique 2.84, 3.36 A)
&rst
ixpk= 1133, nxpk= 10, iat= 183, 200, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 17 TYR HB+ 18 VAL HN 3.80 (# 1135:10 Unique 2.45, 3.22 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 219, 220,
&end
#
# 21 HIS HB+ 20 GLU HN 5.30 (# 1136:10 Unique 4.28, 4.88 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 281, 282,
&end
#
# 0 AMB 10-2:1137 20 GLU HN 7.00 (# 1137:10 Single Ambig)
&rst
ixpk= 1137, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 242, 243, 244, 246, 247, 248, 777, 778, 779, 303,
304, 305, 307, 308, 309,
&end
#
# 0 AMB 10-2:1138 21 HIS HN 7.00 (# 1138:10 Single Ambig)
&rst
ixpk= 1138, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 242, 243, 244, 246, 247, 248, 303, 304, 305, 307,
308, 309, 777, 778, 779,
&end
#
# 0 AMB 10-2:1139 21 HIS HN 3.50 (# 1139:10 Single Ambig)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267, 266, 267,
&end
#
# 21 HIS HA 22 LEU HN 3.80 (# 1140:10 Unique 3.48, 3.51 A)
&rst
ixpk= 1140, nxpk= 10, iat= 279, 294, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 23 ALA MB 22 LEU HN 5.50 (# 1141:10 Unique 4.08, 5.04 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 25 LYS HB- 24 GLU HN 6.00 (# 1142:10 Unique 4.68, 5.52 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 342, 343,
&end
#
# 0 AMB 10-2:1143 24 GLU HN 7.00 (# 1143:10 Single Ambig)
&rst
ixpk= 1143, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 466, 467, 468, 298, 299,
&end
#
# 0 AMB 10-2:1144 24 GLU HN 7.00 (# 1144:10 Single Ambig)
&rst
ixpk= 1144, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 369, 370, 371, 373, 374, 375, 85, 86, 87, 89,
90, 91, 85, 86, 87, 89, 90, 91,
&end
#
# 22 LEU MDY 25 LYS HN 7.00 (# 1145:10 Unique 5.39, 7.41 A)
&rst
ixpk= 1145, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 10-2:1146 25 LYS HN 4.50 (# 1146:10 Single Ambig)
&rst
ixpk= 1146, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 327, 328, 330, 331,
&end
#
# 0 AMB 10-2:1147 26 LEU HN 7.00 (# 1147:10 Single Ambig)
&rst
ixpk= 1147, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 386, 387, 386, 387, 430, 431,
&end
#
# 25 LYS HB+ 26 LEU HN 3.50 (# 1148:10 Unique 2.67, 3.03 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 342, 343,
&end
#
# 26 LEU MDY 26 LEU HN 4.50 (# 1149:10 Unique 2.61, 4.19 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 26 LEU MDX 27 GLU HN 6.00 (# 1151:10 Unique 4.28, 5.56 A)
&rst
ixpk= 1151, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 26 LEU HB- 27 GLU HN 3.50 (# 1152:10 Unique 2.26, 3.11 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 364, 365,
&end
#
# 0 AMB 10-2:1153 28 GLU HN 7.00 (# 1153:10 Single Ambig)
&rst
ixpk= 1153, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 364, 365, 466, 467, 468, 345, 346,
&end
#
# 0 AMB 10-2:1154 28 GLU HN 7.00 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 348, 349, 348, 349,
&end
#
# 28 GLU HB+ 29 ALA HN 3.50 (# 1155:10 Unique 2.84, 3.24 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 399,
&end
#
# 29 ALA HN 30 GLY HN 3.20 (# 1156:10 Unique 2.69, 2.70 A)
&rst
ixpk= 1156, nxpk= 10, iat= 409, 419, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 PHE HN 30 GLY HN 2.20 (# 1157:10 Unique 1.81, 1.86 A)
&rst
ixpk= 1157, nxpk= 10, iat= 426, 419, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 27 GLU HA 30 GLY HN 4.00 (# 1158:10 Unique 3.59, 3.68 A)
&rst
ixpk= 1158, nxpk= 10, iat= 381, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HA 30 GLY HN 4.00 (# 1159:10 Unique 3.43, 3.44 A)
&rst
ixpk= 1159, nxpk= 10, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HA- 30 GLY HN 3.20 (# 1160:10 Unique 2.49, 2.74 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 421, 422,
&end
#
# 29 ALA MB 30 GLY HN 4.30 (# 1161:10 Unique 3.04, 3.78 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 413, 414, 415,
&end
#
# 33 THR MG2 32 THR HN 6.00 (# 1162:10 Unique 4.14, 5.50 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 466, 467, 468,
&end
#
# 4 ILE HN 32 THR HN 4.50 (# 1163:10 Unique 3.81, 4.04 A)
&rst
ixpk= 1163, nxpk= 10, iat= 43, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HB 33 THR HN 4.20 (# 1164:10 Unique 3.56, 3.75 A)
&rst
ixpk= 1164, nxpk= 10, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 THR HN 33 THR HN 5.00 (# 1165:10 Unique 4.33, 4.43 A)
&rst
ixpk= 1165, nxpk= 10, iat= 446, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 THR MG2 34 GLU HN 3.50 (# 1166:10 Unique 3.48, 4.34 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 466, 467, 468,
&end
#
# 36 LEU HG 35 THR HN 6.00 (# 1167:10 Unique 4.61, 5.01 A)
&rst
ixpk= 1167, nxpk= 10, iat= 510, 489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLU HG+ 35 THR HN 4.20 (# 1168:10 Unique 2.98, 3.81 A)
&rst
ixpk= 1168, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 481, 482,
&end
#
# 36 LEU HN 35 THR HN 4.00 (# 1170:10 Unique 4.09, 4.47 A)
&rst
ixpk= 1170, nxpk= 10, iat= 503, 489, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 HIS HB+ 37 HIS HN 3.30 (# 1171:10 Unique 2.12, 2.86 A)
&rst
ixpk= 1171, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 526, 527,
&end
#
# 36 LEU HG 37 HIS HN 5.00 (# 1172:10 Unique 4.19, 4.60 A)
&rst
ixpk= 1172, nxpk= 10, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE MG2 38 GLY HN 5.50 (# 1173:10 Unique 3.76, 5.04 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:1174 38 GLY HN 7.00 (# 1174:10 Single Ambig)
&rst
ixpk= 1174, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 935, 936, 895, 896, 510,
&end
#
# 9 GLY HA- 38 GLY HN 4.80 (# 1175:10 Unique 3.34, 4.24 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 127, 128,
&end
#
# 0 AMB 10-2:1177 41 LEU HN 7.00 (# 1177:10 Single Ambig)
&rst
ixpk= 1177, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 602, 603, 602, 603, 968, 969,1096,1097,
&end
#
# 40 LEU HN 41 LEU HN 5.00 (# 1178:10 Unique 4.42, 4.49 A)
&rst
ixpk= 1178, nxpk= 10, iat= 560, 579, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 LEU HB+ 42 GLU HN 4.00 (# 1179:10 Unique 3.01, 3.57 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 583, 584,
&end
#
# 0 AMB 10-2:1180 42 GLU HN 7.00 (# 1180:10 Single Ambig)
&rst
ixpk= 1180, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 562, 615,
&end
#
# 43 ASP HN 44 LEU HN 2.50 (# 1181:10 Unique 1.88, 2.13 A)
&rst
ixpk= 1181, nxpk= 10, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 10-2:1182 44 LEU HN 7.00 (# 1182:10 Single Ambig)
&rst
ixpk= 1182, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 598, 579,
&end
#
# 42 GLU HA 44 LEU HN 4.50 (# 1183:10 Unique 4.04, 4.13 A)
&rst
ixpk= 1183, nxpk= 10, iat= 600, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL MGY 46 ALA HN 7.00 (# 1184:10 Unique 4.25, 5.99 A)
&rst
ixpk= 1184, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 45 PRO HB+ 47 SER HN 4.40 (# 1185:10 Unique 2.36, 3.59 A)
&rst
ixpk= 1185, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 651, 652,
&end
#
# 47 SER HN 48 GLY HN 4.30 (# 1186:10 Unique 3.65, 3.86 A)
&rst
ixpk= 1186, nxpk= 10, iat= 668, 679, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 83 VAL HA 48 GLY HN 3.00 (# 1187:10 Unique 2.11, 2.46 A)
&rst
ixpk= 1187, nxpk= 10, iat=1199, 679, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1188 48 GLY HN 7.00 (# 1188:10 Single Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1217,1218, 696, 697,1201,
&end
#
# 50 TRP HN 49 ILE HN 4.50 (# 1189:10 Unique 3.97, 4.18 A)
&rst
ixpk= 1189, nxpk= 10, iat= 705, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 49 ILE HN 5.30 (# 1190:10 Unique 4.71, 4.87 A)
&rst
ixpk= 1190, nxpk= 10, iat= 62, 686, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 84 ARG HN 50 TRP HN 4.50 (# 1192:10 Unique 3.49, 4.14 A)
&rst
ixpk= 1192, nxpk= 10, iat=1213, 705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HB+ 50 TRP HN 3.80 (# 1193:10 Unique 2.79, 3.42 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 709, 710,
&end
#
# 85 PHE HB+ 50 TRP HN 4.80 (# 1194:10 Unique 2.99, 4.20 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1241,1242,
&end
#
# 0 AMB 10-2:1195 50 TRP HN 5.50 (# 1195:10 Single Ambig)
&rst
ixpk= 1195, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1217,1218, 696, 697,
&end
#
# 0 AMB 10-2:1196 50 TRP HN 5.50 (# 1196:10 Single Ambig)
&rst
ixpk= 1196, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 696, 697,1711,1712,1713, 699, 700, 701, 68, 69,
70,
&end
#
# 0 AMB 10-2:1198 51 LEU HN 7.00 (# 1198:10 Single Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 754, 755, 756, 758, 759, 760, 512, 513, 514, 516,
517, 518,
&end
#
# 51 LEU MDX 51 LEU HN 5.50 (# 1199:10 Unique 4.47, 5.41 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:1200 51 LEU HN 7.00 (# 1200:10 Single Ambig)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 738, 739, 740, 742, 743, 744, 512, 513, 514, 516,
517, 518,
&end
#
# 88 ILE HN 52 VAL HN 5.20 (# 1201:10 Unique 4.50, 4.71 A)
&rst
ixpk= 1201, nxpk= 10, iat=1274, 748, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 51 LEU HB- 52 VAL HN 5.00 (# 1202:10 Unique 4.22, 4.43 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:1203 52 VAL HN 7.00 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 49, 50, 51,1747,1748,1749,
&end
#
# 51 LEU MDY 52 VAL HN 5.30 (# 1204:10 Unique 2.55, 4.91 A)
&rst
ixpk= 1204, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 9 GLY HN 53 ILE HN 4.80 (# 1205:10 Unique 3.99, 4.24 A)
&rst
ixpk= 1205, nxpk= 10, iat= 125, 764, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 SER HN 53 ILE HN 4.50 (# 1206:10 Unique 4.03, 4.08 A)
&rst
ixpk= 1206, nxpk= 10, iat= 783, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE MG2 53 ILE HN 4.30 (# 1207:10 Unique 2.47, 3.85 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 101, 102, 103,
&end
#
# 66 LEU MDY 53 ILE HN 4.30 (# 1208:10 Unique 2.22, 3.81 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 0 AMB 10-2:1209 53 ILE HN 3.50 (# 1209:10 Single Ambig)
&rst
ixpk= 1209, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 940, 941, 942, 944, 945, 946, 777, 778, 779, 774,
775,
&end
#
# 88 ILE HN 54 SER HN 4.20 (# 1210:10 Unique 3.40, 3.71 A)
&rst
ixpk= 1210, nxpk= 10, iat=1274, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 ILE HN 54 SER HN 4.50 (# 1211:10 Unique 4.03, 4.08 A)
&rst
ixpk= 1211, nxpk= 10, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HN 54 SER HN 5.20 (# 1212:10 Unique 3.82, 4.76 A)
&rst
ixpk= 1212, nxpk= 10, iat=1300, 783, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 10-2:1213 54 SER HN 7.00 (# 1213:10 Single Ambig)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1475, 194, 195, 196,
&end
#
# 0 AMB 10-2:1214 55 SER HN 7.00 (# 1214:10 Single Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 783, 872,
&end
#
# 67 SER HB- 55 SER HN 7.00 (# 1216:10 Unique 6.26, 6.88 A)
&rst
ixpk= 1216, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 954, 955,
&end
#
# 54 SER HB+ 55 SER HN 4.00 (# 1217:10 Unique 2.39, 3.24 A)
&rst
ixpk= 1217, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 787, 788,
&end
#
# 0 AMB 10-2:1218 55 SER HN 5.50 (# 1218:10 Single Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 892, 893, 787, 788,
&end
#
# 63 PRO HD- 55 SER HN 2.80 (# 1219:10 Unique 1.89, 2.23 A)
&rst
ixpk= 1219, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 892, 893,
&end
#
# 63 PRO HG- 55 SER HN 3.30 (# 1220:10 Unique 1.91, 2.95 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 895, 896,
&end
#
# 0 AMB 10-2:1221 55 SER HN 7.00 (# 1221:10 Single Ambig)
&rst
ixpk= 1221, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 940, 941, 942, 944, 945, 946, 940, 941, 942, 944,
945, 946,1313,1314,1315,
&end
#
# 56 THR HA 56 THR HN 3.30 (# 1223:10 Unique 2.84, 2.91 A)
&rst
ixpk= 1223, nxpk= 10, iat= 807, 805, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:1224 56 THR HN 5.50 (# 1224:10 Single Ambig)
&rst
ixpk= 1224, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1310,1311,1304,
&end
#
# 97 THR HN 58 GLY HN 7.00 (# 1225:10 Unique 4.04, 5.73 A)
&rst
ixpk= 1225, nxpk= 10, iat=1409, 836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1226 60 GLY HN 3.50 (# 1226:10 Single Ambig)
&rst
ixpk= 1226, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 845, 838, 839,
&end
#
# 0 AMB 10-2:1227 60 GLY HN 3.50 (# 1227:10 Single Ambig)
&rst
ixpk= 1227, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 855, 856, 838, 839,
&end
#
# 59 ALA MB 60 GLY HN 5.00 (# 1228:10 Unique 3.01, 4.26 A)
&rst
ixpk= 1228, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 847, 848, 849,
&end
#
# 101 ALA HA 62 ILE HN 6.00 (# 1229:10 Unique 4.36, 5.16 A)
&rst
ixpk= 1229, nxpk= 10, iat=1463, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 HIS HB+ 64 ASP HN 7.00 (# 1231:10 Unique 7.02, 7.80 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 823, 824,
&end
#
# 63 PRO HG- 64 ASP HN 6.00 (# 1232:10 Unique 3.65, 4.75 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 895, 896,
&end
#
# 64 ASP HB- 65 ASN HN 4.50 (# 1233:10 Unique 3.43, 4.15 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 66 LEU HG 66 LEU HN 5.00 (# 1234:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1234, nxpk= 10, iat= 938, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1235 66 LEU HN 7.00 (# 1235:10 Single Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 954, 955, 954, 955,
&end
#
# 64 ASP HA 66 LEU HN 5.00 (# 1236:10 Unique 4.36, 4.56 A)
&rst
ixpk= 1236, nxpk= 10, iat= 907, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 PRO HD+ 66 LEU HN 4.00 (# 1237:10 Unique 2.75, 3.57 A)
&rst
ixpk= 1237, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 962, 963,
&end
#
# 66 LEU HN 67 SER HN 2.50 (# 1238:10 Unique 1.89, 2.04 A)
&rst
ixpk= 1238, nxpk= 10, iat= 931, 950, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 67 SER HA 67 SER HN 3.20 (# 1239:10 Unique 2.73, 2.75 A)
&rst
ixpk= 1239, nxpk= 10, iat= 952, 950, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 68 PRO HD+ 67 SER HN 2.80 (# 1240:10 Unique 1.88, 2.54 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 962, 963,
&end
#
# 0 AMB 10-2:1241 67 SER HN 3.50 (# 1241:10 Single Ambig)
&rst
ixpk= 1241, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 954, 955, 954, 955,
&end
#
# 68 PRO HD- 67 SER HN 4.50 (# 1243:10 Unique 1.88, 2.54 A)
&rst
ixpk= 1243, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 962, 963,
&end
#
# 66 LEU HB- 67 SER HN 5.50 (# 1244:10 Unique 3.01, 3.33 A)
&rst
ixpk= 1244, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 935, 936,
&end
#
# 0 AMB 10-2:1245 67 SER HN 5.50 (# 1245:10 Single Ambig)
&rst
ixpk= 1245, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 965, 966,1528,1529,
&end
#
# 62 ILE MG2 67 SER HN 5.00 (# 1246:10 Unique 2.38, 4.68 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 878, 879, 880,
&end
#
# 0 AMB 10-2:1247 67 SER HN 7.00 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 895, 896, 935, 936,
&end
#
# 66 LEU HA 67 SER HN 4.00 (# 1248:10 Unique 3.37, 3.47 A)
&rst
ixpk= 1248, nxpk= 10, iat= 933, 950, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 SER HB+ 67 SER HN 3.00 (# 1249:10 Unique 2.16, 2.55 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 954, 955,
&end
#
# 66 LEU HA 69 PHE HN 3.80 (# 1250:10 Unique 3.05, 3.27 A)
&rst
ixpk= 1250, nxpk= 10, iat= 933, 975, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 70 TYR HB+ 71 GLU HN 3.50 (# 1251:10 Unique 2.05, 3.12 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 72 ALA MB 71 GLU HN 6.00 (# 1252:10 Unique 4.66, 5.60 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1035,1036,1037,
&end
#
# 41 LEU MDX 72 ALA HN 7.00 (# 1253:10 Unique 5.11, 7.69 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 75 GLU HN 73 LEU HN 4.30 (# 1254:10 Unique 3.68, 3.81 A)
&rst
ixpk= 1254, nxpk= 10, iat=1077,1041, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 GLN HN 74 GLN HN 4.50 (# 1255:10 Unique 3.83, 4.17 A)
&rst
ixpk= 1255, nxpk= 10, iat=1092,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1256 74 GLN HN 7.00 (# 1256:10 Single Ambig)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1575,1576,1575,1576,
&end
#
# 73 LEU HB- 74 GLN HN 3.50 (# 1257:10 Unique 2.43, 3.01 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 74 GLN HB+ 74 GLN HN 3.50 (# 1258:10 Unique 2.45, 3.13 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1064,1065,
&end
#
# 0 AMB 10-2:1259 74 GLN HN 7.00 (# 1259:10 Single Ambig)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1035,1036,1037,1590,
&end
#
# 73 LEU MDX 74 GLN HN 6.00 (# 1260:10 Unique 4.57, 5.65 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU MDY 74 GLN HN 6.00 (# 1261:10 Unique 4.57, 5.65 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HN 75 GLU HN 4.30 (# 1262:10 Unique 3.68, 3.81 A)
&rst
ixpk= 1262, nxpk= 10, iat=1041,1077, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 GLN HG- 75 GLU HN 3.30 (# 1263:10 Unique 2.43, 2.95 A)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1067,1068,
&end
#
# 75 GLU HB- 75 GLU HN 3.00 (# 1264:10 Unique 2.42, 2.61 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1081,1082,
&end
#
# 78 PRO HD+ 76 GLN HN 5.40 (# 1265:10 Unique 4.01, 4.79 A)
&rst
ixpk= 1265, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1132,1133,
&end
#
# 41 LEU MDX 76 GLN HN 7.00 (# 1266:10 Unique 3.28, 5.78 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 76 GLN HG- 76 GLN HN 3.10 (# 1267:10 Unique 1.95, 2.76 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1099,1100,
&end
#
# 77 LYS HG- 77 LYS HN 4.50 (# 1268:10 Unique 4.46, 4.83 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1117,
&end
#
# 80 LEU HG 79 ASP HN 5.00 (# 1269:10 Unique 3.74, 4.36 A)
&rst
ixpk= 1269, nxpk= 10, iat=1164,1145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 ASP HB- 80 LEU HN 5.00 (# 1270:10 Unique 4.16, 4.46 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1149,1150,
&end
#
# 80 LEU HB- 80 LEU HN 3.50 (# 1271:10 Unique 2.21, 3.18 A)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 80 LEU MDY 80 LEU HN 4.50 (# 1272:10 Unique 2.31, 4.04 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 10-2:1273 81 SER HN 7.00 (# 1273:10 Single Ambig)
&rst
ixpk= 1273, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1116,1117,1587,1588,
&end
#
# 83 VAL HN 81 SER HN 5.00 (# 1274:10 Unique 3.97, 4.25 A)
&rst
ixpk= 1274, nxpk= 10, iat=1197,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 LEU MDX 82 ALA HN 7.00 (# 1275:10 Unique 4.18, 6.13 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 114 ALA MB 82 ALA HN 6.00 (# 1276:10 Unique 2.93, 5.02 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1660,1661,1662,
&end
#
# 80 LEU HB- 82 ALA HN 4.50 (# 1277:10 Unique 2.47, 3.78 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161,1162,
&end
#
# 109 LEU HB- 82 ALA HN 7.00 (# 1278:10 Unique 8.06, 9.91 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1587,1588,
&end
#
# 80 LEU HB- 83 VAL HN 4.50 (# 1279:10 Unique 3.04, 3.88 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161,1162,
&end
#
# 80 LEU MDX 83 VAL HN 7.00 (# 1280:10 Unique 3.90, 6.09 A)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 10-2:1281 84 ARG HN 4.50 (# 1281:10 Single Ambig)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1217,1218, 696, 697,
&end
#
# 0 AMB 10-2:1282 84 ARG HN 7.00 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 696, 697, 699, 700, 701,
&end
#
# 49 ILE MG2 84 ARG HN 6.00 (# 1283:10 Unique 3.75, 5.12 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 692, 693, 694,
&end
#
# 0 AMB 10-2:1284 85 PHE HN 4.50 (# 1284:10 Single Ambig)
&rst
ixpk= 1284, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1220,1221,1217,1218,
&end
#
# 114 ALA MB 85 PHE HN 5.50 (# 1285:10 Unique 3.53, 4.85 A)
&rst
ixpk= 1285, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1660,1661,1662,
&end
#
# 0 AMB 10-2:1286 86 GLY HN 7.00 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2093,1237,
&end
#
# 50 TRP HB- 86 GLY HN 5.50 (# 1287:10 Unique 4.11, 5.08 A)
&rst
ixpk= 1287, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 710,
&end
#
# 0 AMB 10-2:1288 86 GLY HN 7.00 (# 1288:10 Single Ambig)
&rst
ixpk= 1288, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 692, 693, 694, 85, 86, 87, 89, 90, 91, 85,
86, 87, 89, 90, 91, 49, 50, 51,
&end
#
# 89 GLY HN 88 ILE HN 5.00 (# 1289:10 Unique 4.18, 4.30 A)
&rst
ixpk= 1289, nxpk= 10, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 VAL HB 88 ILE HN 5.50 (# 1290:10 Unique 4.56, 4.78 A)
&rst
ixpk= 1290, nxpk= 10, iat= 752,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HN 89 GLY HN 4.50 (# 1292:10 Unique 3.59, 4.01 A)
&rst
ixpk= 1292, nxpk= 10, iat=1755,1293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1293 89 GLY HN 5.50 (# 1293:10 Single Ambig)
&rst
ixpk= 1293, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1481,1482,1310,1311,1268,1269,1270,
&end
#
# 0 AMB 10-2:1294 89 GLY HN 4.50 (# 1294:10 Single Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1747,1748,1749,1764,1765,1766,1768,1769,1770,
&end
#
# 90 ILE HA 90 ILE HN 3.30 (# 1295:10 Unique 2.89, 2.92 A)
&rst
ixpk= 1295, nxpk= 10, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 90 ILE MD1 90 ILE HN 4.80 (# 1297:10 Unique 2.20, 4.27 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1313,1314,1315,
&end
#
# 90 ILE HG1+ 90 ILE HN 4.00 (# 1298:10 Unique 2.04, 3.59 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1310,1311,
&end
#
# 90 ILE MG2 90 ILE HN 5.00 (# 1299:10 Unique 3.33, 4.61 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1306,1307,1308,
&end
#
# 92 SER HN 91 GLY HN 4.00 (# 1300:10 Unique 1.81, 3.69 A)
&rst
ixpk= 1300, nxpk= 10, iat=1326,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 ILE HN 91 GLY HN 4.00 (# 1301:10 Unique 2.47, 3.64 A)
&rst
ixpk= 1301, nxpk= 10, iat=1829,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 ASN HA 91 GLY HN 4.30 (# 1302:10 Unique 2.24, 3.84 A)
&rst
ixpk= 1302, nxpk= 10, iat=1817,1319, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 123 ILE MG2 91 GLY HN 5.50 (# 1303:10 Unique 4.15, 5.85 A)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1802,1803,1804,
&end
#
# 0 AMB 10-2:1304 91 GLY HN 7.00 (# 1304:10 Single Ambig)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1313,1314,1315,1809,1810,1811,1806,1807,
&end
#
# 91 GLY HN 92 SER HN 4.00 (# 1306:10 Unique 1.81, 3.69 A)
&rst
ixpk= 1306, nxpk= 10, iat=1319,1326, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 ARG HG- 93 ARG HN 4.50 (# 1307:10 Unique 1.91, 2.93 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1344,1345,
&end
#
# 126 LEU MDY 93 ARG HN 5.50 (# 1308:10 Unique 2.69, 6.64 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 10-2:1309 93 ARG HN 7.00 (# 1309:10 Single Ambig)
&rst
ixpk= 1309, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1347,1348,1347,1348,
&end
#
# 93 ARG HB- 94 GLU HN 4.50 (# 1311:10 Unique 2.87, 4.03 A)
&rst
ixpk= 1311, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1341,1342,
&end
#
# 92 SER HB+ 94 GLU HN 4.80 (# 1312:10 Unique 2.76, 4.14 A)
&rst
ixpk= 1312, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1330,1331,
&end
#
# 96 ASP HA 96 ASP HN 3.30 (# 1315:10 Unique 2.28, 2.79 A)
&rst
ixpk= 1315, nxpk= 10, iat=1399,1397, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 96 ASP HN 97 THR HN 3.00 (# 1316:10 Unique 1.88, 2.60 A)
&rst
ixpk= 1316, nxpk= 10, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 PHE HN 97 THR HN 5.00 (# 1317:10 Unique 2.68, 4.49 A)
&rst
ixpk= 1317, nxpk= 10, iat=1423,1409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THR HA 97 THR HN 3.30 (# 1319:10 Unique 2.74, 2.79 A)
&rst
ixpk= 1319, nxpk= 10, iat=1411,1409, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 97 THR HB 97 THR HN 3.80 (# 1320:10 Unique 2.36, 3.17 A)
&rst
ixpk= 1320, nxpk= 10, iat=1413,1409, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 TYR HB+ 97 THR HN 4.20 (# 1321:10 Unique 2.24, 3.81 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1380,1381,
&end
#
# 96 ASP HB+ 97 THR HN 3.50 (# 1322:10 Unique 2.05, 2.99 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1401,1402,
&end
#
# 95 TYR HB- 97 THR HN 4.30 (# 1323:10 Unique 2.24, 3.81 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1380,1381,
&end
#
# 97 THR MG2 97 THR HN 3.80 (# 1324:10 Unique 1.98, 3.39 A)
&rst
ixpk= 1324, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1415,1416,1417,
&end
#
# 0 AMB 10-2:1326 99 CYS HN 7.00 (# 1326:10 Single Ambig)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1321,1322,1411,
&end
#
# 0 AMB 10-2:1327 99 CYS HN 7.00 (# 1327:10 Single Ambig)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1427,1428, 855, 856,
&end
#
# 0 AMB 10-2:1328 99 CYS HN 7.00 (# 1328:10 Single Ambig)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1447,1448,1494,1495,1787,1788,
&end
#
# 99 CYS HB- 99 CYS HN 4.20 (# 1329:10 Unique 3.08, 3.77 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1447,1448,
&end
#
# 0 AMB 10-2:1330 100 GLY HN 4.50 (# 1330:10 Single Ambig)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1456,1457,1456,1457,
&end
#
# 0 AMB 10-2:1331 100 GLY HN 5.50 (# 1331:10 Single Ambig)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 812, 813,1465,1466,1467,
&end
#
# 0 AMB 10-2:1332 102 ILE HN 5.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1463,1456,1457,1456,1457,
&end
#
# 0 AMB 10-2:1333 102 ILE HN 4.50 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1533,1534,1535,1537,1538,1539,1484,1485,1486, 882,
883,
&end
#
# 103 ASP HB+ 103 ASP HN 2.80 (# 1334:10 Unique 2.07, 2.59 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:1335 103 ASP HN 5.50 (# 1335:10 Single Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1512,1513,1475,
&end
#
# 103 ASP HB+ 104 LYS HN 3.50 (# 1336:10 Unique 2.12, 3.21 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1494,1495,
&end
#
# 105 LEU HG 104 LYS HN 4.50 (# 1337:10 Unique 3.89, 4.39 A)
&rst
ixpk= 1337, nxpk= 10, iat=1531,1502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LYS HB+ 104 LYS HN 3.20 (# 1338:10 Unique 2.09, 2.87 A)
&rst
ixpk= 1338, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1506,1507,
&end
#
# 69 PHE HB- 70 TYR HN 4.00 (# 1339:10 Unique 2.59, 3.46 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 979, 980,
&end
#
# 104 LYS HD+ 105 LEU HN 5.50 (# 1340:10 Unique 3.92, 5.39 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1512,1513,
&end
#
# 102 ILE HA 106 GLU HN 4.80 (# 1341:10 Unique 3.76, 4.24 A)
&rst
ixpk= 1341, nxpk= 10, iat=1473,1543, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 105 LEU HA 106 GLU HN 4.00 (# 1342:10 Unique 3.41, 3.48 A)
&rst
ixpk= 1342, nxpk= 10, iat=1526,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1343 106 GLU HN 7.00 (# 1343:10 Single Ambig)
&rst
ixpk= 1343, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1481,1482,1533,1534,1535,1537,1538,1539,
&end
#
# 108 GLU HB+ 109 LEU HN 3.50 (# 1344:10 Unique 2.51, 3.04 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 108 GLU HB- 109 LEU HN 3.50 (# 1345:10 Unique 2.51, 3.04 A)
&rst
ixpk= 1345, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 73 LEU MDX 109 LEU HN 3.50 (# 1346:10 Unique 2.78, 5.04 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 10-2:1347 110 LYS HN 7.00 (# 1347:10 Single Ambig)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1638,1656,
&end
#
# 0 AMB 10-2:1348 110 LYS HN 7.00 (# 1348:10 Single Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1568,1649,
&end
#
# 0 AMB 10-2:1349 110 LYS HN 7.00 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1590,1673,1674,
&end
#
# 109 LEU MDX 110 LYS HN 6.00 (# 1350:10 Unique 4.55, 5.64 A)
&rst
ixpk= 1350, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 110 LYS HN 111 ASN HN 2.60 (# 1351:10 Unique 2.18, 2.34 A)
&rst
ixpk= 1351, nxpk= 10, iat=1602,1624, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 110 LYS HN 109 LEU HN 3.20 (# 1352:10 Unique 2.63, 2.80 A)
&rst
ixpk= 1352, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 110 LYS HN 112 SER HN 4.50 (# 1353:10 Unique 3.91, 4.27 A)
&rst
ixpk= 1353, nxpk= 10, iat=1602,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1354 113 GLY HN 2.80 (# 1354:10 Single Ambig)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1656,1638,
&end
#
# 113 GLY HA+ 113 GLY HN 3.20 (# 1355:10 Unique 2.35, 2.73 A)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1651,1652,
&end
#
# 0 AMB 10-2:1356 113 GLY HN 5.50 (# 1356:10 Single Ambig)
&rst
ixpk= 1356, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1604,1626,
&end
#
# 112 SER HA 113 GLY HN 3.60 (# 1357:10 Unique 2.91, 3.28 A)
&rst
ixpk= 1357, nxpk= 10, iat=1640,1649, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 112 SER HB- 113 GLY HN 4.50 (# 1358:10 Unique 2.98, 4.02 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1642,1643,
&end
#
# 113 GLY HA- 113 GLY HN 3.20 (# 1359:10 Unique 2.35, 2.73 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1651,1652,
&end
#
# 115 LYS HA 115 LYS HN 3.30 (# 1360:10 Unique 2.81, 2.89 A)
&rst
ixpk= 1360, nxpk= 10, iat=1668,1666, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 VAL MGX 115 LYS HN 7.00 (# 1361:10 Unique 3.97, 6.39 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:1362 116 GLN HN 5.50 (# 1362:10 Single Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1666,1602,
&end
#
# 116 GLN HE2- 117 THR HN 4.30 (# 1363:10 Unique 2.46, 3.90 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1700,1701,
&end
#
# 118 GLY HA+ 118 GLY HN 3.00 (# 1365:10 Unique 2.30, 2.65 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1721,1722,
&end
#
# 120 THR HN 119 GLU HN 4.80 (# 1367:10 Unique 4.22, 4.37 A)
&rst
ixpk= 1367, nxpk= 10, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 119 GLU HN 120 THR HN 4.80 (# 1369:10 Unique 4.22, 4.37 A)
&rst
ixpk= 1369, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 87 ALA MB 120 THR HN 6.00 (# 1370:10 Unique 4.24, 5.66 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1268,1269,1270,
&end
#
# 89 GLY HN 121 LEU HN 4.50 (# 1371:10 Unique 3.59, 4.01 A)
&rst
ixpk= 1371, nxpk= 10, iat=1293,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 THR HB 121 LEU HN 3.80 (# 1372:10 Unique 2.86, 3.30 A)
&rst
ixpk= 1372, nxpk= 10, iat=1745,1755, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 121 LEU HG 121 LEU HN 5.30 (# 1373:10 Unique 4.64, 4.72 A)
&rst
ixpk= 1373, nxpk= 10, iat=1762,1755, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 121 LEU HN 122 LYS HN 4.80 (# 1375:10 Unique 4.20, 4.36 A)
&rst
ixpk= 1375, nxpk= 10, iat=1755,1774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 123 ILE HN 122 LYS HN 4.30 (# 1376:10 Unique 3.76, 3.92 A)
&rst
ixpk= 1376, nxpk= 10, iat=1796,1774, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 121 LEU HB+ 122 LYS HN 4.50 (# 1378:10 Unique 3.42, 4.04 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1759,1760,
&end
#
# 121 LEU MDY 122 LYS HN 5.30 (# 1379:10 Unique 2.82, 4.86 A)
&rst
ixpk= 1379, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 124 ASN HN 123 ILE HN 4.00 (# 1380:10 Unique 4.02, 4.43 A)
&rst
ixpk= 1380, nxpk= 10, iat=1815,1796, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 GLY HN 123 ILE HN 4.30 (# 1381:10 Unique 3.20, 3.85 A)
&rst
ixpk= 1381, nxpk= 10, iat=1293,1796, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 91 GLY HN 123 ILE HN 5.00 (# 1382:10 Unique 3.25, 4.53 A)
&rst
ixpk= 1382, nxpk= 10, iat=1319,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 ILE HG1- 123 ILE HN 4.80 (# 1383:10 Unique 2.28, 4.31 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1310,1311,
&end
#
# 0 AMB 10-2:1384 123 ILE HN 7.00 (# 1384:10 Single Ambig)
&rst
ixpk= 1384, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1278, 811, 812, 813,
&end
#
# 122 LYS HB+ 123 ILE HN 4.50 (# 1385:10 Unique 3.62, 4.18 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1778,1779,
&end
#
# 124 ASN HB- 124 ASN HN 3.20 (# 1386:10 Unique 2.09, 2.75 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1819,1820,
&end
#
# 124 ASN HB+ 124 ASN HN 3.20 (# 1387:10 Unique 2.09, 2.75 A)
&rst
ixpk= 1387, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1819,1820,
&end
#
# 0 AMB 10-2:1389 125 ILE HN 7.00 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1829, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1=1802,1803,1804,1857,1858,1859,1861,1862,1863,1857,
1858,1859,1861,1862,1863,
&end
#
# 0 AMB 10-2:1390 127 ASP HN 5.50 (# 1390:10 Single Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1871,1872,1871,1872,
&end
#
# 124 ASN HB- 127 ASP HN 7.00 (# 1391:10 Unique 4.77, 6.46 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1819,1820,
&end
#
# 127 ASP HA 127 ASP HN 3.20 (# 1392:10 Unique 2.76, 2.86 A)
&rst
ixpk= 1392, nxpk= 10, iat=1869,1867, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 124 ASN HD2- 129 ASP HN 7.00 (# 1393:10 Unique 4.65, 6.72 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1824,1825,
&end
#
# 128 HIS HB- 129 ASP HN 4.30 (# 1394:10 Unique 2.20, 3.71 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1883,1884,
&end
#
# 128 HIS HB- 130 ILE HN 5.50 (# 1395:10 Unique 2.46, 4.43 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1883,1884,
&end
#
# 130 ILE HG1+ 130 ILE HN 3.80 (# 1396:10 Unique 1.96, 3.34 A)
&rst
ixpk= 1396, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1918,1919,
&end
#
# 130 ILE HG1- 130 ILE HN 3.80 (# 1397:10 Unique 1.96, 3.34 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1918,1919,
&end
#
# 130 ILE MG2 130 ILE HN 4.00 (# 1398:10 Unique 1.95, 3.62 A)
&rst
ixpk= 1398, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1914,1915,1916,
&end
#
# 130 ILE HA 130 ILE HN 3.20 (# 1399:10 Unique 2.83, 2.91 A)
&rst
ixpk= 1399, nxpk= 10, iat=1910,1908, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:1400 0 AMB 10-1:1400 4.50 (# 1400:10 Double Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2009, 977,
igr2=2007,1031,
&end
#
# 0 AMB 10-2:1401 137 GLU HN 4.50 (# 1401:10 Single Ambig)
&rst
ixpk= 1401, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1996,1997,1996,1997,2014,2015,
&end
#
# 0 AMB 10-2:1402 138 TRP HN 7.00 (# 1402:10 Single Ambig)
&rst
ixpk= 1402, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1764,1765,1766,1768,1769,1770, 303, 304, 305, 307,
308, 309,
&end
#
# 135 ALA HA 139 LEU HN 4.50 (# 1403:10 Unique 3.72, 4.06 A)
&rst
ixpk= 1403, nxpk= 10, iat=1984,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 TRP HA 139 LEU HN 3.80 (# 1404:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1404, nxpk= 10, iat=2024,2046, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 10-2:1405 139 LEU HN 7.00 (# 1405:10 Single Ambig)
&rst
ixpk= 1405, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1996,1997,1996,1997,1999,2000,2014,2015,
&end
#
# 0 AMB 10-2:1406 139 LEU HN 7.00 (# 1406:10 Single Ambig)
&rst
ixpk= 1406, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
&end
#
# 141 SER HN 140 GLY HN 3.20 (# 1407:10 Unique 2.69, 2.83 A)
&rst
ixpk= 1407, nxpk= 10, iat=2072,2065, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 140 GLY HA+ 140 GLY HN 2.80 (# 1408:10 Unique 2.29, 2.53 A)
&rst
ixpk= 1408, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2067,2068,
&end
#
# 140 GLY HA- 140 GLY HN 2.80 (# 1409:10 Unique 2.29, 2.53 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2067,2068,
&end
#
# 139 LEU HB+ 140 GLY HN 3.20 (# 1410:10 Unique 2.02, 2.77 A)
&rst
ixpk= 1410, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2050,2051,
&end
#
# 139 LEU HB- 140 GLY HN 3.20 (# 1411:10 Unique 2.02, 2.77 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2050,2051,
&end
#
# 139 LEU HN 141 SER HN 4.50 (# 1412:10 Unique 3.79, 4.09 A)
&rst
ixpk= 1412, nxpk= 10, iat=2046,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 TRP HB- 141 SER HN 5.30 (# 1413:10 Unique 4.25, 4.92 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2087,2088,
&end
#
# 142 TRP HB+ 141 SER HN 5.30 (# 1414:10 Unique 4.25, 4.92 A)
&rst
ixpk= 1414, nxpk= 10, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2087,2088,
&end
#
# 0 AMB 10-2:1415 142 TRP HN 4.50 (# 1415:10 Single Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2076,2077,2048,
&end
#
# 0 AMB 10-2:1416 142 TRP HN 7.00 (# 1416:10 Single Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 10-2:1417 143 VAL HN 7.00 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2137,2132,2133,
&end
#
# 142 TRP HA 143 VAL HN 4.00 (# 1418:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1418, nxpk= 10, iat=2085,2107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1419 143 VAL HN 5.50 (# 1419:10 Single Ambig)
&rst
ixpk= 1419, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2127,2128,2127,2128,
&end
#
# 0 AMB 10-2:1420 143 VAL HN 7.00 (# 1420:10 Single Ambig)
&rst
ixpk= 1420, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 369, 370, 371, 373, 374, 375,2163,
&end
#
# 145 LEU HB- 145 LEU HN 3.30 (# 1421:10 Unique 2.13, 2.90 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2141,2142,
&end
#
# 0 AMB 10-2:1422 146 LEU HN 3.50 (# 1422:10 Single Ambig)
&rst
ixpk= 1422, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2141,2142,2160,2161,
&end
#
# 143 VAL MGY 146 LEU HN 7.00 (# 1423:10 Unique 5.50, 6.44 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2113,2114,2115,2117,2118,2119,
&end
#
# 117 THR MG2 146 LEU HN 4.30 (# 1424:10 Unique 2.66, 3.72 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1711,1712,1713,
&end
#
# 49 ILE MG2 146 LEU HN 5.50 (# 1425:10 Unique 4.94, 5.70 A)
&rst
ixpk= 1425, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 692, 693, 694,
&end
#
# 145 LEU HN 147 LYS HN 4.00 (# 1426:10 Unique 3.29, 3.46 A)
&rst
ixpk= 1426, nxpk= 10, iat=2137,2175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 ASN HA 147 LYS HN 4.30 (# 1427:10 Unique 3.61, 3.80 A)
&rst
ixpk= 1427, nxpk= 10, iat=2125,2175, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:1428 147 LYS HN 4.50 (# 1428:10 Single Ambig)
&rst
ixpk= 1428, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2185,2186,2141,2142,
&end
#
# 147 LYS HG+ 147 LYS HN 3.80 (# 1429:10 Unique 2.60, 3.40 A)
&rst
ixpk= 1429, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2182,2183,
&end
#
# 147 LYS HG- 147 LYS HN 3.80 (# 1430:10 Unique 2.60, 3.40 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2182,2183,
&end
#
# 0 AMB 10-2:1431 147 LYS HN 7.00 (# 1431:10 Single Ambig)
&rst
ixpk= 1431, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 146 LEU MDY 147 LYS HN 5.30 (# 1432:10 Unique 3.50, 4.75 A)
&rst
ixpk= 1432, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 146 LEU MDX 147 LYS HN 5.30 (# 1433:10 Unique 3.50, 4.75 A)
&rst
ixpk= 1433, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 45 PRO HD+ 50 TRP HE1 5.00 (# 1435:10 Unique 3.02, 4.48 A)
&rst
ixpk= 1435, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 645, 646,
&end
#
# 0 AMB 10-2:1436 50 TRP HE1 7.00 (# 1436:10 Single Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1201, 629, 630,
&end
#
# 44 LEU MDX 50 TRP HE1 5.50 (# 1437:10 Unique 2.70, 5.02 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 119 GLU HB+ 138 TRP HE1 4.20 (# 1440:10 Unique 1.97, 3.76 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1730,1731,
&end
#
# 121 LEU MDY 138 TRP HE1 5.20 (# 1441:10 Unique 2.61, 4.77 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 146 LEU MDX 142 TRP HE1 7.00 (# 1442:10 Unique 3.59, 6.40 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 51 LEU MDX 142 TRP HE1 6.00 (# 1443:10 Unique 2.54, 5.36 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:1445 84 ARG HE 5.50 (# 1445:10 Single Ambig)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1237,1688,
&end
#
# 84 ARG HD+ 84 ARG HE 3.30 (# 1446:10 Unique 2.28, 2.70 A)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1223,1224,
&end
#
# 0 AMB 10-2:1447 84 ARG HE 5.50 (# 1447:10 Single Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1676,1677,1676,1677,2146,2147,2148,2150,2151,2152,
1609,1610,
&end
#
# 84 ARG HG- 84 ARG HE 3.30 (# 1448:10 Unique 2.22, 2.95 A)
&rst
ixpk= 1448, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1220,1221,
&end
#
# 0 AMB 10-2:1450 93 ARG HE 5.50 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1347,1348,1347,1348,
&end
#
# 120 THR HA 116 GLN HE2+ 3.80 (# 1451:10 Unique 1.96, 3.33 A)
&rst
ixpk= 1451, nxpk= 10, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1700,1701,
&end
#
# 120 THR MG2 116 GLN HE2+ 6.00 (# 1453:10 Unique 2.61, 5.49 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1747,1748,1749,
igr2=1700,1701,
&end
#
# 72 ALA MB 76 GLN HE2- 4.50 (# 1454:10 Unique 2.47, 4.38 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1035,1036,1037,
igr2=1104,1105,
&end
#
# 76 GLN HG+ 76 GLN HE2- 4.00 (# 1455:10 Unique 2.12, 3.26 A)
&rst
ixpk= 1455, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1099,1100,
igr2=1104,1105,
&end
#
# 41 LEU MDX 76 GLN HE2- 5.00 (# 1456:10 Unique 1.95, 4.42 A)
&rst
ixpk= 1456, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1104,1105,
&end
#
# 53 ILE HN 65 ASN HD2+ 7.50 (# 1459:10 Unique 7.02, 7.90 A)
&rst
ixpk= 1459, nxpk= 10, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 926, 927,
&end
#
# 38 GLY HN 65 ASN HD2- 3.50 (# 1460:10 Unique 2.30, 2.93 A)
&rst
ixpk= 1460, nxpk= 10, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 38 GLY HA+ 65 ASN HD2- 4.20 (# 1461:10 Unique 2.76, 3.73 A)
&rst
ixpk= 1461, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 541, 542,
igr2= 926, 927,
&end
#
# 38 GLY HA- 65 ASN HD2- 4.20 (# 1462:10 Unique 2.76, 3.73 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 541, 542,
igr2= 926, 927,
&end
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