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 |
|
|
501720 |
2kw1   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 89 SER HN 89 SER HA 3.50 (# 0:20 Unique 2.76, 2.89 A)
&rst
ixpk= 0, nxpk= 20, iat=1377,1379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 0 AMB 20-2:1 89 SER HA 2.80 (# 1:20 Single Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1381,1382,1381,1382,
&end
#
# 88 ALA MB 89 SER HA 4.50 (# 3:20 Preassigned 4.39, 5.31 A)
&rst
ixpk= 3, nxpk= 20, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1371,1372,1373,
&end
#
# 89 SER HA 0 AMB 20-1:4 2.80 (# 4:20 Single Ambig)
&rst
ixpk= 4, nxpk= 20, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1381,1382,1381,1382,
&end
#
# 88 ALA HN 88 ALA HA 4.50 (# 7:20 Unique 2.28, 2.84 A)
&rst
ixpk= 7, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 SER HN 88 ALA HA 2.80 (# 8:20 Unique 2.15, 2.35 A)
&rst
ixpk= 8, nxpk= 20, iat=1377,1369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ALA MB 88 ALA HA 2.80 (# 9:20 Unique 2.22, 2.63 A)
&rst
ixpk= 9, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1371,1372,1373,
&end
#
# 87 ILE QD1 88 ALA HA 5.50 (# 10:20 Preassigned 6.31, 7.43 A)
&rst
ixpk= 10, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1361,1362,1363,
&end
#
# 88 ALA HN 88 ALA MB 2.80 (# 11:20 Unique 2.29, 3.26 A)
&rst
ixpk= 11, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1371,1372,1373,
&end
#
# 89 SER HN 88 ALA MB 3.50 (# 12:20 Unique 3.56, 4.34 A)
&rst
ixpk= 12, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1371,1372,1373,
&end
#
# 88 ALA HA 88 ALA MB 2.80 (# 13:20 Unique 2.22, 2.63 A)
&rst
ixpk= 13, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1371,1372,1373,
&end
#
# 88 ALA HN 87 ILE HA 3.50 (# 14:20 Unique 2.20, 2.22 A)
&rst
ixpk= 14, nxpk= 20, iat=1367,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ILE HN 87 ILE HA 3.50 (# 15:20 Unique 2.76, 2.79 A)
&rst
ixpk= 15, nxpk= 20, iat=1348,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ILE HB 87 ILE HA 3.50 (# 16:20 Unique 3.02, 3.02 A)
&rst
ixpk= 16, nxpk= 20, iat=1352,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ILE HG1- 87 ILE HA 3.50 (# 17:20 Unique 2.45, 2.90 A)
&rst
ixpk= 17, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1358,1359,
&end
#
# 87 ILE HG1+ 87 ILE HA 4.50 (# 18:20 Unique 2.45, 2.90 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1358,1359,
&end
#
# 87 ILE QG2 87 ILE HA 3.50 (# 19:20 Preassigned 2.32, 3.09 A)
&rst
ixpk= 19, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 87 ILE QD1 87 ILE HA 4.50 (# 20:20 Preassigned 2.01, 4.37 A)
&rst
ixpk= 20, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1361,1362,1363,
&end
#
# 88 ALA HN 87 ILE HB 5.50 (# 21:20 Unique 3.87, 3.93 A)
&rst
ixpk= 21, nxpk= 20, iat=1367,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ILE HN 87 ILE HB 3.50 (# 22:20 Unique 2.55, 2.61 A)
&rst
ixpk= 22, nxpk= 20, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ILE HA 87 ILE HB 3.50 (# 23:20 Unique 3.02, 3.02 A)
&rst
ixpk= 23, nxpk= 20, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ILE HG1- 87 ILE HB 2.80 (# 24:20 Unique 2.43, 2.73 A)
&rst
ixpk= 24, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1358,1359,
&end
#
# 87 ILE HG1+ 87 ILE HB 3.50 (# 25:20 Unique 2.43, 2.73 A)
&rst
ixpk= 25, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1358,1359,
&end
#
# 87 ILE QG2 87 ILE HB 2.80 (# 26:20 Unique 2.26, 2.63 A)
&rst
ixpk= 26, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1354,1355,1356,
&end
#
# 87 ILE QD1 87 ILE HB 3.50 (# 27:20 Unique 2.07, 3.19 A)
&rst
ixpk= 27, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1361,1362,1363,
&end
#
# 87 ILE HN 87 ILE HG1- 3.50 (# 28:20 Unique 1.95, 2.71 A)
&rst
ixpk= 28, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1358,1359,
&end
#
# 87 ILE HN 87 ILE HG1+ 2.80 (# 29:20 Unique 1.95, 2.71 A)
&rst
ixpk= 29, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1358,1359,
&end
#
# 8 ASN HA 87 ILE HG1- 5.50 (# 30:20 Unique 6.69, 8.01 A)
&rst
ixpk= 30, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1358,1359,
&end
#
# 87 ILE HA 87 ILE HG1- 3.50 (# 31:20 Unique 2.45, 2.90 A)
&rst
ixpk= 31, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1358,1359,
&end
#
# 87 ILE HA 87 ILE HG1+ 4.50 (# 32:20 Unique 2.45, 2.90 A)
&rst
ixpk= 32, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1358,1359,
&end
#
# 9 THR HB 87 ILE HG1- 5.50 (# 33:20 Unique 2.68, 4.40 A)
&rst
ixpk= 33, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1358,1359,
&end
#
# 9 THR HB 87 ILE HG1+ 5.50 (# 34:20 Unique 2.68, 4.40 A)
&rst
ixpk= 34, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1358,1359,
&end
#
# 87 ILE HB 87 ILE HG1- 2.80 (# 35:20 Unique 2.43, 2.73 A)
&rst
ixpk= 35, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1358,1359,
&end
#
# 87 ILE HB 87 ILE HG1+ 2.80 (# 36:20 Unique 2.43, 2.73 A)
&rst
ixpk= 36, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1358,1359,
&end
#
# 87 ILE HA 87 ILE QD1 4.50 (# 39:20 Unique 2.01, 4.37 A)
&rst
ixpk= 39, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1361,1362,1363,
&end
#
# 9 THR HB 87 ILE QD1 4.50 (# 40:20 Unique 2.00, 3.98 A)
&rst
ixpk= 40, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1361,1362,1363,
&end
#
# 87 ILE HB 87 ILE QD1 3.50 (# 41:20 Unique 2.07, 3.19 A)
&rst
ixpk= 41, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1361,1362,1363,
&end
#
# 87 ILE HG1- 87 ILE QD1 2.80 (# 42:20 Preassigned 2.21, 2.62 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1358,1359,
igr2=1361,1362,1363,
&end
#
# 87 ILE HB 87 ILE QG2 2.80 (# 43:20 Unique 2.26, 2.63 A)
&rst
ixpk= 43, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1354,1355,1356,
&end
#
# 9 THR HB 87 ILE QG2 5.50 (# 44:20 Unique 5.55, 6.61 A)
&rst
ixpk= 44, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 87 ILE HA 87 ILE QG2 3.50 (# 45:20 Unique 2.32, 3.09 A)
&rst
ixpk= 45, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1354,1355,1356,
&end
#
# 87 ILE HN 87 ILE QG2 4.50 (# 46:20 Unique 4.38, 4.53 A)
&rst
ixpk= 46, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1354,1355,1356,
&end
#
# 88 ALA HN 87 ILE QG2 3.50 (# 47:20 Unique 2.06, 3.01 A)
&rst
ixpk= 47, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1354,1355,1356,
&end
#
# 11 VAL HN 87 ILE QG2 4.50 (# 48:20 Unique 4.76, 6.02 A)
&rst
ixpk= 48, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1354,1355,1356,
&end
#
# 10 TRP HE1 86 GLU HA 4.50 (# 49:20 Unique 2.52, 6.21 A)
&rst
ixpk= 49, nxpk= 20, iat= 154,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLU HN 86 GLU HA 2.80 (# 50:20 Preassigned 2.76, 2.77 A)
&rst
ixpk= 50, nxpk= 20, iat=1333,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 ILE HN 86 GLU HA 2.80 (# 51:20 Unique 2.29, 2.43 A)
&rst
ixpk= 51, nxpk= 20, iat=1348,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 THR HN 86 GLU HA 4.50 (# 52:20 Unique 4.09, 4.80 A)
&rst
ixpk= 52, nxpk= 20, iat= 130,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 TRP HZ2 86 GLU HA 5.50 (# 53:20 Unique 4.82, 7.15 A)
&rst
ixpk= 53, nxpk= 20, iat= 157,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TRP HD1 86 GLU HA 2.80 (# 54:20 Unique 2.04, 5.13 A)
&rst
ixpk= 54, nxpk= 20, iat= 152,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 TRP HA 86 GLU HA 3.50 (# 55:20 Unique 3.04, 3.64 A)
&rst
ixpk= 55, nxpk= 20, iat= 146,1335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:56 86 GLU HA 4.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 148, 149, 148, 149,
&end
#
# 86 GLU HG+ 86 GLU HA 3.50 (# 58:20 Unique 2.18, 2.64 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1340,1341,
&end
#
# 0 AMB 20-2:59 0 AMB 20-1:59 2.80 (# 59:20 Double Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 8, 9,1337,1338,
igr2= 6,1335,
&end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 3.50 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1340,1341, 8, 9,1337,1338,
igr2=1335, 6,
&end
#
# 0 AMB 20-2:61 1 GLU HA 2.80 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 11, 12, 11, 12,
&end
#
# 10 TRP HE1 86 GLU HB+ 4.50 (# 63:20 Unique 3.52, 8.49 A)
&rst
ixpk= 63, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1337,1338,
&end
#
# 10 TRP HE1 86 GLU HB- 4.50 (# 64:20 Unique 3.52, 8.49 A)
&rst
ixpk= 64, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1337,1338,
&end
#
# 86 GLU HN 86 GLU HB+ 2.80 (# 65:20 Unique 2.14, 2.56 A)
&rst
ixpk= 65, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 86 GLU HN 86 GLU HB- 2.80 (# 66:20 Unique 2.14, 2.56 A)
&rst
ixpk= 66, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 87 ILE HN 86 GLU HB+ 2.80 (# 67:20 Unique 2.94, 3.57 A)
&rst
ixpk= 67, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 87 ILE HN 86 GLU HB- 2.80 (# 68:20 Unique 2.94, 3.57 A)
&rst
ixpk= 68, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 86 GLU HA 86 GLU HB+ 2.80 (# 71:20 Unique 2.48, 2.81 A)
&rst
ixpk= 71, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 86 GLU HA 86 GLU HB- 2.80 (# 72:20 Unique 2.48, 2.81 A)
&rst
ixpk= 72, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:73 0 AMB 20-1:73 4.50 (# 73:20 Double Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1333, 168,
igr2=1340,1341,1340,1341,
&end
#
# 86 GLU HN 86 GLU HG- 4.50 (# 74:20 Preassigned 4.00, 4.35 A)
&rst
ixpk= 74, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1340,1341,
&end
#
# 87 ILE HN 86 GLU HG+ 3.50 (# 75:20 Unique 1.95, 2.41 A)
&rst
ixpk= 75, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 87 ILE HN 86 GLU HG- 3.50 (# 76:20 Unique 1.95, 2.41 A)
&rst
ixpk= 76, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 86 GLU HA 86 GLU HG+ 3.50 (# 77:20 Unique 2.18, 2.64 A)
&rst
ixpk= 77, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 86 GLU HA 86 GLU HG- 3.50 (# 78:20 Unique 2.18, 2.64 A)
&rst
ixpk= 78, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 86 GLU HN 85 PRO HB+ 3.50 (# 81:20 Unique 2.17, 3.18 A)
&rst
ixpk= 81, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1326,1327,
&end
#
# 86 GLU HN 85 PRO HB- 3.50 (# 82:20 Unique 2.17, 3.18 A)
&rst
ixpk= 82, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1326,1327,
&end
#
# 85 PRO HD- 85 PRO HB+ 3.50 (# 85:20 Unique 2.98, 3.70 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1320,1321,
igr2=1326,1327,
&end
#
# 85 PRO HD+ 85 PRO HB+ 2.80 (# 86:20 Unique 2.98, 3.70 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1326,1327,
&end
#
# 85 PRO HD- 85 PRO HB- 3.50 (# 87:20 Unique 2.98, 3.70 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1320,1321,
igr2=1326,1327,
&end
#
# 85 PRO HD+ 85 PRO HB- 3.50 (# 88:20 Unique 2.98, 3.70 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1320,1321,
igr2=1326,1327,
&end
#
# 85 PRO HG+ 85 PRO HB- 2.80 (# 90:20 Unique 2.32, 2.58 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,
igr2=1326,1327,
&end
#
# 85 PRO HD- 85 PRO HG+ 2.80 (# 93:20 Unique 2.30, 2.58 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1323,1324,
&end
#
# 85 PRO HD+ 85 PRO HG+ 2.80 (# 94:20 Unique 2.30, 2.58 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1323,1324,
&end
#
# 85 PRO HD- 85 PRO HG- 2.80 (# 95:20 Unique 2.30, 2.58 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1323,1324,
&end
#
# 85 PRO HD+ 85 PRO HG- 2.80 (# 96:20 Unique 2.30, 2.58 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1323,1324,
&end
#
# 85 PRO HB+ 85 PRO HG+ 2.80 (# 97:20 Unique 2.32, 2.58 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1326,1327,
igr2=1323,1324,
&end
#
# 85 PRO HB+ 85 PRO HG- 2.80 (# 98:20 Unique 2.32, 2.58 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1326,1327,
igr2=1323,1324,
&end
#
# 84 ILE QG2 85 PRO HG+ 5.50 (# 99:20 Unique 4.90, 6.45 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1306,1307,1308,
igr2=1323,1324,
&end
#
# 84 ILE HA 85 PRO HD+ 2.80 (# 100:20 Unique 2.01, 2.42 A)
&rst
ixpk= 100, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1320,1321,
&end
#
# 85 PRO HB+ 85 PRO HD+ 3.50 (# 101:20 Unique 2.98, 3.70 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1326,1327,
igr2=1320,1321,
&end
#
# 84 ILE HA 85 PRO HD- 2.80 (# 102:20 Unique 2.01, 2.42 A)
&rst
ixpk= 102, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1320,1321,
&end
#
# 85 PRO HB+ 85 PRO HD- 3.50 (# 103:20 Unique 2.98, 3.70 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1326,1327,
igr2=1320,1321,
&end
#
# 85 PRO HG+ 85 PRO HD+ 2.80 (# 104:20 Unique 2.30, 2.58 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,
igr2=1320,1321,
&end
#
# 85 PRO HG+ 85 PRO HD- 2.80 (# 105:20 Unique 2.30, 2.58 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,
igr2=1320,1321,
&end
#
# 85 PRO HG- 85 PRO HD+ 2.80 (# 107:20 Unique 2.30, 2.58 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,
igr2=1320,1321,
&end
#
# 85 PRO HG- 85 PRO HD- 2.80 (# 108:20 Unique 2.30, 2.58 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:109 85 PRO HD- 5.50 (# 109:20 Single Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1268,1269,1310,1311, 193, 194, 195, 197, 198, 199,
igr2=1320,1321,
&end
#
# 84 ILE QG2 85 PRO HD+ 2.80 (# 110:20 Unique 3.50, 5.02 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1306,1307,1308,
igr2=1320,1321,
&end
#
# 84 ILE QG2 85 PRO HD- 3.50 (# 111:20 Unique 3.50, 5.02 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1306,1307,1308,
igr2=1320,1321,
&end
#
# 84 ILE QD1 85 PRO HD+ 3.50 (# 112:20 Unique 3.50, 4.90 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1313,1314,1315,
igr2=1320,1321,
&end
#
# 84 ILE QD1 85 PRO HD- 3.50 (# 113:20 Unique 3.50, 4.90 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1313,1314,1315,
igr2=1320,1321,
&end
#
# 14 MET HN 14 MET HA 2.80 (# 114:20 Unique 2.81, 2.92 A)
&rst
ixpk= 114, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ILE QD1 84 ILE HA 2.80 (# 115:20 Unique 2.00, 2.87 A)
&rst
ixpk= 115, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1313,1314,1315,
&end
#
# 84 ILE HN 84 ILE HB 2.80 (# 116:20 Unique 2.65, 2.74 A)
&rst
ixpk= 116, nxpk= 20, iat=1300,1304, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 TRP HD1 84 ILE HB 4.50 (# 117:20 Unique 4.97, 5.68 A)
&rst
ixpk= 117, nxpk= 20, iat= 152,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 GLU HA 84 ILE HB 5.50 (# 118:20 Unique 4.55, 4.62 A)
&rst
ixpk= 118, nxpk= 20, iat=1287,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ILE HG1- 84 ILE HB 2.80 (# 119:20 Unique 2.43, 2.46 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1310,1311,
&end
#
# 84 ILE QG2 84 ILE HB 2.80 (# 120:20 Unique 2.22, 2.63 A)
&rst
ixpk= 120, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1306,1307,1308,
&end
#
# 84 ILE HG1+ 84 ILE HB 2.80 (# 121:20 Unique 2.43, 2.46 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1310,1311,
&end
#
# 77 LEU HG 84 ILE HB 3.50 (# 122:20 Unique 2.77, 3.85 A)
&rst
ixpk= 122, nxpk= 20, iat=1188,1304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:123 84 ILE HB 2.80 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1185,1186,1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:124 84 ILE HB 3.50 (# 124:20 Single Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
&end
#
# 77 LEU MDY 84 ILE HB 2.80 (# 125:20 Unique 2.55, 4.35 A)
&rst
ixpk= 125, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB- 84 ILE HB 5.50 (# 126:20 Unique 1.99, 3.00 A)
&rst
ixpk= 126, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1185,1186,
&end
#
# 84 ILE HN 84 ILE HG1- 2.80 (# 127:20 Unique 2.77, 3.57 A)
&rst
ixpk= 127, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1310,1311,
&end
#
# 84 ILE HN 84 ILE HG1+ 3.50 (# 128:20 Unique 2.77, 3.57 A)
&rst
ixpk= 128, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1310,1311,
&end
#
# 79 VAL HN 84 ILE HG1- 3.50 (# 129:20 Unique 1.94, 2.42 A)
&rst
ixpk= 129, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1310,1311,
&end
#
# 77 LEU MDY 84 ILE HG1- 3.50 (# 130:20 Unique 2.49, 5.36 A)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1310,1311,
&end
#
# 77 LEU MDY 84 ILE HG1+ 2.80 (# 131:20 Unique 2.49, 5.36 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1310,1311,
&end
#
# 77 LEU MDX 84 ILE HG1- 5.50 (# 132:20 Unique 2.49, 5.36 A)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1310,1311,
&end
#
# 84 ILE HB 84 ILE HG1- 2.80 (# 133:20 Unique 2.43, 2.46 A)
&rst
ixpk= 133, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1310,1311,
&end
#
# 84 ILE HB 84 ILE HG1+ 2.80 (# 134:20 Unique 2.43, 2.46 A)
&rst
ixpk= 134, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1310,1311,
&end
#
# 84 ILE QD1 84 ILE HG1- 2.80 (# 135:20 Unique 2.20, 2.62 A)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1313,1314,1315,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:136 0 AMB 20-1:136 2.80 (# 136:20 Double Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
igr2=1310,1311,1310,1311,
&end
#
# 0 AMB 20-2:137 84 ILE HG1- 2.80 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:138 0 AMB 20-1:138 2.80 (# 138:20 Double Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2=1310,1311,1310,1311,
&end
#
# 84 ILE HN 84 ILE QD1 3.50 (# 139:20 Preassigned 3.83, 4.56 A)
&rst
ixpk= 139, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1313,1314,1315,
&end
#
# 79 VAL HN 84 ILE QD1 3.50 (# 140:20 Unique 2.83, 4.14 A)
&rst
ixpk= 140, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1313,1314,1315,
&end
#
# 84 ILE HA 84 ILE QD1 2.80 (# 141:20 Unique 2.00, 2.87 A)
&rst
ixpk= 141, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1313,1314,1315,
&end
#
# 85 PRO HD+ 84 ILE QD1 3.50 (# 142:20 Unique 3.50, 4.90 A)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1320,1321,
igr2=1313,1314,1315,
&end
#
# 85 PRO HD- 84 ILE QD1 3.50 (# 143:20 Unique 3.50, 4.90 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1320,1321,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:144 84 ILE QD1 5.50 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1271,1272,1271,1272,
igr2=1313,1314,1315,
&end
#
# 84 ILE HB 84 ILE QD1 3.50 (# 145:20 Unique 3.57, 3.92 A)
&rst
ixpk= 145, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:146 84 ILE QD1 3.50 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1265,1266,1265,1266,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:147 84 ILE QD1 2.80 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1268,1269,1310,1311, 193, 194, 195, 197, 198, 199,
igr2=1313,1314,1315,
&end
#
# 84 ILE QG2 84 ILE QD1 2.80 (# 148:20 Unique 2.07, 3.67 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1306,1307,1308,
igr2=1313,1314,1315,
&end
#
# 84 ILE HG1+ 84 ILE QD1 2.80 (# 149:20 Unique 2.20, 2.62 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1310,1311,
igr2=1313,1314,1315,
&end
#
# 77 LEU MDY 84 ILE QD1 4.50 (# 150:20 Unique 3.96, 7.17 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1313,1314,1315,
&end
#
# 84 ILE HN 84 ILE QG2 4.50 (# 152:20 Preassigned 4.42, 4.71 A)
&rst
ixpk= 152, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,1308,
&end
#
# 10 TRP HD1 84 ILE QG2 2.80 (# 154:20 Unique 3.06, 4.33 A)
&rst
ixpk= 154, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1306,1307,1308,
&end
#
# 10 TRP HA 84 ILE QG2 4.50 (# 155:20 Unique 4.06, 5.54 A)
&rst
ixpk= 155, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,1308,
&end
#
# 78 ILE HA 84 ILE QG2 5.50 (# 156:20 Unique 5.92, 6.28 A)
&rst
ixpk= 156, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1306,1307,1308,
&end
#
# 84 ILE HA 84 ILE QG2 2.80 (# 157:20 Unique 2.31, 3.08 A)
&rst
ixpk= 157, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1306,1307,1308,
&end
#
# 77 LEU HA 84 ILE QG2 5.50 (# 158:20 Preassigned 5.54, 6.66 A)
&rst
ixpk= 158, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1306,1307,1308,
&end
#
# 86 GLU HA 84 ILE QG2 4.50 (# 159:20 Preassigned 4.97, 5.85 A)
&rst
ixpk= 159, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,1308,
&end
#
# 85 PRO HD- 84 ILE QG2 3.50 (# 160:20 Unique 3.50, 5.02 A)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1320,1321,
igr2=1306,1307,1308,
&end
#
# 85 PRO HD+ 84 ILE QG2 2.80 (# 161:20 Unique 3.50, 5.02 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1320,1321,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:162 84 ILE QG2 2.80 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 148, 149, 148, 149,
igr2=1306,1307,1308,
&end
#
# 85 PRO HG+ 84 ILE QG2 4.50 (# 163:20 Unique 4.90, 6.45 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1323,1324,
igr2=1306,1307,1308,
&end
#
# 85 PRO HG- 84 ILE QG2 4.50 (# 164:20 Unique 4.90, 6.45 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1323,1324,
igr2=1306,1307,1308,
&end
#
# 84 ILE HB 84 ILE QG2 2.80 (# 165:20 Unique 2.22, 2.63 A)
&rst
ixpk= 165, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1306,1307,1308,
&end
#
# 12 LEU HB+ 84 ILE QG2 4.50 (# 166:20 Unique 3.74, 6.53 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 188, 189,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:167 84 ILE QG2 2.80 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1310,1311, 193, 194, 195, 197, 198, 199,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:168 84 ILE QG2 3.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 193, 194, 195, 197, 198, 199, 174, 175, 176, 178,
179, 180, 191,1361,1362,1363,
igr2=1306,1307,1308,
&end
#
# 84 ILE QD1 84 ILE QG2 2.80 (# 170:20 Preassigned 2.07, 3.67 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1313,1314,1315,
igr2=1306,1307,1308,
&end
#
# 77 LEU MDX 84 ILE QG2 4.50 (# 172:20 Unique 2.00, 5.15 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1306,1307,1308,
&end
#
# 77 LEU MDY 84 ILE QG2 2.80 (# 173:20 Unique 2.00, 5.15 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1306,1307,1308,
&end
#
# 84 ILE HN 83 GLU HA 2.80 (# 174:20 Unique 2.15, 2.18 A)
&rst
ixpk= 174, nxpk= 20, iat=1300,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 GLU HN 83 GLU HA 2.80 (# 175:20 Unique 2.76, 2.84 A)
&rst
ixpk= 175, nxpk= 20, iat=1285,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 GLU HG+ 83 GLU HA 3.50 (# 177:20 Unique 2.28, 2.61 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1292,1293,
&end
#
# 0 AMB 20-2:178 83 GLU HA 2.80 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1289,1290,1289,1290,
&end
#
# 83 GLU HG- 83 GLU HA 2.80 (# 179:20 Unique 2.28, 2.61 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1292,1293,
&end
#
# 84 ILE HG1- 83 GLU HA 3.50 (# 180:20 Unique 3.43, 4.50 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 79 VAL MGX 83 GLU HA 5.50 (# 182:20 Unique 5.07, 7.95 A)
&rst
ixpk= 182, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 78 ILE QD1 83 GLU HA 2.80 (# 183:20 Unique 2.18, 2.75 A)
&rst
ixpk= 183, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1213,1214,1215,
&end
#
# 84 ILE HN 0 AMB 20-1:184 3.50 (# 184:20 Single Ambig)
&rst
ixpk= 184, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1289,1290,1289,1290,
&end
#
# 83 GLU HN 0 AMB 20-1:186 2.80 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1289,1290,1289,1290,
&end
#
# 83 GLU HA 0 AMB 20-1:188 2.80 (# 188:20 Single Ambig)
&rst
ixpk= 188, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 20-2:190 0 AMB 20-1:190 2.80 (# 190:20 Double Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1292,1293,1292,1293,
igr2=1289,1290,1289,1290,
&end
#
# 78 ILE QD1 0 AMB 20-1:192 2.80 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1213,1214,1215,
igr2=1289,1290,1289,1290,
&end
#
# 76 THR MG2 0 AMB 20-1:194 3.50 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1173,1174,1175,
igr2=1289,1290,1289,1290,
&end
#
# 83 GLU HN 82 ARG HA 3.50 (# 196:20 Unique 2.23, 2.30 A)
&rst
ixpk= 196, nxpk= 20, iat=1285,1263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ARG HN 82 ARG HA 3.50 (# 197:20 Unique 2.81, 2.88 A)
&rst
ixpk= 197, nxpk= 20, iat=1261,1263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:198 82 ARG HA 3.50 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:199 82 ARG HA 2.80 (# 199:20 Single Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1265,1266,1289,1290,
&end
#
# 82 ARG HB- 82 ARG HA 2.80 (# 200:20 Unique 2.31, 2.62 A)
&rst
ixpk= 200, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1265,1266,
&end
#
# 82 ARG HG+ 82 ARG HA 2.80 (# 201:20 Unique 2.42, 3.23 A)
&rst
ixpk= 201, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1268,1269,
&end
#
# 82 ARG HG- 82 ARG HA 3.50 (# 202:20 Unique 2.42, 3.23 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1269,
&end
#
# 42 GLU HN 42 GLU HB- 2.80 (# 203:20 Unique 2.21, 3.16 A)
&rst
ixpk= 203, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:204 0 AMB 20-1:204 4.50 (# 204:20 Double Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 667, 748,
igr2= 656, 657, 656, 657,
&end
#
# 83 GLU HN 0 AMB 20-1:205 2.80 (# 205:20 Single Ambig)
&rst
ixpk= 205, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1265,1266,1265,1266,
&end
#
# 82 ARG HN 0 AMB 20-1:207 2.80 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1265,1266,1265,1266,
&end
#
# 0 AMB 20-2:209 0 AMB 20-1:209 2.80 (# 209:20 Double Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1263, 654,
igr2=1265,1266,1265,1266, 656, 657,
&end
#
# 0 AMB 20-2:210 0 AMB 20-1:210 2.80 (# 210:20 Double Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1271,1272,1271,1272,1271,1272,
igr2=1265,1266,1265,1266,1265,1266,
&end
#
# 0 AMB 20-2:212 0 AMB 20-1:212 2.80 (# 212:20 Double Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
igr2=1265,1266,1265,1266,1265,1266,
&end
#
# 83 GLU HN 82 ARG HG+ 3.50 (# 214:20 Unique 3.11, 4.15 A)
&rst
ixpk= 214, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1268,1269,
&end
#
# 83 GLU HN 82 ARG HG- 3.50 (# 215:20 Unique 3.11, 4.15 A)
&rst
ixpk= 215, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1268,1269,
&end
#
# 82 ARG HN 82 ARG HG+ 3.50 (# 216:20 Unique 2.80, 3.69 A)
&rst
ixpk= 216, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1268,1269,
&end
#
# 82 ARG HN 82 ARG HG- 3.50 (# 217:20 Unique 2.80, 3.69 A)
&rst
ixpk= 217, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 2.80 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1263, 21,
igr2=1268,1269, 38, 39,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 2.80 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1263, 21,
igr2=1268,1269, 38, 39,
&end
#
# 3 ARG HA 3 ARG HG- 2.80 (# 220:20 Unique 2.30, 3.27 A)
&rst
ixpk= 220, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 38, 39,
&end
#
# 0 AMB 20-2:222 0 AMB 20-1:222 3.50 (# 222:20 Double Ambig)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 21,1263,
igr2= 41, 42,1271,1272,
&end
#
# 3 ARG HA 3 ARG HD+ 2.80 (# 223:20 Unique 2.15, 2.99 A)
&rst
ixpk= 223, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 41, 42,
&end
#
# 0 AMB 20-2:225 0 AMB 20-1:225 2.80 (# 225:20 Double Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1265,1266,1265,1266,1265,1266,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:226 0 AMB 20-1:226 2.80 (# 226:20 Double Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1268,1269,1268,1269, 38, 39,
igr2=1271,1272,1271,1272, 41, 42,
&end
#
# 0 AMB 20-2:227 0 AMB 20-1:227 2.80 (# 227:20 Double Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1268,1269, 38, 39,
igr2=1271,1272,1271,1272, 41, 42,
&end
#
# 0 AMB 20-2:228 0 AMB 20-1:228 5.50 (# 228:20 Double Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 80 ASP HN 81 ASN HA 5.50 (# 229:20 Unique 4.87, 4.98 A)
&rst
ixpk= 229, nxpk= 20, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ASN HN 81 ASN HA 2.80 (# 230:20 Unique 2.27, 2.27 A)
&rst
ixpk= 230, nxpk= 20, iat=1247,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ARG HN 81 ASN HA 3.50 (# 231:20 Unique 2.48, 2.70 A)
&rst
ixpk= 231, nxpk= 20, iat=1261,1249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HB+ 81 ASN HA 2.80 (# 232:20 Unique 2.34, 2.74 A)
&rst
ixpk= 232, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1251,1252,
&end
#
# 81 ASN HB- 81 ASN HA 2.80 (# 233:20 Unique 2.34, 2.74 A)
&rst
ixpk= 233, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1251,1252,
&end
#
# 0 AMB 20-2:234 81 ASN HA 5.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
&end
#
# 78 ILE QG2 81 ASN HA 2.80 (# 235:20 Unique 2.37, 3.06 A)
&rst
ixpk= 235, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1206,1207,1208,
&end
#
# 81 ASN HN 81 ASN HB+ 3.50 (# 236:20 Unique 3.08, 3.70 A)
&rst
ixpk= 236, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1251,1252,
&end
#
# 81 ASN HN 81 ASN HB- 3.50 (# 237:20 Unique 3.08, 3.70 A)
&rst
ixpk= 237, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1251,1252,
&end
#
# 81 ASN HD2- 81 ASN HB+ 5.50 (# 238:20 Unique 2.11, 3.26 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1256,1257,
igr2=1251,1252,
&end
#
# 81 ASN HD2- 81 ASN HB- 3.50 (# 239:20 Unique 2.11, 3.26 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1256,1257,
igr2=1251,1252,
&end
#
# 81 ASN HA 81 ASN HB+ 2.80 (# 240:20 Unique 2.34, 2.74 A)
&rst
ixpk= 240, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1251,1252,
&end
#
# 81 ASN HA 81 ASN HB- 2.80 (# 241:20 Unique 2.34, 2.74 A)
&rst
ixpk= 241, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:242 0 AMB 20-1:242 5.50 (# 242:20 Double Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1206,1207,1208,1204,
igr2=1251,1252,1251,1252,
&end
#
# 0 AMB 20-2:243 81 ASN HB- 5.50 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1206,1207,1208,1204,
igr2=1251,1252,
&end
#
# 80 ASP HN 80 ASP HA 2.80 (# 244:20 Unique 2.27, 2.28 A)
&rst
ixpk= 244, nxpk= 20, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 ASN HN 80 ASP HA 3.50 (# 245:20 Unique 2.82, 2.90 A)
&rst
ixpk= 245, nxpk= 20, iat=1247,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASP HB+ 80 ASP HA 2.80 (# 247:20 Unique 2.53, 2.80 A)
&rst
ixpk= 247, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1239,1240,
&end
#
# 80 ASP HB- 80 ASP HA 2.80 (# 248:20 Preassigned 2.53, 2.80 A)
&rst
ixpk= 248, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1239,1240,
&end
#
# 0 AMB 20-2:250 80 ASP HA 5.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1206,1207,1208,1204,
&end
#
# 80 ASP HN 80 ASP HB+ 5.50 (# 251:20 Unique 2.96, 3.44 A)
&rst
ixpk= 251, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1239,1240,
&end
#
# 80 ASP HN 80 ASP HB- 4.50 (# 252:20 Unique 2.96, 3.44 A)
&rst
ixpk= 252, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1239,1240,
&end
#
# 80 ASP HA 80 ASP HB+ 2.80 (# 253:20 Unique 2.53, 2.80 A)
&rst
ixpk= 253, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1239,1240,
&end
#
# 80 ASP HA 80 ASP HB- 2.80 (# 254:20 Unique 2.53, 2.80 A)
&rst
ixpk= 254, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1239,1240,
&end
#
# 80 ASP HN 79 VAL HA 2.80 (# 255:20 Unique 2.14, 2.18 A)
&rst
ixpk= 255, nxpk= 20, iat=1235,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:256 79 VAL HA 3.50 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1247, 905,
&end
#
# 79 VAL HN 79 VAL HA 2.80 (# 257:20 Unique 2.94, 2.95 A)
&rst
ixpk= 257, nxpk= 20, iat=1219,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 CYS HA 79 VAL HA 2.80 (# 258:20 Unique 2.04, 2.50 A)
&rst
ixpk= 258, nxpk= 20, iat= 896,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:259 79 VAL HA 2.80 (# 259:20 Single Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1223, 898, 899,
&end
#
# 79 VAL MGY 79 VAL HA 2.80 (# 260:20 Unique 2.30, 3.17 A)
&rst
ixpk= 260, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL MGX 79 VAL HA 2.80 (# 261:20 Unique 2.30, 3.17 A)
&rst
ixpk= 261, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:262 79 VAL HA 3.50 (# 262:20 Single Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1206,1207,1208,1204,
&end
#
# 79 VAL HN 79 VAL HB 2.80 (# 263:20 Unique 2.54, 2.79 A)
&rst
ixpk= 263, nxpk= 20, iat=1219,1223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 VAL HA 79 VAL HB 3.50 (# 264:20 Unique 2.42, 2.93 A)
&rst
ixpk= 264, nxpk= 20, iat=1221,1223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ILE HG1+ 79 VAL HB 3.50 (# 265:20 Unique 1.98, 2.87 A)
&rst
ixpk= 265, nxpk= 20, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 0 AMB 20-2:266 79 VAL HB 4.50 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 193, 194, 195, 197, 198, 199, 191,
&end
#
# 0 AMB 20-2:267 79 VAL HB 2.80 (# 267:20 Single Ambig)
&rst
ixpk= 267, nxpk= 20, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL MGX 79 VAL HB 2.80 (# 268:20 Unique 2.22, 2.63 A)
&rst
ixpk= 268, nxpk= 20, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HN 79 VAL MGY 2.80 (# 269:20 Unique 2.01, 4.17 A)
&rst
ixpk= 269, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HN 79 VAL MGX 3.50 (# 270:20 Unique 2.01, 4.17 A)
&rst
ixpk= 270, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:271 79 VAL MGY 4.50 (# 271:20 Single Ambig)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 905,1247,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 58 ASP HN 79 VAL MGY 5.50 (# 272:20 Unique 3.26, 6.17 A)
&rst
ixpk= 272, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 78 ILE HN 79 VAL MGX 4.50 (# 273:20 Unique 3.81, 6.10 A)
&rst
ixpk= 273, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:274 79 VAL MGX 4.50 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 905,1247,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:275 79 VAL MGY 3.50 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1219, 875,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:276 79 VAL MGX 2.80 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1219, 875,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 59 CYS HA 79 VAL MGY 3.50 (# 277:20 Unique 2.00, 4.41 A)
&rst
ixpk= 277, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 59 CYS HA 79 VAL MGX 3.50 (# 278:20 Unique 2.00, 4.41 A)
&rst
ixpk= 278, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL HA 79 VAL MGY 2.80 (# 279:20 Unique 2.30, 3.17 A)
&rst
ixpk= 279, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL HA 79 VAL MGX 2.80 (# 280:20 Unique 2.30, 3.17 A)
&rst
ixpk= 280, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:282 79 VAL MGY 2.80 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1271,1272,1271,1272, 869, 870,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HB- 79 VAL MGY 3.50 (# 283:20 Unique 2.21, 5.31 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1239,1240,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 57 HIS HB- 79 VAL MGY 2.80 (# 284:20 Preassigned 2.99, 5.62 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 869, 870,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 84 ILE HB 79 VAL MGX 3.50 (# 285:20 Unique 2.83, 5.39 A)
&rst
ixpk= 285, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:286 79 VAL MGY 2.80 (# 286:20 Single Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 898, 899,1223,1268,1269,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:287 79 VAL MGX 2.80 (# 287:20 Single Ambig)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 898, 899,1223,1268,1269,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 59 CYS HB- 79 VAL MGY 3.50 (# 288:20 Unique 2.01, 5.06 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 898, 899,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:289 79 VAL MGY 4.50 (# 289:20 Single Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1265,1266,1265,1266,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 59 CYS HB- 79 VAL MGX 3.50 (# 290:20 Unique 2.01, 5.06 A)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 898, 899,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 77 LEU MDY 79 VAL MGX 2.80 (# 291:20 Unique 2.00, 5.33 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 54 ILE QG2 79 VAL MGY 5.50 (# 292:20 Unique 3.15, 7.15 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 831, 832, 833,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:293 78 ILE HA 3.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1300, 905,1247,
&end
#
# 79 VAL HN 78 ILE HA 2.80 (# 294:20 Unique 2.14, 2.17 A)
&rst
ixpk= 294, nxpk= 20, iat=1219,1202, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 THR HB 78 ILE HA 5.50 (# 295:20 Preassigned 5.75, 5.97 A)
&rst
ixpk= 295, nxpk= 20, iat=1171,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ILE HG1- 78 ILE HA 3.50 (# 296:20 Preassigned 2.76, 3.59 A)
&rst
ixpk= 296, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 78 ILE HG1- 78 ILE HA 3.50 (# 297:20 Unique 3.10, 3.41 A)
&rst
ixpk= 297, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 0 AMB 20-2:298 78 ILE HA 3.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1210,1211,1188,
&end
#
# 78 ILE QD1 78 ILE HA 3.50 (# 299:20 Unique 2.00, 2.84 A)
&rst
ixpk= 299, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1213,1214,1215,
&end
#
# 0 AMB 20-2:300 78 ILE HA 3.50 (# 300:20 Single Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1206,1207,1208,1204,
&end
#
# 78 ILE HN 78 ILE HG1- 5.50 (# 301:20 Unique 2.41, 3.39 A)
&rst
ixpk= 301, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 78 ILE HN 78 ILE HG1+ 5.50 (# 302:20 Unique 2.41, 3.39 A)
&rst
ixpk= 302, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 79 VAL HN 78 ILE HG1- 5.50 (# 303:20 Preassigned 5.17, 5.42 A)
&rst
ixpk= 303, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 60 TYR HE 78 ILE HG1- 5.50 (# 304:20 Unique 2.75, 7.31 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 920,
igr2=1210,1211,
&end
#
# 60 TYR HE 78 ILE HG1+ 5.50 (# 305:20 Unique 2.75, 7.31 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 920,
igr2=1210,1211,
&end
#
# 78 ILE HA 78 ILE HG1- 3.50 (# 306:20 Unique 3.10, 3.41 A)
&rst
ixpk= 306, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1210,1211,
&end
#
# 83 GLU HA 78 ILE HG1- 4.50 (# 307:20 Unique 4.46, 4.82 A)
&rst
ixpk= 307, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 78 ILE HA 78 ILE HG1+ 4.50 (# 308:20 Unique 3.10, 3.41 A)
&rst
ixpk= 308, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 83 GLU HA 78 ILE HG1+ 4.50 (# 309:20 Unique 4.46, 4.82 A)
&rst
ixpk= 309, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 62 LYS HD+ 78 ILE HG1- 5.50 (# 310:20 Unique 2.04, 3.40 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 955, 956,
igr2=1210,1211,
&end
#
# 76 THR MG2 78 ILE HG1+ 4.50 (# 311:20 Unique 3.18, 4.95 A)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1173,1174,1175,
igr2=1210,1211,
&end
#
# 76 THR MG2 78 ILE HG1- 4.50 (# 312:20 Unique 3.18, 4.95 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1173,1174,1175,
igr2=1210,1211,
&end
#
# 78 ILE HB 78 ILE HG1- 2.80 (# 313:20 Unique 2.43, 2.46 A)
&rst
ixpk= 313, nxpk= 20, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1210,1211,
&end
#
# 78 ILE HB 78 ILE HG1+ 2.80 (# 314:20 Unique 2.43, 2.46 A)
&rst
ixpk= 314, nxpk= 20, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:315 78 ILE HG1- 2.80 (# 315:20 Single Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1206,1207,1208,1204,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:316 0 AMB 20-1:316 2.80 (# 316:20 Double Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1206,1207,1208,1204,
igr2=1210,1211,1210,1211,
&end
#
# 78 ILE QD1 78 ILE HG1- 2.80 (# 317:20 Unique 2.21, 2.62 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1213,1214,1215,
igr2=1210,1211,
&end
#
# 78 ILE QD1 78 ILE HG1+ 2.80 (# 318:20 Unique 2.21, 2.62 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1213,1214,1215,
igr2=1210,1211,
&end
#
# 84 ILE HN 78 ILE QD1 3.50 (# 319:20 Unique 2.81, 3.91 A)
&rst
ixpk= 319, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1213,1214,1215,
&end
#
# 78 ILE HN 78 ILE QD1 3.50 (# 320:20 Unique 3.56, 4.45 A)
&rst
ixpk= 320, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1213,1214,1215,
&end
#
# 79 VAL HN 78 ILE QD1 4.50 (# 321:20 Unique 3.88, 4.81 A)
&rst
ixpk= 321, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1213,1214,1215,
&end
#
# 77 LEU HN 78 ILE QD1 5.50 (# 322:20 Unique 4.42, 5.55 A)
&rst
ixpk= 322, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 60 TYR HE 78 ILE QD1 2.80 (# 323:20 Unique 4.66, 9.09 A)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 915, 920,
igr2=1213,1214,1215,
&end
#
# 60 TYR HD 78 ILE QD1 5.50 (# 324:20 Unique 5.91, 8.05 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 913, 922,
igr2=1213,1214,1215,
&end
#
# 78 ILE HA 78 ILE QD1 2.80 (# 326:20 Unique 2.00, 2.84 A)
&rst
ixpk= 326, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1213,1214,1215,
&end
#
# 83 GLU HA 78 ILE QD1 2.80 (# 327:20 Unique 2.18, 2.75 A)
&rst
ixpk= 327, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1213,1214,1215,
&end
#
# 77 LEU HA 78 ILE QD1 3.50 (# 328:20 Unique 4.51, 5.44 A)
&rst
ixpk= 328, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1213,1214,1215,
&end
#
# 76 THR HB 78 ILE QD1 3.50 (# 329:20 Unique 2.96, 4.32 A)
&rst
ixpk= 329, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1213,1214,1215,
&end
#
# 62 LYS HE- 78 ILE QD1 5.50 (# 330:20 Unique 2.16, 5.24 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 958, 959,
igr2=1213,1214,1215,
&end
#
# 62 LYS HE+ 78 ILE QD1 5.50 (# 331:20 Unique 2.16, 5.24 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 958, 959,
igr2=1213,1214,1215,
&end
#
# 83 GLU HG+ 78 ILE QD1 3.50 (# 332:20 Unique 2.87, 4.04 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1292,1293,
igr2=1213,1214,1215,
&end
#
# 83 GLU HG- 78 ILE QD1 2.80 (# 333:20 Preassigned 2.87, 4.04 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1292,1293,
igr2=1213,1214,1215,
&end
#
# 0 AMB 20-2:334 78 ILE QD1 3.50 (# 334:20 Single Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1289,1290,1289,1290,
igr2=1213,1214,1215,
&end
#
# 62 LYS HD+ 78 ILE QD1 2.80 (# 335:20 Unique 2.00, 3.97 A)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 955, 956,
igr2=1213,1214,1215,
&end
#
# 62 LYS HD+ 78 ILE QD1 3.50 (# 336:20 Unique 2.00, 3.97 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 955, 956,
igr2=1213,1214,1215,
&end
#
# 0 AMB 20-2:338 78 ILE QD1 3.50 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 952, 953, 952, 953,
igr2=1213,1214,1215,
&end
#
# 76 THR MG2 78 ILE QD1 2.80 (# 339:20 Unique 2.01, 3.91 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1173,1174,1175,
igr2=1213,1214,1215,
&end
#
# 78 ILE HG1- 78 ILE QD1 2.80 (# 340:20 Unique 2.21, 2.62 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1210,1211,
igr2=1213,1214,1215,
&end
#
# 78 ILE HG1+ 78 ILE QD1 2.80 (# 341:20 Unique 2.21, 2.62 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1210,1211,
igr2=1213,1214,1215,
&end
#
# 81 ASN HN 78 ILE QG2 3.50 (# 342:20 Preassigned 2.53, 3.77 A)
&rst
ixpk= 342, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1206,1207,1208,
&end
#
# 80 ASP HN 78 ILE QG2 5.50 (# 343:20 Unique 4.24, 5.64 A)
&rst
ixpk= 343, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1206,1207,1208,
&end
#
# 78 ILE HN 78 ILE QG2 3.50 (# 344:20 Unique 4.37, 4.63 A)
&rst
ixpk= 344, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1206,1207,1208,
&end
#
# 79 VAL HN 78 ILE QG2 3.50 (# 345:20 Unique 3.02, 4.01 A)
&rst
ixpk= 345, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1206,1207,1208,
&end
#
# 82 ARG HN 78 ILE QG2 3.50 (# 346:20 Unique 1.96, 3.04 A)
&rst
ixpk= 346, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1206,1207,1208,
&end
#
# 60 TYR HE 78 ILE QG2 2.80 (# 347:20 Unique 2.25, 6.85 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 915, 920,
igr2=1206,1207,1208,
&end
#
# 60 TYR HD 78 ILE QG2 4.50 (# 348:20 Unique 3.69, 6.09 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 922,
igr2=1206,1207,1208,
&end
#
# 82 ARG HA 78 ILE QG2 4.50 (# 350:20 Unique 3.72, 4.76 A)
&rst
ixpk= 350, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1206,1207,1208,
&end
#
# 78 ILE HA 78 ILE QG2 3.50 (# 351:20 Unique 2.39, 3.10 A)
&rst
ixpk= 351, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1206,1207,1208,
&end
#
# 77 LEU HA 78 ILE QG2 5.50 (# 352:20 Unique 6.35, 6.58 A)
&rst
ixpk= 352, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1206,1207,1208,
&end
#
# 81 ASN HA 78 ILE QG2 2.80 (# 353:20 Unique 2.37, 3.06 A)
&rst
ixpk= 353, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1206,1207,1208,
&end
#
# 81 ASN HB- 78 ILE QG2 4.50 (# 354:20 Unique 4.64, 5.59 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1251,1252,
igr2=1206,1207,1208,
&end
#
# 81 ASN HB+ 78 ILE QG2 4.50 (# 355:20 Unique 4.64, 5.59 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1251,1252,
igr2=1206,1207,1208,
&end
#
# 0 AMB 20-2:356 78 ILE QG2 4.50 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 949, 950,1292,1293,
igr2=1206,1207,1208,
&end
#
# 0 AMB 20-2:357 78 ILE QG2 4.50 (# 357:20 Single Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1289,1290,1289,1290,
igr2=1206,1207,1208,
&end
#
# 0 AMB 20-2:358 78 ILE QG2 3.50 (# 358:20 Single Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 909, 910, 955, 956,1268,1269,1268,1269,
igr2=1206,1207,1208,
&end
#
# 0 AMB 20-2:359 78 ILE QG2 5.50 (# 359:20 Single Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 952, 953, 952, 953,
igr2=1206,1207,1208,
&end
#
# 78 ILE HG1- 78 ILE QG2 2.80 (# 360:20 Unique 2.32, 3.48 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1210,1211,
igr2=1206,1207,1208,
&end
#
# 78 ILE HG1+ 78 ILE QG2 2.80 (# 361:20 Unique 2.32, 3.48 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1210,1211,
igr2=1206,1207,1208,
&end
#
# 62 LYS HN 77 LEU HA 5.50 (# 362:20 Unique 3.60, 4.08 A)
&rst
ixpk= 362, nxpk= 20, iat= 945,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ILE HN 77 LEU HA 2.80 (# 363:20 Unique 2.14, 2.15 A)
&rst
ixpk= 363, nxpk= 20, iat=1200,1183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:365 77 LEU HA 2.80 (# 365:20 Single Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1188, 936, 937,
&end
#
# 77 LEU HB+ 77 LEU HA 3.50 (# 366:20 Unique 2.38, 2.77 A)
&rst
ixpk= 366, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1185,1186,
&end
#
# 77 LEU MDX 77 LEU HA 2.80 (# 367:20 Unique 2.03, 3.94 A)
&rst
ixpk= 367, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB- 77 LEU HA 3.50 (# 368:20 Unique 2.38, 2.77 A)
&rst
ixpk= 368, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1185,1186,
&end
#
# 77 LEU HN 77 LEU HB+ 3.50 (# 369:20 Unique 2.26, 2.56 A)
&rst
ixpk= 369, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1185,1186,
&end
#
# 77 LEU HN 77 LEU HB- 5.50 (# 370:20 Unique 2.26, 2.56 A)
&rst
ixpk= 370, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 77 LEU HA 77 LEU HB+ 5.50 (# 371:20 Unique 2.38, 2.77 A)
&rst
ixpk= 371, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 77 LEU HA 77 LEU HB- 5.50 (# 372:20 Unique 2.38, 2.77 A)
&rst
ixpk= 372, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 84 ILE HB 77 LEU HB+ 5.50 (# 373:20 Unique 1.99, 3.00 A)
&rst
ixpk= 373, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:374 0 AMB 20-1:374 2.80 (# 374:20 Double Ambig)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1188, 936, 937,
igr2=1185,1186,1185,1186,
&end
#
# 0 AMB 20-2:375 77 LEU HB- 3.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1188, 936, 937,
igr2=1185,1186,
&end
#
# 77 LEU MDX 77 LEU HB- 3.50 (# 378:20 Unique 2.10, 3.26 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1185,1186,
&end
#
# 77 LEU MDY 77 LEU HB+ 2.80 (# 379:20 Unique 2.10, 3.26 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1185,1186,
&end
#
# 77 LEU MDY 77 LEU HB- 3.50 (# 380:20 Unique 2.10, 3.26 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,
igr2=1185,1186,
&end
#
# 77 LEU MDY 77 LEU HG 2.80 (# 383:20 Unique 2.21, 2.63 A)
&rst
ixpk= 383, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU MDX 77 LEU HG 2.80 (# 384:20 Unique 2.21, 2.63 A)
&rst
ixpk= 384, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 60 TYR HN 77 LEU MDX 3.50 (# 385:20 Unique 2.39, 5.10 A)
&rst
ixpk= 385, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 78 ILE HN 77 LEU MDX 3.50 (# 386:20 Unique 2.19, 4.59 A)
&rst
ixpk= 386, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 79 VAL HN 77 LEU MDX 5.50 (# 387:20 Unique 3.32, 5.74 A)
&rst
ixpk= 387, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 52 PHE HZ 77 LEU MDX 3.50 (# 388:20 Unique 2.02, 5.32 A)
&rst
ixpk= 388, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 52 PHE HE 77 LEU MDX 3.50 (# 389:20 Unique 3.07, 6.45 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 808,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:390 77 LEU MDX 5.50 (# 390:20 Single Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 896, 350,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 61 ILE HA 77 LEU MDX 3.50 (# 391:20 Unique 3.54, 6.13 A)
&rst
ixpk= 391, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HA 77 LEU MDX 2.80 (# 392:20 Unique 2.03, 3.94 A)
&rst
ixpk= 392, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:393 77 LEU MDX 5.50 (# 393:20 Single Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 148, 149, 148, 149,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:394 77 LEU MDX 2.80 (# 394:20 Single Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 898, 899,1310,1311, 193, 194, 195, 197, 198, 199,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 61 ILE HG1- 77 LEU MDX 2.80 (# 395:20 Preassigned 2.06, 5.44 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 936, 937,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 84 ILE QG2 77 LEU MDX 3.50 (# 396:20 Preassigned 2.00, 5.15 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1306,1307,1308,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 59 CYS HB- 77 LEU MDX 3.50 (# 397:20 Unique 2.28, 5.17 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 898, 899,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:398 77 LEU MDX 3.50 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1310,1311, 932, 933, 934,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HG 77 LEU MDX 3.50 (# 399:20 Unique 2.21, 2.63 A)
&rst
ixpk= 399, nxpk= 20, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB+ 77 LEU MDX 2.80 (# 400:20 Unique 2.10, 3.26 A)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1185,1186,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB- 77 LEU MDX 2.80 (# 401:20 Unique 2.10, 3.26 A)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1185,1186,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HN 77 LEU MDY 5.50 (# 402:20 Unique 4.23, 5.21 A)
&rst
ixpk= 402, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 10 TRP HD1 77 LEU MDY 5.50 (# 403:20 Unique 2.68, 5.80 A)
&rst
ixpk= 403, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:404 77 LEU MDY 2.80 (# 404:20 Single Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 148, 149, 148, 149,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 21 ILE HB 77 LEU MDY 5.50 (# 405:20 Unique 3.85, 5.85 A)
&rst
ixpk= 405, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 84 ILE HB 77 LEU MDY 3.50 (# 406:20 Unique 2.55, 4.35 A)
&rst
ixpk= 406, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:407 77 LEU MDY 4.50 (# 407:20 Single Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 930, 949, 950,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:408 77 LEU MDY 4.50 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 898, 899,1310,1311, 193, 194, 195, 197, 198, 199,
188, 189,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 84 ILE QG2 77 LEU MDY 2.80 (# 409:20 Unique 2.00, 5.15 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1306,1307,1308,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:410 77 LEU MDY 4.50 (# 410:20 Single Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1310,1311, 932, 933, 934,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:411 77 LEU MDY 2.80 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 936, 937,1188, 939, 940, 941,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB+ 77 LEU MDY 2.80 (# 412:20 Unique 2.10, 3.26 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1185,1186,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB- 77 LEU MDY 3.50 (# 413:20 Unique 2.10, 3.26 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1185,1186,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HN 76 THR HA 4.50 (# 414:20 Unique 2.15, 2.18 A)
&rst
ixpk= 414, nxpk= 20, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 THR MG2 76 THR HA 4.50 (# 415:20 Unique 2.39, 3.12 A)
&rst
ixpk= 415, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1173,1174,1175,
&end
#
# 62 LYS HN 76 THR HB 5.50 (# 416:20 Unique 3.37, 3.66 A)
&rst
ixpk= 416, nxpk= 20, iat= 945,1171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 THR HN 76 THR HB 3.50 (# 417:20 Unique 2.49, 2.55 A)
&rst
ixpk= 417, nxpk= 20, iat=1167,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 LEU HN 76 THR HB 4.50 (# 419:20 Unique 3.88, 4.10 A)
&rst
ixpk= 419, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 THR HA 76 THR HB 3.50 (# 421:20 Unique 3.02, 3.02 A)
&rst
ixpk= 421, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 GLU HG+ 76 THR HB 4.50 (# 423:20 Unique 4.21, 4.87 A)
&rst
ixpk= 423, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1292,1293,
&end
#
# 0 AMB 20-2:424 76 THR HB 3.50 (# 424:20 Single Ambig)
&rst
ixpk= 424, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 949, 950,1292,1293,
&end
#
# 62 LYS HB- 76 THR HB 3.50 (# 425:20 Unique 2.56, 4.58 A)
&rst
ixpk= 425, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 949, 950,
&end
#
# 76 THR MG2 76 THR HB 2.80 (# 427:20 Unique 2.30, 2.64 A)
&rst
ixpk= 427, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1173,1174,1175,
&end
#
# 78 ILE HG1+ 76 THR HB 4.50 (# 428:20 Unique 3.53, 4.37 A)
&rst
ixpk= 428, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1210,1211,
&end
#
# 78 ILE QD1 76 THR HB 3.50 (# 430:20 Unique 2.96, 4.32 A)
&rst
ixpk= 430, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1213,1214,1215,
&end
#
# 62 LYS HN 76 THR MG2 4.50 (# 431:20 Unique 4.54, 5.50 A)
&rst
ixpk= 431, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1173,1174,1175,
&end
#
# 76 THR HN 76 THR MG2 4.50 (# 432:20 Unique 4.36, 4.61 A)
&rst
ixpk= 432, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1173,1174,1175,
&end
#
# 84 ILE HN 76 THR MG2 2.80 (# 433:20 Unique 2.99, 3.45 A)
&rst
ixpk= 433, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1173,1174,1175,
&end
#
# 78 ILE HN 76 THR MG2 4.50 (# 434:20 Preassigned 4.25, 5.59 A)
&rst
ixpk= 434, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1173,1174,1175,
&end
#
# 77 LEU HN 76 THR MG2 3.50 (# 436:20 Unique 2.37, 3.28 A)
&rst
ixpk= 436, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1173,1174,1175,
&end
#
# 75 HIS HA 76 THR MG2 5.50 (# 437:20 Unique 6.44, 6.62 A)
&rst
ixpk= 437, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1173,1174,1175,
&end
#
# 76 THR HA 76 THR MG2 2.80 (# 438:20 Unique 2.39, 3.12 A)
&rst
ixpk= 438, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1173,1174,1175,
&end
#
# 83 GLU HA 76 THR MG2 4.50 (# 440:20 Unique 3.23, 3.94 A)
&rst
ixpk= 440, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1173,1174,1175,
&end
#
# 76 THR HB 76 THR MG2 2.80 (# 441:20 Unique 2.30, 2.64 A)
&rst
ixpk= 441, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1173,1174,1175,
&end
#
# 83 GLU HG+ 76 THR MG2 2.80 (# 442:20 Unique 2.07, 3.14 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1292,1293,
igr2=1173,1174,1175,
&end
#
# 76 THR HN 75 HIS HA 2.80 (# 444:20 Unique 2.14, 2.16 A)
&rst
ixpk= 444, nxpk= 20, iat=1167,1152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 HIS HN 75 HIS HA 3.50 (# 445:20 Preassigned 2.76, 2.77 A)
&rst
ixpk= 445, nxpk= 20, iat=1150,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 VAL HN 75 HIS HA 4.50 (# 446:20 Unique 3.42, 3.74 A)
&rst
ixpk= 446, nxpk= 20, iat= 977,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 HIS HD2 75 HIS HA 4.50 (# 447:20 Unique 2.38, 3.68 A)
&rst
ixpk= 447, nxpk= 20, iat=1163,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ALA HA 75 HIS HA 3.50 (# 448:20 Unique 2.35, 2.79 A)
&rst
ixpk= 448, nxpk= 20, iat= 969,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 HIS HB+ 75 HIS HA 2.80 (# 449:20 Unique 2.39, 2.76 A)
&rst
ixpk= 449, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 75 HIS HB- 75 HIS HA 2.80 (# 450:20 Unique 2.39, 2.76 A)
&rst
ixpk= 450, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 0 AMB 20-2:451 75 HIS HA 4.50 (# 451:20 Single Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 983, 984, 985, 987, 988, 989,1137,1138,1139,
&end
#
# 63 ALA MB 75 HIS HA 5.50 (# 452:20 Unique 3.56, 4.92 A)
&rst
ixpk= 452, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 971, 972, 973,
&end
#
# 75 HIS HN 75 HIS HB+ 3.50 (# 453:20 Unique 2.28, 3.02 A)
&rst
ixpk= 453, nxpk= 20, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1154,1155,
&end
#
# 75 HIS HN 75 HIS HB- 5.50 (# 454:20 Unique 2.28, 3.02 A)
&rst
ixpk= 454, nxpk= 20, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1154,1155,
&end
#
# 76 THR HN 75 HIS HB- 5.50 (# 455:20 Unique 3.59, 4.08 A)
&rst
ixpk= 455, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1154,1155,
&end
#
# 0 AMB 20-2:456 75 HIS HB- 5.50 (# 456:20 Single Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163, 159,
igr2=1154,1155,
&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=1163, 159,
igr2=1154,1155,1154,1155,
&end
#
# 75 HIS HA 75 HIS HB+ 3.50 (# 458:20 Unique 2.39, 2.76 A)
&rst
ixpk= 458, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1154,1155,
&end
#
# 75 HIS HA 75 HIS HB- 3.50 (# 459:20 Unique 2.39, 2.76 A)
&rst
ixpk= 459, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1154,1155,
&end
#
# 61 ILE QG2 75 HIS HB+ 3.50 (# 460:20 Unique 2.00, 3.52 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 932, 933, 934,
igr2=1154,1155,
&end
#
# 61 ILE QG2 75 HIS HB- 2.80 (# 461:20 Unique 2.00, 3.52 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 932, 933, 934,
igr2=1154,1155,
&end
#
# 23 LEU MDY 75 HIS HB+ 5.50 (# 462:20 Unique 2.37, 5.21 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 373, 374, 375, 377, 378, 379,
igr2=1154,1155,
&end
#
# 23 LEU MDY 75 HIS HB- 3.50 (# 463:20 Unique 2.37, 5.21 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 373, 374, 375, 377, 378, 379,
igr2=1154,1155,
&end
#
# 0 AMB 20-2:464 74 ILE HA 3.50 (# 464:20 Single Ambig)
&rst
ixpk= 464, nxpk= 20, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1150,1131,
&end
#
# 73 ILE HN 74 ILE HA 5.50 (# 465:20 Unique 5.07, 5.41 A)
&rst
ixpk= 465, nxpk= 20, iat=1112,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HB 74 ILE HA 5.50 (# 466:20 Unique 4.64, 5.18 A)
&rst
ixpk= 466, nxpk= 20, iat= 981,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HB 74 ILE HA 3.50 (# 467:20 Unique 3.02, 3.02 A)
&rst
ixpk= 467, nxpk= 20, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ILE HG1- 74 ILE HA 3.50 (# 469:20 Unique 3.08, 3.45 A)
&rst
ixpk= 469, nxpk= 20, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1141,1142,
&end
#
# 74 ILE HG1+ 74 ILE HA 4.50 (# 470:20 Unique 3.08, 3.45 A)
&rst
ixpk= 470, nxpk= 20, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1141,1142,
&end
#
# 74 ILE QG2 74 ILE HA 2.80 (# 471:20 Unique 2.26, 3.05 A)
&rst
ixpk= 471, nxpk= 20, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1137,1138,1139,
&end
#
# 74 ILE QD1 74 ILE HA 3.50 (# 472:20 Unique 2.00, 2.94 A)
&rst
ixpk= 472, nxpk= 20, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1144,1145,1146,
&end
#
# 54 ILE HN 54 ILE HB 3.50 (# 473:20 Unique 2.51, 2.68 A)
&rst
ixpk= 473, nxpk= 20, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ILE HA 54 ILE HB 5.50 (# 474:20 Unique 2.43, 2.72 A)
&rst
ixpk= 474, nxpk= 20, iat= 827, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 HIS HB+ 54 ILE HB 4.50 (# 475:20 Unique 2.61, 4.58 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 869, 870,
&end
#
# 54 ILE HG1- 54 ILE HB 2.80 (# 476:20 Unique 2.45, 2.78 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 835, 836,
&end
#
# 54 ILE HG1+ 54 ILE HB 2.80 (# 477:20 Unique 2.45, 2.78 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 835, 836,
&end
#
# 54 ILE QD1 54 ILE HB 2.80 (# 478:20 Preassigned 2.15, 3.06 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 838, 839, 840,
&end
#
# 54 ILE QG2 54 ILE HB 2.80 (# 479:20 Unique 2.22, 2.63 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 831, 832, 833,
&end
#
# 74 ILE HN 74 ILE HG1- 2.80 (# 480:20 Unique 2.43, 3.43 A)
&rst
ixpk= 480, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1141,1142,
&end
#
# 74 ILE HN 74 ILE HG1+ 3.50 (# 481:20 Unique 2.43, 3.43 A)
&rst
ixpk= 481, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1141,1142,
&end
#
# 0 AMB 20-2:483 74 ILE HG1- 2.80 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1133,1114,
igr2=1141,1142,
&end
#
# 0 AMB 20-2:484 0 AMB 20-1:484 2.80 (# 484:20 Double Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1133,1114,
igr2=1141,1142,1141,1142,
&end
#
# 74 ILE HB 74 ILE HG1- 2.80 (# 485:20 Unique 2.43, 2.46 A)
&rst
ixpk= 485, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1141,1142,
&end
#
# 74 ILE HB 74 ILE HG1+ 2.80 (# 486:20 Unique 2.43, 2.46 A)
&rst
ixpk= 486, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1141,1142,
&end
#
# 74 ILE QD1 74 ILE HG1- 2.80 (# 487:20 Unique 2.20, 2.62 A)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1144,1145,1146,
igr2=1141,1142,
&end
#
# 0 AMB 20-2:488 74 ILE QD1 3.50 (# 488:20 Single Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1131,1150,
igr2=1144,1145,1146,
&end
#
# 74 ILE HA 74 ILE QD1 3.50 (# 489:20 Unique 2.00, 2.94 A)
&rst
ixpk= 489, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1144,1145,1146,
&end
#
# 66 SER HB+ 74 ILE QD1 4.50 (# 490:20 Unique 3.06, 4.74 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1008,1009,
igr2=1144,1145,1146,
&end
#
# 74 ILE HB 74 ILE QD1 3.50 (# 491:20 Preassigned 3.57, 3.92 A)
&rst
ixpk= 491, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1144,1145,1146,
&end
#
# 74 ILE HG1- 74 ILE QD1 2.80 (# 492:20 Unique 2.20, 2.62 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1141,1142,
igr2=1144,1145,1146,
&end
#
# 0 AMB 20-2:493 74 ILE QG2 3.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1150,1131,
igr2=1137,1138,1139,
&end
#
# 74 ILE HA 74 ILE QG2 2.80 (# 494:20 Unique 2.26, 3.05 A)
&rst
ixpk= 494, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1137,1138,1139,
&end
#
# 76 THR HB 74 ILE QG2 4.50 (# 495:20 Preassigned 4.89, 6.13 A)
&rst
ixpk= 495, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1137,1138,1139,
&end
#
# 74 ILE HB 74 ILE QG2 2.80 (# 496:20 Unique 2.22, 2.63 A)
&rst
ixpk= 496, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1137,1138,1139,
&end
#
# 74 ILE HG1- 74 ILE QG2 2.80 (# 497:20 Unique 2.30, 3.49 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1141,1142,
igr2=1137,1138,1139,
&end
#
# 74 ILE HN 73 ILE HA 2.80 (# 498:20 Unique 2.14, 2.19 A)
&rst
ixpk= 498, nxpk= 20, iat=1131,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ILE HN 73 ILE HA 3.50 (# 499:20 Unique 2.80, 2.85 A)
&rst
ixpk= 499, nxpk= 20, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 SER HA 73 ILE HA 2.80 (# 500:20 Unique 2.27, 2.60 A)
&rst
ixpk= 500, nxpk= 20, iat= 995,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ILE HB 73 ILE HA 3.50 (# 501:20 Unique 3.02, 3.02 A)
&rst
ixpk= 501, nxpk= 20, iat=1116,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:502 73 ILE HA 2.80 (# 502:20 Single Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1122,1123,1141,1142,
&end
#
# 73 ILE HG1+ 73 ILE HA 3.50 (# 503:20 Unique 3.02, 3.39 A)
&rst
ixpk= 503, nxpk= 20, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1122,1123,
&end
#
# 73 ILE QD1 73 ILE HA 3.50 (# 504:20 Unique 2.02, 2.90 A)
&rst
ixpk= 504, nxpk= 20, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1125,1126,1127,
&end
#
# 73 ILE QG2 73 ILE HA 2.80 (# 505:20 Unique 2.33, 3.10 A)
&rst
ixpk= 505, nxpk= 20, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1118,1119,1120,
&end
#
# 74 ILE HN 73 ILE HB 5.50 (# 506:20 Unique 3.83, 4.03 A)
&rst
ixpk= 506, nxpk= 20, iat=1131,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ILE HN 73 ILE HB 2.80 (# 507:20 Unique 2.50, 2.54 A)
&rst
ixpk= 507, nxpk= 20, iat=1112,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 HIS HE1 73 ILE HB 5.50 (# 508:20 Unique 3.17, 5.05 A)
&rst
ixpk= 508, nxpk= 20, iat=1160,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:509 73 ILE HB 3.50 (# 509:20 Single Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1114,1133,
&end
#
# 73 ILE HG1- 73 ILE HB 2.80 (# 510:20 Preassigned 2.42, 2.46 A)
&rst
ixpk= 510, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1122,1123,
&end
#
# 73 ILE HG1+ 73 ILE HB 2.80 (# 511:20 Unique 2.42, 2.46 A)
&rst
ixpk= 511, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1122,1123,
&end
#
# 73 ILE QD1 73 ILE HB 3.50 (# 512:20 Unique 3.57, 3.92 A)
&rst
ixpk= 512, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1125,1126,1127,
&end
#
# 73 ILE QG2 73 ILE HB 2.80 (# 513:20 Unique 2.24, 2.63 A)
&rst
ixpk= 513, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1118,1119,1120,
&end
#
# 74 ILE HN 73 ILE HG1+ 5.50 (# 515:20 Preassigned 4.97, 5.13 A)
&rst
ixpk= 515, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 73 ILE HN 73 ILE HG1- 3.50 (# 516:20 Unique 2.04, 2.91 A)
&rst
ixpk= 516, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1122,1123,
&end
#
# 73 ILE HN 73 ILE HG1+ 3.50 (# 517:20 Unique 2.04, 2.91 A)
&rst
ixpk= 517, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 5.50 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 995, 729, 730,
igr2=1122,1123,1122,1123,
&end
#
# 73 ILE HA 73 ILE HG1+ 2.80 (# 520:20 Preassigned 3.02, 3.39 A)
&rst
ixpk= 520, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1122,1123,
&end
#
# 73 ILE HB 73 ILE HG1+ 2.80 (# 521:20 Unique 2.42, 2.46 A)
&rst
ixpk= 521, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1122,1123,
&end
#
# 73 ILE HB 73 ILE HG1- 2.80 (# 522:20 Unique 2.42, 2.46 A)
&rst
ixpk= 522, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1122,1123,
&end
#
# 73 ILE QG2 73 ILE HG1+ 2.80 (# 523:20 Unique 2.31, 3.50 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1118,1119,1120,
igr2=1122,1123,
&end
#
# 73 ILE QD1 73 ILE HG1+ 2.80 (# 524:20 Unique 2.20, 2.62 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1125,1126,1127,
igr2=1122,1123,
&end
#
# 73 ILE QG2 73 ILE HG1- 2.80 (# 525:20 Unique 2.31, 3.50 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1118,1119,1120,
igr2=1122,1123,
&end
#
# 74 ILE HN 73 ILE QD1 5.50 (# 527:20 Unique 3.53, 4.55 A)
&rst
ixpk= 527, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1125,1126,1127,
&end
#
# 73 ILE HN 73 ILE QD1 4.50 (# 528:20 Unique 3.30, 4.13 A)
&rst
ixpk= 528, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:529 73 ILE QD1 4.50 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1160, 677, 681,
igr2=1125,1126,1127,
&end
#
# 65 SER HA 73 ILE QD1 3.50 (# 530:20 Unique 2.00, 3.29 A)
&rst
ixpk= 530, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:531 73 ILE QD1 2.80 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1114,1046,
igr2=1125,1126,1127,
&end
#
# 73 ILE HB 73 ILE QD1 3.50 (# 532:20 Preassigned 3.57, 3.92 A)
&rst
ixpk= 532, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1125,1126,1127,
&end
#
# 73 ILE HG1- 73 ILE QD1 2.80 (# 533:20 Preassigned 2.20, 2.62 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1122,1123,
igr2=1125,1126,1127,
&end
#
# 74 ILE HN 73 ILE QG2 2.80 (# 534:20 Unique 2.23, 3.18 A)
&rst
ixpk= 534, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1118,1119,1120,
&end
#
# 73 ILE HN 73 ILE QG2 4.50 (# 535:20 Unique 4.39, 4.54 A)
&rst
ixpk= 535, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1118,1119,1120,
&end
#
# 75 HIS HE1 73 ILE QG2 3.50 (# 536:20 Unique 2.51, 4.75 A)
&rst
ixpk= 536, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1118,1119,1120,
&end
#
# 75 HIS HD2 73 ILE QG2 5.50 (# 537:20 Unique 2.02, 4.67 A)
&rst
ixpk= 537, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1118,1119,1120,
&end
#
# 63 ALA HA 73 ILE QG2 3.50 (# 538:20 Unique 2.54, 3.14 A)
&rst
ixpk= 538, nxpk= 20, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1118,1119,1120,
&end
#
# 0 AMB 20-2:540 73 ILE QG2 4.50 (# 540:20 Single Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 995, 729, 730,
igr2=1118,1119,1120,
&end
#
# 73 ILE HA 73 ILE QG2 2.80 (# 541:20 Preassigned 2.33, 3.10 A)
&rst
ixpk= 541, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1118,1119,1120,
&end
#
# 25 LYS HE- 73 ILE QG2 5.50 (# 542:20 Preassigned 6.69, 9.95 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 411, 412,
igr2=1118,1119,1120,
&end
#
# 64 VAL HB 73 ILE QG2 4.50 (# 543:20 Preassigned 4.71, 5.91 A)
&rst
ixpk= 543, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1118,1119,1120,
&end
#
# 73 ILE HB 73 ILE QG2 2.80 (# 545:20 Unique 2.24, 2.63 A)
&rst
ixpk= 545, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1118,1119,1120,
&end
#
# 73 ILE HG1- 73 ILE QG2 2.80 (# 546:20 Unique 2.31, 3.50 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1122,1123,
igr2=1118,1119,1120,
&end
#
# 63 ALA MB 73 ILE QG2 2.80 (# 547:20 Unique 2.01, 3.33 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 971, 972, 973,
igr2=1118,1119,1120,
&end
#
# 73 ILE HG1+ 73 ILE QG2 2.80 (# 548:20 Unique 2.31, 3.50 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1122,1123,
igr2=1118,1119,1120,
&end
#
# 72 GLY HN 72 GLY HA+ 4.50 (# 549:20 Unique 2.29, 2.69 A)
&rst
ixpk= 549, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1107,1108,
&end
#
# 72 GLY HN 72 GLY HA- 3.50 (# 550:20 Unique 2.29, 2.69 A)
&rst
ixpk= 550, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1107,1108,
&end
#
# 73 ILE HN 72 GLY HA+ 2.80 (# 551:20 Unique 2.29, 3.11 A)
&rst
ixpk= 551, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1107,1108,
&end
#
# 73 ILE HN 72 GLY HA- 2.80 (# 552:20 Unique 2.29, 3.11 A)
&rst
ixpk= 552, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1107,1108,
&end
#
# 0 AMB 20-2:553 71 GLU HA 2.80 (# 553:20 Single Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1097,1098,1097,1098,
&end
#
# 71 GLU HB+ 71 GLU HA 2.80 (# 554:20 Unique 2.39, 2.71 A)
&rst
ixpk= 554, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1094,1095,
&end
#
# 71 GLU HB- 71 GLU HA 2.80 (# 555:20 Unique 2.39, 2.71 A)
&rst
ixpk= 555, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1094,1095,
&end
#
# 71 GLU HN 71 GLU HB- 5.50 (# 556:20 Unique 2.14, 2.95 A)
&rst
ixpk= 556, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1094,1095,
&end
#
# 71 GLU HA 71 GLU HB+ 2.80 (# 557:20 Unique 2.39, 2.71 A)
&rst
ixpk= 557, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1094,1095,
&end
#
# 71 GLU HA 71 GLU HB- 2.80 (# 558:20 Unique 2.39, 2.71 A)
&rst
ixpk= 558, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 2.80 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1097,1098,1097,1098,
igr2=1094,1095,1094,1095,
&end
#
# 0 AMB 20-2:560 71 GLU HB- 2.80 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1097,1098,1097,1098,
igr2=1094,1095,
&end
#
# 71 GLU HA 0 AMB 20-1:561 2.80 (# 561:20 Single Ambig)
&rst
ixpk= 561, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1097,1098,1097,1098,
&end
#
# 71 GLU HN 0 AMB 20-1:562 3.50 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1097,1098,1097,1098,
&end
#
# 71 GLU HN 70 LYS HA 5.50 (# 566:20 Unique 2.14, 2.98 A)
&rst
ixpk= 566, nxpk= 20, iat=1090,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:569 70 LYS HA 2.80 (# 569:20 Single Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1072,1073,1072,1073,
&end
#
# 0 AMB 20-2:570 70 LYS HA 3.50 (# 570:20 Single Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1078,1079,1078,1079,
&end
#
# 0 AMB 20-2:571 70 LYS HA 3.50 (# 571:20 Single Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1075,1076,1075,1076,
&end
#
# 70 LYS HA 0 AMB 20-1:573 2.80 (# 573:20 Single Ambig)
&rst
ixpk= 573, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1072,1073,1072,1073,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 2.80 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1075,1076,1075,1076,1075,1076,
igr2=1072,1073,1072,1073,1072,1073,
&end
#
# 70 LYS HA 0 AMB 20-1:575 4.50 (# 575:20 Single Ambig)
&rst
ixpk= 575, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1075,1076,1075,1076,
&end
#
# 0 AMB 20-2:576 0 AMB 20-1:576 2.80 (# 576:20 Double Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 79, 80, 79, 80,1081,1082,1081,1082,1081,1082,
igr2= 73, 74,1075,1076,1075,1076,1075,1076,
&end
#
# 70 LYS HA 0 AMB 20-1:577 4.50 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1078,1079,1078,1079,
&end
#
# 0 AMB 20-2:578 0 AMB 20-1:578 2.80 (# 578:20 Double Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 79, 80, 79, 80, 79, 80,1081,1082,1081,1082,
1081,1082,
igr2= 76, 77, 76, 77, 76, 77,1078,1079,1078,1079,
1078,1079,
&end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 2.80 (# 579:20 Double Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 76, 77, 76, 77, 76, 77,1078,1079,1078,1079,
1078,1079,
igr2= 79, 80, 79, 80, 79, 80,1081,1082,1081,1082,
1081,1082,
&end
#
# 0 AMB 20-2:580 0 AMB 20-1:580 2.80 (# 580:20 Double Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 73, 74, 73, 74,
igr2= 79, 80, 79, 80,
&end
#
# 66 SER HN 0 AMB 20-1:581 5.50 (# 581:20 Single Ambig)
&rst
ixpk= 581, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1008,1009, 997, 998,
&end
#
# 66 SER HN 66 SER HB- 5.50 (# 582:20 Unique 2.14, 2.96 A)
&rst
ixpk= 582, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1008,1009,
&end
#
# 74 ILE HG1+ 66 SER HB+ 5.50 (# 585:20 Unique 2.09, 3.15 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1141,1142,
igr2=1008,1009,
&end
#
# 66 SER HA 66 SER HB+ 2.80 (# 586:20 Unique 2.29, 2.67 A)
&rst
ixpk= 586, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1008,1009,
&end
#
# 66 SER HA 66 SER HB- 2.80 (# 587:20 Unique 2.29, 2.67 A)
&rst
ixpk= 587, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1008,1009,
&end
#
# 64 VAL HB 66 SER HB+ 3.50 (# 588:20 Preassigned 3.37, 5.18 A)
&rst
ixpk= 588, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1008,1009,
&end
#
# 64 VAL HB 66 SER HB- 4.50 (# 589:20 Preassigned 3.37, 5.18 A)
&rst
ixpk= 589, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1008,1009,
&end
#
# 74 ILE HB 66 SER HB+ 4.50 (# 590:20 Preassigned 3.25, 4.59 A)
&rst
ixpk= 590, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1008,1009,
&end
#
# 74 ILE HB 66 SER HB- 5.50 (# 593:20 Preassigned 3.25, 4.59 A)
&rst
ixpk= 593, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1008,1009,
&end
#
# 74 ILE HG1- 66 SER HB+ 2.80 (# 594:20 Unique 2.09, 3.15 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1141,1142,
igr2=1008,1009,
&end
#
# 74 ILE HG1- 66 SER HB- 2.80 (# 595:20 Unique 2.09, 3.15 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1141,1142,
igr2=1008,1009,
&end
#
# 74 ILE QD1 66 SER HB+ 4.50 (# 596:20 Unique 3.06, 4.74 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1144,1145,1146,
igr2=1008,1009,
&end
#
# 74 ILE QD1 66 SER HB- 4.50 (# 597:20 Unique 3.06, 4.74 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1144,1145,1146,
igr2=1008,1009,
&end
#
# 73 ILE QG2 65 SER HB- 5.50 (# 598:20 Preassigned 4.93, 6.88 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1118,1119,1120,
igr2= 997, 998,
&end
#
# 74 ILE HG1+ 66 SER HB- 5.50 (# 599:20 Unique 2.09, 3.15 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1141,1142,
igr2=1008,1009,
&end
#
# 65 SER HN 65 SER HA 5.50 (# 601:20 Unique 2.77, 2.86 A)
&rst
ixpk= 601, nxpk= 20, iat= 993, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ILE HG1+ 65 SER HA 5.50 (# 602:20 Unique 3.68, 4.78 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1122,1123,
&end
#
# 65 SER HN 65 SER HB- 3.50 (# 603:20 Unique 2.26, 3.05 A)
&rst
ixpk= 603, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997, 998,
&end
#
# 65 SER HN 65 SER HB+ 3.50 (# 604:20 Unique 2.26, 3.05 A)
&rst
ixpk= 604, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997, 998,
&end
#
# 65 SER HA 65 SER HB- 2.80 (# 605:20 Unique 2.31, 2.56 A)
&rst
ixpk= 605, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 997, 998,
&end
#
# 65 SER HA 65 SER HB+ 2.80 (# 606:20 Unique 2.31, 2.56 A)
&rst
ixpk= 606, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 997, 998,
&end
#
# 0 AMB 20-2:607 0 AMB 20-1:607 5.50 (# 607:20 Double Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1141,1142, 73, 74, 73, 74,
igr2=1008,1009, 59, 60, 59, 60,
&end
#
# 73 ILE HG1- 65 SER HB+ 4.50 (# 608:20 Preassigned 4.41, 5.96 A)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1122,1123,
igr2= 997, 998,
&end
#
# 73 ILE QD1 65 SER HB- 3.50 (# 609:20 Unique 2.22, 4.15 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1125,1126,1127,
igr2= 997, 998,
&end
#
# 73 ILE QD1 65 SER HB+ 3.50 (# 610:20 Unique 2.22, 4.15 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1125,1126,1127,
igr2= 997, 998,
&end
#
# 65 SER HN 64 VAL HA 2.80 (# 611:20 Unique 2.14, 2.15 A)
&rst
ixpk= 611, nxpk= 20, iat= 993, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 VAL HN 64 VAL HA 2.80 (# 612:20 Unique 2.92, 2.93 A)
&rst
ixpk= 612, nxpk= 20, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 VAL HB 64 VAL HA 3.50 (# 613:20 Unique 3.02, 3.02 A)
&rst
ixpk= 613, nxpk= 20, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 VAL MGY 64 VAL HA 2.80 (# 614:20 Unique 2.30, 3.11 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL MGX 64 VAL HA 2.80 (# 615:20 Unique 2.30, 3.11 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HN 64 VAL HB 2.80 (# 616:20 Unique 2.52, 2.60 A)
&rst
ixpk= 616, nxpk= 20, iat= 977, 981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 VAL HA 64 VAL HB 3.50 (# 617:20 Unique 3.02, 3.02 A)
&rst
ixpk= 617, nxpk= 20, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 VAL MGY 64 VAL HB 2.80 (# 618:20 Unique 2.22, 2.63 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL MGX 64 VAL HB 2.80 (# 619:20 Unique 2.22, 2.63 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HN 64 VAL MGX 2.80 (# 620:20 Unique 2.27, 3.98 A)
&rst
ixpk= 620, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HA 64 VAL MGX 2.80 (# 621:20 Unique 2.30, 3.11 A)
&rst
ixpk= 621, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 0 AMB 20-2:622 64 VAL MGX 4.50 (# 622:20 Single Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1171,1008,1009,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 62 LYS HE+ 64 VAL MGX 3.50 (# 623:20 Unique 2.00, 4.73 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 958, 959,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HB 64 VAL MGX 2.80 (# 624:20 Unique 2.22, 2.63 A)
&rst
ixpk= 624, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 0 AMB 20-2:625 64 VAL MGX 2.80 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 955, 956,1135,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HN 64 VAL MGY 3.50 (# 626:20 Unique 2.27, 3.98 A)
&rst
ixpk= 626, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 64 VAL HA 64 VAL MGY 2.80 (# 627:20 Unique 2.30, 3.11 A)
&rst
ixpk= 627, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 31 TRP HB- 22 VAL MGY 3.50 (# 628:20 Preassigned 2.97, 4.98 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 491, 492,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 64 VAL HB 64 VAL MGY 2.80 (# 629:20 Preassigned 2.22, 2.63 A)
&rst
ixpk= 629, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 23 LEU HN 22 VAL MGY 3.50 (# 631:20 Preassigned 2.05, 4.53 A)
&rst
ixpk= 631, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 64 VAL HN 63 ALA HA 2.80 (# 632:20 Unique 2.14, 2.16 A)
&rst
ixpk= 632, nxpk= 20, iat= 977, 969, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 HIS HA 63 ALA HA 4.50 (# 633:20 Unique 2.35, 2.79 A)
&rst
ixpk= 633, nxpk= 20, iat=1152, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ALA MB 63 ALA HA 2.80 (# 635:20 Unique 2.22, 2.63 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 971, 972, 973,
&end
#
# 63 ALA HN 63 ALA MB 2.80 (# 636:20 Unique 2.19, 3.01 A)
&rst
ixpk= 636, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 971, 972, 973,
&end
#
# 64 VAL HN 63 ALA MB 3.50 (# 637:20 Unique 3.58, 4.17 A)
&rst
ixpk= 637, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 971, 972, 973,
&end
#
# 48 THR HN 63 ALA MB 2.80 (# 638:20 Unique 1.95, 2.92 A)
&rst
ixpk= 638, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 971, 972, 973,
&end
#
# 75 HIS HE1 63 ALA MB 5.50 (# 639:20 Unique 2.34, 5.59 A)
&rst
ixpk= 639, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 971, 972, 973,
&end
#
# 75 HIS HD2 63 ALA MB 3.50 (# 640:20 Unique 2.57, 5.53 A)
&rst
ixpk= 640, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 971, 972, 973,
&end
#
# 75 HIS HA 63 ALA MB 3.50 (# 641:20 Unique 3.56, 4.92 A)
&rst
ixpk= 641, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 971, 972, 973,
&end
#
# 63 ALA HA 63 ALA MB 2.80 (# 642:20 Unique 2.22, 2.63 A)
&rst
ixpk= 642, nxpk= 20, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 971, 972, 973,
&end
#
# 48 THR HB 63 ALA MB 4.50 (# 643:20 Unique 2.11, 3.95 A)
&rst
ixpk= 643, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 971, 972, 973,
&end
#
# 73 ILE QG2 63 ALA MB 2.80 (# 644:20 Unique 2.01, 3.33 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1118,1119,1120,
igr2= 971, 972, 973,
&end
#
# 63 ALA HN 62 LYS HA 2.80 (# 645:20 Unique 2.16, 2.23 A)
&rst
ixpk= 645, nxpk= 20, iat= 967, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 GLU HA 62 LYS HA 3.50 (# 646:20 Unique 2.62, 3.64 A)
&rst
ixpk= 646, nxpk= 20, iat= 750, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS HB+ 62 LYS HA 2.80 (# 647:20 Unique 2.37, 2.51 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 949, 950,
&end
#
# 62 LYS HB- 62 LYS HA 2.80 (# 648:20 Unique 2.37, 2.51 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 949, 950,
&end
#
# 0 AMB 20-2:649 62 LYS HA 2.80 (# 649:20 Single Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 952, 953, 952, 953,
&end
#
# 62 LYS HN 62 LYS HB+ 3.50 (# 650:20 Unique 2.44, 3.23 A)
&rst
ixpk= 650, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 949, 950,
&end
#
# 62 LYS HN 62 LYS HB- 5.50 (# 651:20 Unique 2.44, 3.23 A)
&rst
ixpk= 651, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 63 ALA HN 62 LYS HB+ 5.50 (# 652:20 Unique 2.67, 3.63 A)
&rst
ixpk= 652, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 63 ALA HN 62 LYS HB- 5.50 (# 653:20 Unique 2.67, 3.63 A)
&rst
ixpk= 653, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 60 TYR HE 62 LYS HB+ 5.50 (# 654:20 Unique 2.05, 7.95 A)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 920,
igr2= 949, 950,
&end
#
# 60 TYR HE 62 LYS HB- 3.50 (# 655:20 Unique 2.05, 7.95 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 915, 920,
igr2= 949, 950,
&end
#
# 60 TYR HD 62 LYS HB- 5.50 (# 656:20 Unique 3.10, 6.97 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 913, 922,
igr2= 949, 950,
&end
#
# 60 TYR HD 62 LYS HB+ 5.50 (# 657:20 Unique 3.10, 6.97 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 913, 922,
igr2= 949, 950,
&end
#
# 62 LYS HA 62 LYS HB+ 2.80 (# 658:20 Unique 2.37, 2.51 A)
&rst
ixpk= 658, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 949, 950,
&end
#
# 62 LYS HA 62 LYS HB- 2.80 (# 659:20 Unique 2.37, 2.51 A)
&rst
ixpk= 659, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 949, 950,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 2.80 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 952, 953, 952, 953,
igr2= 949, 950, 949, 950,
&end
#
# 0 AMB 20-2:661 62 LYS HB- 2.80 (# 661:20 Single Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 952, 953, 952, 953,
igr2= 949, 950,
&end
#
# 78 ILE QD1 62 LYS HB- 5.50 (# 662:20 Unique 3.42, 5.55 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1213,1214,1215,
igr2= 949, 950,
&end
#
# 78 ILE QD1 62 LYS HB+ 5.50 (# 663:20 Unique 3.42, 5.55 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1213,1214,1215,
igr2= 949, 950,
&end
#
# 62 LYS HN 0 AMB 20-1:664 4.50 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 952, 953, 952, 953,
&end
#
# 62 LYS HA 0 AMB 20-1:665 2.80 (# 665:20 Single Ambig)
&rst
ixpk= 665, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 952, 953, 952, 953,
&end
#
# 62 LYS HE- 0 AMB 20-1:666 3.50 (# 666:20 Single Ambig)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 958, 959,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:667 0 AMB 20-1:667 3.50 (# 667:20 Double Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 958, 959, 958, 959,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:668 0 AMB 20-1:668 2.80 (# 668:20 Double Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 949, 950, 949, 950,
igr2= 952, 953, 952, 953,
&end
#
# 78 ILE QD1 0 AMB 20-1:669 4.50 (# 669:20 Single Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1213,1214,1215,
igr2= 952, 953, 952, 953,
&end
#
# 25 LYS HN 0 AMB 20-1:670 5.50 (# 670:20 Single Ambig)
&rst
ixpk= 670, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 408, 409, 408, 409,
&end
#
# 60 TYR HE 62 LYS HD+ 4.50 (# 671:20 Unique 3.17, 8.91 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 915, 920,
igr2= 955, 956,
&end
#
# 62 LYS HA 62 LYS HD+ 4.50 (# 672:20 Unique 4.01, 4.85 A)
&rst
ixpk= 672, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 955, 956,
&end
#
# 0 AMB 20-2:675 0 AMB 20-1:675 2.80 (# 675:20 Double Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 411, 412, 411, 412, 958, 959,
igr2= 408, 409, 408, 409, 955, 956,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 5.50 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1237, 92,
igr2= 886, 887, 411, 412,
&end
#
# 0 AMB 20-2:679 0 AMB 20-1:679 2.80 (# 679:20 Double Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 402, 403, 402, 403, 955, 956,
igr2= 411, 412, 411, 412, 958, 959,
&end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 2.80 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 402, 403, 402, 403, 955, 956,
igr2= 411, 412, 958, 959,
&end
#
# 0 AMB 20-2:681 0 AMB 20-1:681 2.80 (# 681:20 Double Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 408, 409, 408, 409, 955, 956,
igr2= 411, 412, 411, 412, 958, 959,
&end
#
# 0 AMB 20-2:682 0 AMB 20-1:682 2.80 (# 682:20 Double Ambig)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 408, 409, 408, 409, 955, 956,
igr2= 411, 412, 958, 959,
&end
#
# 64 VAL MGX 62 LYS HE+ 2.80 (# 683:20 Preassigned 2.00, 4.73 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 983, 984, 985, 987, 988, 989,
igr2= 958, 959,
&end
#
# 0 AMB 20-2:684 62 LYS HE- 2.80 (# 684:20 Single Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 983, 984, 985, 987, 988, 989,1210,1211,
igr2= 958, 959,
&end
#
# 78 ILE QD1 62 LYS HE+ 5.50 (# 685:20 Unique 2.16, 5.24 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1213,1214,1215,
igr2= 958, 959,
&end
#
# 78 ILE QD1 62 LYS HE- 5.50 (# 686:20 Unique 2.16, 5.24 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1213,1214,1215,
igr2= 958, 959,
&end
#
# 0 AMB 20-2:687 0 AMB 20-1:687 2.80 (# 687:20 Double Ambig)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 952, 953, 952, 953,
igr2= 958, 959, 958, 959,
&end
#
# 0 AMB 20-2:688 62 LYS HE- 2.80 (# 688:20 Single Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 952, 953, 952, 953,
igr2= 958, 959,
&end
#
# 62 LYS HN 61 ILE HA 2.80 (# 689:20 Unique 2.14, 2.18 A)
&rst
ixpk= 689, nxpk= 20, iat= 945, 928, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ILE HG1- 61 ILE HA 5.50 (# 691:20 Unique 2.29, 2.79 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 936, 937,
&end
#
# 61 ILE QG2 61 ILE HA 4.50 (# 692:20 Unique 2.38, 3.11 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 932, 933, 934,
&end
#
# 0 AMB 20-2:693 61 ILE HA 4.50 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 936, 937, 939, 940, 941,
&end
#
# 61 ILE HB 61 ILE HA 5.50 (# 694:20 Unique 3.02, 3.02 A)
&rst
ixpk= 694, nxpk= 20, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU MDX 61 ILE HA 5.50 (# 695:20 Unique 3.54, 6.13 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 50 THR HN 61 ILE HB 5.50 (# 696:20 Unique 1.94, 2.42 A)
&rst
ixpk= 696, nxpk= 20, iat= 763, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ILE HN 61 ILE HB 2.80 (# 697:20 Unique 2.46, 2.67 A)
&rst
ixpk= 697, nxpk= 20, iat= 926, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ILE HA 61 ILE HB 3.50 (# 698:20 Unique 3.02, 3.02 A)
&rst
ixpk= 698, nxpk= 20, iat= 928, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 THR HB 61 ILE HB 2.80 (# 699:20 Unique 2.00, 2.51 A)
&rst
ixpk= 699, nxpk= 20, iat= 767, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 THR MG2 61 ILE HB 4.50 (# 700:20 Preassigned 3.95, 4.77 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 769, 770, 771,
&end
#
# 61 ILE QG2 61 ILE HB 2.80 (# 701:20 Unique 2.22, 2.63 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 932, 933, 934,
&end
#
# 0 AMB 20-2:702 61 ILE HB 2.80 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 939, 940, 941, 936, 937,
&end
#
# 61 ILE HN 61 ILE HG1- 5.50 (# 703:20 Unique 2.31, 3.40 A)
&rst
ixpk= 703, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 61 ILE HN 61 ILE HG1+ 5.50 (# 704:20 Unique 2.31, 3.40 A)
&rst
ixpk= 704, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 52 PHE HE 61 ILE HG1- 3.50 (# 705:20 Unique 2.00, 5.50 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 808,
igr2= 936, 937,
&end
#
# 52 PHE HE 61 ILE HG1+ 3.50 (# 706:20 Unique 2.00, 5.50 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 808,
igr2= 936, 937,
&end
#
# 61 ILE HA 61 ILE HG1- 5.50 (# 707:20 Unique 2.29, 2.79 A)
&rst
ixpk= 707, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 61 ILE HA 61 ILE HG1+ 4.50 (# 708:20 Unique 2.29, 2.79 A)
&rst
ixpk= 708, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 936, 937,
&end
#
# 77 LEU MDX 61 ILE HG1- 2.80 (# 709:20 Unique 2.06, 5.44 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 936, 937,
&end
#
# 77 LEU MDX 61 ILE HG1+ 3.50 (# 710:20 Unique 2.06, 5.44 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 936, 937,
&end
#
# 0 AMB 20-2:711 61 ILE QD1 5.50 (# 711:20 Single Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 777, 945,
igr2= 939, 940, 941,
&end
#
# 50 THR HN 61 ILE QD1 5.50 (# 712:20 Preassigned 3.58, 4.85 A)
&rst
ixpk= 712, nxpk= 20, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 939, 940, 941,
&end
#
# 61 ILE HN 61 ILE QD1 4.50 (# 713:20 Unique 2.06, 4.69 A)
&rst
ixpk= 713, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 10 TRP HZ2 61 ILE QD1 5.50 (# 714:20 Unique 5.57,12.16 A)
&rst
ixpk= 714, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 939, 940, 941,
&end
#
# 10 TRP HE3 61 ILE QD1 4.50 (# 715:20 Unique 5.84,10.86 A)
&rst
ixpk= 715, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 52 PHE HE 61 ILE QD1 3.50 (# 716:20 Unique 2.01, 5.87 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 804, 808,
igr2= 939, 940, 941,
&end
#
# 23 LEU HA 61 ILE QD1 4.50 (# 717:20 Preassigned 4.67, 5.88 A)
&rst
ixpk= 717, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 61 ILE HA 61 ILE QD1 4.50 (# 718:20 Unique 3.68, 4.60 A)
&rst
ixpk= 718, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 77 LEU HA 61 ILE QD1 4.50 (# 719:20 Unique 4.21, 5.54 A)
&rst
ixpk= 719, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 50 THR HB 61 ILE QD1 4.50 (# 721:20 Unique 2.00, 2.98 A)
&rst
ixpk= 721, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 23 LEU HB+ 61 ILE QD1 3.50 (# 722:20 Preassigned 3.38, 5.30 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 368, 369,
igr2= 939, 940, 941,
&end
#
# 61 ILE HB 61 ILE QD1 3.50 (# 723:20 Preassigned 2.31, 3.08 A)
&rst
ixpk= 723, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 939, 940, 941,
&end
#
# 61 ILE HG1- 61 ILE QD1 2.80 (# 724:20 Preassigned 2.20, 2.62 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 936, 937,
igr2= 939, 940, 941,
&end
#
# 28 MET ME 61 ILE QD1 4.50 (# 725:20 Unique 2.48, 4.90 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 453, 454, 455,
igr2= 939, 940, 941,
&end
#
# 0 AMB 20-2:727 61 ILE QD1 3.50 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 371, 475,
igr2= 939, 940, 941,
&end
#
# 50 THR MG2 61 ILE QD1 2.80 (# 728:20 Unique 2.08, 4.07 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 769, 770, 771,
igr2= 939, 940, 941,
&end
#
# 61 ILE QG2 61 ILE QD1 3.50 (# 729:20 Unique 2.00, 3.78 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 932, 933, 934,
igr2= 939, 940, 941,
&end
#
# 77 LEU MDX 61 ILE QD1 3.50 (# 730:20 Unique 3.09, 6.75 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 939, 940, 941,
&end
#
# 77 LEU MDX 61 ILE QD1 3.50 (# 731:20 Unique 3.09, 6.75 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 939, 940, 941,
&end
#
# 30 VAL MGX 61 ILE QD1 3.50 (# 732:20 Unique 2.72, 5.95 A)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 939, 940, 941,
&end
#
# 77 LEU HB- 61 ILE QD1 4.50 (# 733:20 Unique 4.54, 6.93 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1185,1186,
igr2= 939, 940, 941,
&end
#
# 62 LYS HN 61 ILE QG2 3.50 (# 734:20 Unique 2.03, 3.40 A)
&rst
ixpk= 734, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 76 THR HN 61 ILE QG2 3.50 (# 735:20 Unique 2.65, 4.02 A)
&rst
ixpk= 735, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 61 ILE HN 61 ILE QG2 4.50 (# 736:20 Preassigned 4.36, 4.66 A)
&rst
ixpk= 736, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 932, 933, 934,
&end
#
# 10 TRP HZ2 61 ILE QG2 4.50 (# 737:20 Unique 5.73,12.19 A)
&rst
ixpk= 737, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 932, 933, 934,
&end
#
# 0 AMB 20-2:738 61 ILE QG2 4.50 (# 738:20 Single Ambig)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 161, 804, 808,
igr2= 932, 933, 934,
&end
#
# 75 HIS HD2 61 ILE QG2 3.50 (# 739:20 Unique 2.10, 4.40 A)
&rst
ixpk= 739, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 75 HIS HA 61 ILE QG2 3.50 (# 740:20 Unique 2.87, 3.60 A)
&rst
ixpk= 740, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 61 ILE HA 61 ILE QG2 3.50 (# 741:20 Unique 2.38, 3.11 A)
&rst
ixpk= 741, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 50 THR HB 61 ILE QG2 4.50 (# 743:20 Unique 3.91, 4.81 A)
&rst
ixpk= 743, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 932, 933, 934,
&end
#
# 75 HIS HB+ 61 ILE QG2 2.80 (# 744:20 Unique 2.00, 3.52 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1154,1155,
igr2= 932, 933, 934,
&end
#
# 75 HIS HB- 61 ILE QG2 3.50 (# 745:20 Unique 2.00, 3.52 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1154,1155,
igr2= 932, 933, 934,
&end
#
# 28 MET ME 61 ILE QG2 3.50 (# 746:20 Unique 3.30, 5.76 A)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 453, 454, 455,
igr2= 932, 933, 934,
&end
#
# 61 ILE HB 61 ILE QG2 2.80 (# 747:20 Unique 2.22, 2.63 A)
&rst
ixpk= 747, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 932, 933, 934,
&end
#
# 61 ILE HG1- 61 ILE QG2 2.80 (# 748:20 Unique 2.00, 3.44 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 936, 937,
igr2= 932, 933, 934,
&end
#
# 77 LEU HB- 61 ILE QG2 5.50 (# 749:20 Unique 4.50, 6.72 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1185,1186,
igr2= 932, 933, 934,
&end
#
# 52 PHE HN 60 TYR HA 3.50 (# 750:20 Preassigned 3.25, 3.89 A)
&rst
ixpk= 750, nxpk= 20, iat= 794, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ILE HN 60 TYR HB+ 4.50 (# 751:20 Unique 2.10, 3.36 A)
&rst
ixpk= 751, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 61 ILE HN 60 TYR HB- 3.50 (# 752:20 Unique 2.10, 3.36 A)
&rst
ixpk= 752, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:753 0 AMB 20-1:753 2.80 (# 753:20 Double Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 913, 922, 787,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:754 60 TYR HB- 2.80 (# 754:20 Single Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 913, 922, 787,
igr2= 909, 910,
&end
#
# 60 TYR HA 60 TYR HB+ 2.80 (# 755:20 Unique 2.36, 2.69 A)
&rst
ixpk= 755, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:756 0 AMB 20-1:756 3.50 (# 756:20 Double Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 779, 928,
igr2= 909, 910, 909, 910,
&end
#
# 60 TYR HA 60 TYR HB- 2.80 (# 757:20 Unique 2.36, 2.69 A)
&rst
ixpk= 757, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:758 60 TYR HB- 2.80 (# 758:20 Single Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 779, 928,
igr2= 909, 910,
&end
#
# 60 TYR HN 59 CYS HA 2.80 (# 760:20 Unique 2.25, 2.37 A)
&rst
ixpk= 760, nxpk= 20, iat= 905, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 VAL HA 59 CYS HA 3.50 (# 761:20 Unique 2.04, 2.50 A)
&rst
ixpk= 761, nxpk= 20, iat=1221, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 CYS HB+ 59 CYS HA 2.80 (# 762:20 Preassigned 2.39, 2.70 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 898, 899,
&end
#
# 59 CYS HB- 59 CYS HA 2.80 (# 763:20 Unique 2.39, 2.70 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 898, 899,
&end
#
# 79 VAL MGX 59 CYS HA 3.50 (# 764:20 Unique 2.00, 4.41 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 78 ILE HB 59 CYS HA 5.50 (# 765:20 Unique 4.45, 4.80 A)
&rst
ixpk= 765, nxpk= 20, iat=1204, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU MDX 59 CYS HA 5.50 (# 766:20 Unique 3.63, 5.93 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 60 TYR HN 59 CYS HB+ 2.80 (# 767:20 Unique 2.24, 3.21 A)
&rst
ixpk= 767, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 898, 899,
&end
#
# 60 TYR HN 59 CYS HB- 4.50 (# 768:20 Unique 2.24, 3.21 A)
&rst
ixpk= 768, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 898, 899,
&end
#
# 59 CYS HN 59 CYS HB- 3.50 (# 769:20 Unique 2.66, 3.25 A)
&rst
ixpk= 769, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 898, 899,
&end
#
# 59 CYS HN 59 CYS HB+ 3.50 (# 770:20 Unique 2.66, 3.25 A)
&rst
ixpk= 770, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 898, 899,
&end
#
# 52 PHE HE 59 CYS HB+ 3.50 (# 771:20 Unique 2.64, 4.83 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 808,
igr2= 898, 899,
&end
#
# 52 PHE HE 59 CYS HB- 3.50 (# 772:20 Unique 2.64, 4.83 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 808,
igr2= 898, 899,
&end
#
# 59 CYS HA 59 CYS HB+ 2.80 (# 773:20 Unique 2.39, 2.70 A)
&rst
ixpk= 773, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 898, 899,
&end
#
# 59 CYS HA 59 CYS HB- 2.80 (# 774:20 Unique 2.39, 2.70 A)
&rst
ixpk= 774, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 898, 899,
&end
#
# 79 VAL MGX 59 CYS HB+ 2.80 (# 776:20 Unique 2.01, 5.06 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 898, 899,
&end
#
# 79 VAL MGX 59 CYS HB- 3.50 (# 777:20 Unique 2.01, 5.06 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 898, 899,
&end
#
# 77 LEU MDX 59 CYS HB+ 2.80 (# 778:20 Unique 2.28, 5.17 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 898, 899,
&end
#
# 77 LEU MDX 59 CYS HB- 3.50 (# 779:20 Unique 2.28, 5.17 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 898, 899,
&end
#
# 80 ASP HN 58 ASP HB+ 5.50 (# 780:20 Unique 2.40, 4.31 A)
&rst
ixpk= 780, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 80 ASP HN 58 ASP HB- 5.50 (# 781:20 Unique 2.40, 4.31 A)
&rst
ixpk= 781, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 58 ASP HN 58 ASP HB+ 2.80 (# 782:20 Unique 2.22, 3.05 A)
&rst
ixpk= 782, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 886, 887,
&end
#
# 58 ASP HN 58 ASP HB- 2.80 (# 783:20 Unique 2.22, 3.05 A)
&rst
ixpk= 783, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 886, 887,
&end
#
# 59 CYS HN 58 ASP HB+ 3.50 (# 784:20 Unique 2.54, 3.77 A)
&rst
ixpk= 784, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 886, 887,
&end
#
# 59 CYS HN 58 ASP HB- 3.50 (# 785:20 Unique 2.54, 3.77 A)
&rst
ixpk= 785, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 886, 887,
&end
#
# 58 ASP HN 57 HIS HB+ 5.50 (# 788:20 Unique 1.96, 3.15 A)
&rst
ixpk= 788, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 58 ASP HN 57 HIS HB- 4.50 (# 789:20 Unique 1.96, 3.15 A)
&rst
ixpk= 789, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 869, 870,
&end
#
# 57 HIS HN 57 HIS HB+ 2.80 (# 790:20 Unique 2.19, 3.15 A)
&rst
ixpk= 790, nxpk= 20, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 869, 870,
&end
#
# 57 HIS HN 57 HIS HB- 3.50 (# 791:20 Unique 2.19, 3.15 A)
&rst
ixpk= 791, nxpk= 20, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 869, 870,
&end
#
# 57 HIS HD2 57 HIS HB+ 5.50 (# 792:20 Unique 2.69, 3.37 A)
&rst
ixpk= 792, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 57 HIS HD2 57 HIS HB- 5.50 (# 793:20 Unique 2.69, 3.37 A)
&rst
ixpk= 793, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 54 ILE HB 57 HIS HB+ 4.50 (# 796:20 Unique 2.61, 4.58 A)
&rst
ixpk= 796, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 869, 870,
&end
#
# 54 ILE HB 57 HIS HB- 5.50 (# 797:20 Unique 2.61, 4.58 A)
&rst
ixpk= 797, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 14 MET ME 57 HIS HB+ 5.50 (# 798:20 Unique 2.16, 5.14 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 231, 232, 233,
igr2= 869, 870,
&end
#
# 14 MET ME 57 HIS HB- 5.50 (# 799:20 Unique 2.16, 5.14 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 231, 232, 233,
igr2= 869, 870,
&end
#
# 79 VAL MGY 57 HIS HB+ 2.80 (# 800:20 Unique 2.99, 5.62 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 869, 870,
&end
#
# 79 VAL MGY 57 HIS HB- 2.80 (# 801:20 Unique 2.99, 5.62 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 869, 870,
&end
#
# 56 ASN HN 56 ASN HB+ 5.50 (# 802:20 Unique 2.38, 3.24 A)
&rst
ixpk= 802, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 56 ASN HN 56 ASN HB- 4.50 (# 803:20 Unique 2.38, 3.24 A)
&rst
ixpk= 803, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 56 ASN HD2+ 56 ASN HB- 5.50 (# 804:20 Unique 2.11, 3.24 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861,
igr2= 855, 856,
&end
#
# 55 GLY HN 55 GLY HA+ 2.80 (# 807:20 Unique 2.30, 2.76 A)
&rst
ixpk= 807, nxpk= 20, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 846, 847,
&end
#
# 55 GLY HN 55 GLY HA- 2.80 (# 808:20 Unique 2.30, 2.76 A)
&rst
ixpk= 808, nxpk= 20, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 846, 847,
&end
#
# 57 HIS HN 55 GLY HA+ 4.50 (# 809:20 Unique 3.70, 4.32 A)
&rst
ixpk= 809, nxpk= 20, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 846, 847,
&end
#
# 57 HIS HN 55 GLY HA- 5.50 (# 810:20 Unique 3.70, 4.32 A)
&rst
ixpk= 810, nxpk= 20, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 846, 847,
&end
#
# 0 AMB 20-2:811 0 AMB 20-1:811 5.50 (# 811:20 Double Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 878, 295, 299,
igr2= 846, 847, 846, 847,
&end
#
# 54 ILE QG2 55 GLY HA- 5.50 (# 814:20 Unique 3.21, 4.90 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 831, 832, 833,
igr2= 846, 847,
&end
#
# 55 GLY HN 54 ILE HA 2.80 (# 815:20 Unique 2.20, 3.30 A)
&rst
ixpk= 815, nxpk= 20, iat= 844, 827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ILE HN 54 ILE HA 4.50 (# 816:20 Unique 2.76, 2.90 A)
&rst
ixpk= 816, nxpk= 20, iat= 825, 827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ILE HG1- 54 ILE HA 3.50 (# 817:20 Unique 2.27, 2.78 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 54 ILE HB 54 ILE HA 3.50 (# 818:20 Unique 2.43, 2.72 A)
&rst
ixpk= 818, nxpk= 20, iat= 829, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ILE HG1+ 54 ILE HA 3.50 (# 819:20 Unique 2.27, 2.78 A)
&rst
ixpk= 819, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 0 AMB 20-2:820 54 ILE HA 4.50 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 838, 839, 840,1225,1226,1227,1229,1230,1231,
&end
#
# 54 ILE QG2 54 ILE HA 2.80 (# 821:20 Unique 2.32, 3.54 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 831, 832, 833,
&end
#
# 74 ILE HN 74 ILE HB 3.50 (# 822:20 Unique 2.61, 2.74 A)
&rst
ixpk= 822, nxpk= 20, iat=1131,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:823 74 ILE HB 3.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1133,1114,
&end
#
# 64 VAL HB 74 ILE HB 3.50 (# 824:20 Unique 2.15, 2.58 A)
&rst
ixpk= 824, nxpk= 20, iat= 981,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ILE HG1- 74 ILE HB 2.80 (# 825:20 Unique 2.43, 2.46 A)
&rst
ixpk= 825, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1141,1142,
&end
#
# 74 ILE HG1+ 74 ILE HB 2.80 (# 826:20 Unique 2.43, 2.46 A)
&rst
ixpk= 826, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1141,1142,
&end
#
# 0 AMB 20-2:827 74 ILE HB 2.80 (# 827:20 Single Ambig)
&rst
ixpk= 827, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139, 983, 984, 985, 987, 988, 989,
&end
#
# 74 ILE QD1 74 ILE HB 3.50 (# 828:20 Unique 3.57, 3.92 A)
&rst
ixpk= 828, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1144,1145,1146,
&end
#
# 54 ILE HN 54 ILE HG1- 5.50 (# 829:20 Unique 2.04, 3.85 A)
&rst
ixpk= 829, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 54 ILE HN 54 ILE HG1+ 5.50 (# 830:20 Unique 2.04, 3.85 A)
&rst
ixpk= 830, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 52 PHE HD 54 ILE HG1- 5.50 (# 831:20 Preassigned 3.93, 7.76 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 802, 810,
igr2= 835, 836,
&end
#
# 52 PHE HE 54 ILE HG1+ 5.50 (# 832:20 Preassigned 3.30, 7.71 A)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 804, 808,
igr2= 835, 836,
&end
#
# 54 ILE HA 54 ILE HG1- 3.50 (# 833:20 Unique 2.27, 2.78 A)
&rst
ixpk= 833, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 54 ILE HA 54 ILE HG1+ 3.50 (# 834:20 Unique 2.27, 2.78 A)
&rst
ixpk= 834, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 54 ILE HB 54 ILE HG1- 2.80 (# 835:20 Unique 2.45, 2.78 A)
&rst
ixpk= 835, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 835, 836,
&end
#
# 54 ILE QD1 54 ILE HG1- 2.80 (# 837:20 Unique 2.20, 2.62 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 838, 839, 840,
igr2= 835, 836,
&end
#
# 54 ILE QD1 54 ILE HG1+ 2.80 (# 838:20 Preassigned 2.20, 2.62 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 838, 839, 840,
igr2= 835, 836,
&end
#
# 54 ILE QG2 54 ILE HG1- 3.50 (# 839:20 Unique 2.08, 3.45 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 831, 832, 833,
igr2= 835, 836,
&end
#
# 54 ILE QG2 54 ILE HG1+ 3.50 (# 840:20 Unique 2.08, 3.45 A)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 831, 832, 833,
igr2= 835, 836,
&end
#
# 54 ILE HN 54 ILE QD1 5.50 (# 841:20 Unique 3.90, 5.11 A)
&rst
ixpk= 841, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 838, 839, 840,
&end
#
# 19 PHE HD 54 ILE QD1 4.50 (# 842:20 Unique 2.57, 6.49 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 293, 301,
igr2= 838, 839, 840,
&end
#
# 52 PHE HE 54 ILE QD1 5.50 (# 843:20 Unique 3.61, 8.30 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 808,
igr2= 838, 839, 840,
&end
#
# 54 ILE HA 54 ILE QD1 4.50 (# 844:20 Unique 3.91, 4.51 A)
&rst
ixpk= 844, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 838, 839, 840,
&end
#
# 0 AMB 20-2:845 54 ILE QD1 4.50 (# 845:20 Single Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 289, 290, 515, 516,
igr2= 838, 839, 840,
&end
#
# 32 CYS HB- 54 ILE QD1 5.50 (# 846:20 Unique 3.56, 6.05 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 515, 516,
igr2= 838, 839, 840,
&end
#
# 54 ILE HG1- 54 ILE QD1 2.80 (# 847:20 Unique 2.20, 2.62 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 835, 836,
igr2= 838, 839, 840,
&end
#
# 54 ILE HB 54 ILE QD1 2.80 (# 848:20 Unique 2.15, 3.06 A)
&rst
ixpk= 848, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 838, 839, 840,
&end
#
# 54 ILE HG1+ 54 ILE QD1 2.80 (# 849:20 Unique 2.20, 2.62 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 835, 836,
igr2= 838, 839, 840,
&end
#
# 0 AMB 20-2:850 54 ILE QD1 3.50 (# 850:20 Single Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 231, 232, 233, 898, 899,
igr2= 838, 839, 840,
&end
#
# 54 ILE QG2 54 ILE QD1 2.80 (# 851:20 Unique 2.01, 3.76 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 831, 832, 833,
igr2= 838, 839, 840,
&end
#
# 55 GLY HN 54 ILE QG2 4.50 (# 852:20 Unique 2.05, 3.56 A)
&rst
ixpk= 852, nxpk= 20, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 831, 832, 833,
&end
#
# 54 ILE HN 54 ILE QG2 5.50 (# 853:20 Unique 1.96, 3.69 A)
&rst
ixpk= 853, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:854 54 ILE QG2 3.50 (# 854:20 Single Ambig)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 295, 299, 878,
igr2= 831, 832, 833,
&end
#
# 19 PHE HD 54 ILE QG2 3.50 (# 855:20 Unique 2.57, 7.15 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 293, 301,
igr2= 831, 832, 833,
&end
#
# 52 PHE HE 54 ILE QG2 5.50 (# 856:20 Preassigned 5.67, 8.74 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 808,
igr2= 831, 832, 833,
&end
#
# 54 ILE HA 54 ILE QG2 2.80 (# 857:20 Unique 2.32, 3.54 A)
&rst
ixpk= 857, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 831, 832, 833,
&end
#
# 55 GLY HA- 54 ILE QG2 4.50 (# 858:20 Preassigned 3.21, 4.90 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 846, 847,
igr2= 831, 832, 833,
&end
#
# 57 HIS HB+ 54 ILE QG2 4.50 (# 859:20 Unique 2.00, 4.65 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 869, 870,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:860 54 ILE QG2 5.50 (# 860:20 Single Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 289, 290,1239,1240,
igr2= 831, 832, 833,
&end
#
# 14 MET HG+ 54 ILE QG2 5.50 (# 861:20 Unique 2.60, 5.88 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 227, 228,
igr2= 831, 832, 833,
&end
#
# 54 ILE HG1- 54 ILE QG2 2.80 (# 862:20 Unique 2.08, 3.45 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 835, 836,
igr2= 831, 832, 833,
&end
#
# 14 MET ME 54 ILE QG2 4.50 (# 863:20 Unique 2.00, 4.00 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 231, 232, 233,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:864 54 ILE QG2 2.80 (# 864:20 Single Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 829, 339, 340,
igr2= 831, 832, 833,
&end
#
# 54 ILE HG1+ 54 ILE QG2 2.80 (# 865:20 Unique 2.08, 3.45 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 835, 836,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:866 54 ILE QG2 4.50 (# 866:20 Single Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199, 596,
597, 598, 600, 601, 602,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:867 54 ILE QG2 2.80 (# 867:20 Single Ambig)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 838, 839, 840,1225,1226,1227,1229,1230,1231,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:868 53 SER HA 3.50 (# 868:20 Single Ambig)
&rst
ixpk= 868, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 814, 844,
&end
#
# 59 CYS HN 53 SER HA 3.50 (# 869:20 Unique 2.07, 2.93 A)
&rst
ixpk= 869, nxpk= 20, iat= 894, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ILE HN 53 SER HA 2.80 (# 870:20 Unique 2.17, 2.36 A)
&rst
ixpk= 870, nxpk= 20, iat= 825, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 SER HB+ 53 SER HA 2.80 (# 872:20 Unique 2.26, 2.52 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 818, 819,
&end
#
# 53 SER HB- 53 SER HA 2.80 (# 873:20 Unique 2.26, 2.52 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 818, 819,
&end
#
# 59 CYS HG 53 SER HA 2.80 (# 874:20 Unique 2.10, 3.68 A)
&rst
ixpk= 874, nxpk= 20, iat= 901, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ILE HB 53 SER HA 4.50 (# 875:20 Preassigned 4.35, 4.58 A)
&rst
ixpk= 875, nxpk= 20, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 SER HN 53 SER HB+ 3.50 (# 876:20 Preassigned 2.84, 3.64 A)
&rst
ixpk= 876, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819,
&end
#
# 53 SER HN 53 SER HB- 3.50 (# 877:20 Preassigned 2.84, 3.64 A)
&rst
ixpk= 877, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819,
&end
#
# 54 ILE HN 53 SER HB+ 2.80 (# 878:20 Unique 2.13, 3.12 A)
&rst
ixpk= 878, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 818, 819,
&end
#
# 54 ILE HN 53 SER HB- 2.80 (# 879:20 Unique 2.13, 3.12 A)
&rst
ixpk= 879, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 818, 819,
&end
#
# 53 SER HA 53 SER HB+ 2.80 (# 880:20 Unique 2.26, 2.52 A)
&rst
ixpk= 880, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 818, 819,
&end
#
# 53 SER HA 53 SER HB- 2.80 (# 881:20 Unique 2.26, 2.52 A)
&rst
ixpk= 881, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 818, 819,
&end
#
# 53 SER HN 52 PHE HB+ 3.50 (# 884:20 Unique 2.07, 3.03 A)
&rst
ixpk= 884, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 798, 799,
&end
#
# 53 SER HN 52 PHE HB- 3.50 (# 885:20 Unique 2.07, 3.03 A)
&rst
ixpk= 885, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 798, 799,
&end
#
# 52 PHE HD 52 PHE HB+ 2.80 (# 886:20 Unique 2.28, 3.04 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 802, 810,
igr2= 798, 799,
&end
#
# 52 PHE HD 52 PHE HB- 2.80 (# 887:20 Unique 2.28, 3.04 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 802, 810,
igr2= 798, 799,
&end
#
# 39 THR HA 52 PHE HB+ 5.50 (# 888:20 Unique 2.21, 3.75 A)
&rst
ixpk= 888, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 798, 799,
&end
#
# 39 THR HA 52 PHE HB- 5.50 (# 889:20 Unique 2.21, 3.75 A)
&rst
ixpk= 889, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 798, 799,
&end
#
# 52 PHE HA 52 PHE HB+ 2.80 (# 890:20 Unique 2.38, 2.51 A)
&rst
ixpk= 890, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 798, 799,
&end
#
# 52 PHE HA 52 PHE HB- 2.80 (# 891:20 Unique 2.38, 2.51 A)
&rst
ixpk= 891, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 798, 799,
&end
#
# 39 THR MG2 52 PHE HB+ 3.50 (# 892:20 Unique 2.12, 3.88 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 627, 628, 629,
igr2= 798, 799,
&end
#
# 39 THR MG2 52 PHE HB- 3.50 (# 893:20 Unique 2.12, 3.88 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 627, 628, 629,
igr2= 798, 799,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 5.50 (# 894:20 Double Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 591, 592, 591, 592, 769, 770, 771,
igr2= 798, 799, 798, 799, 798, 799,
&end
#
# 0 AMB 20-2:895 52 PHE HB- 5.50 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 769, 770, 771, 475,
igr2= 798, 799,
&end
#
# 37 LEU MDY 52 PHE HB- 5.50 (# 896:20 Unique 2.23, 6.14 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 798, 799,
&end
#
# 37 LEU MDY 52 PHE HB+ 5.50 (# 897:20 Unique 2.23, 6.14 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 798, 799,
&end
#
# 51 HIS HN 51 HIS HA 5.50 (# 898:20 Unique 2.91, 2.94 A)
&rst
ixpk= 898, nxpk= 20, iat= 777, 779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HN 51 HIS HA 2.80 (# 899:20 Unique 2.14, 2.16 A)
&rst
ixpk= 899, nxpk= 20, iat= 794, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:900 51 HIS HA 4.50 (# 900:20 Single Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 796, 647, 648,
&end
#
# 51 HIS HB- 51 HIS HA 3.50 (# 901:20 Unique 2.40, 2.79 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 781, 782,
&end
#
# 51 HIS HB+ 51 HIS HA 3.50 (# 902:20 Unique 2.40, 2.79 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 781, 782,
&end
#
# 51 HIS HN 51 HIS HB+ 2.80 (# 903:20 Unique 2.18, 2.77 A)
&rst
ixpk= 903, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 781, 782,
&end
#
# 51 HIS HN 51 HIS HB- 2.80 (# 904:20 Unique 2.18, 2.77 A)
&rst
ixpk= 904, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 781, 782,
&end
#
# 40 ALA HN 51 HIS HB- 5.50 (# 905:20 Unique 2.06, 3.57 A)
&rst
ixpk= 905, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 781, 782,
&end
#
# 52 PHE HN 51 HIS HB+ 4.50 (# 906:20 Unique 3.81, 4.32 A)
&rst
ixpk= 906, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 781, 782,
&end
#
# 52 PHE HN 51 HIS HB- 3.50 (# 907:20 Unique 3.81, 4.32 A)
&rst
ixpk= 907, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 781, 782,
&end
#
# 51 HIS HA 51 HIS HB+ 2.80 (# 908:20 Unique 2.40, 2.79 A)
&rst
ixpk= 908, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 781, 782,
&end
#
# 51 HIS HA 51 HIS HB- 3.50 (# 909:20 Unique 2.40, 2.79 A)
&rst
ixpk= 909, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 781, 782,
&end
#
# 40 ALA MB 51 HIS HB+ 3.50 (# 912:20 Unique 2.01, 3.49 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 639, 640, 641,
igr2= 781, 782,
&end
#
# 40 ALA MB 51 HIS HB- 3.50 (# 913:20 Unique 2.01, 3.49 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 639, 640, 641,
igr2= 781, 782,
&end
#
# 50 THR HN 50 THR HB 2.80 (# 914:20 Unique 2.49, 2.69 A)
&rst
ixpk= 914, nxpk= 20, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ILE HN 50 THR HB 3.50 (# 915:20 Unique 1.95, 3.07 A)
&rst
ixpk= 915, nxpk= 20, iat= 926, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ILE HA 50 THR HB 5.50 (# 916:20 Unique 4.22, 4.73 A)
&rst
ixpk= 916, nxpk= 20, iat= 928, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 MET ME 50 THR HB 5.50 (# 918:20 Unique 4.31, 5.46 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 453, 454, 455,
&end
#
# 61 ILE HB 50 THR HB 3.50 (# 919:20 Unique 2.00, 2.51 A)
&rst
ixpk= 919, nxpk= 20, iat= 930, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 THR MG2 50 THR HB 2.80 (# 920:20 Unique 2.23, 2.64 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 769, 770, 771,
&end
#
# 61 ILE QG2 50 THR HB 4.50 (# 921:20 Unique 3.91, 4.81 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 932, 933, 934,
&end
#
# 0 AMB 20-2:922 50 THR HB 4.50 (# 922:20 Single Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 939, 940, 941, 936, 937,
&end
#
# 51 HIS HN 50 THR MG2 3.50 (# 923:20 Unique 1.95, 3.22 A)
&rst
ixpk= 923, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 769, 770, 771,
&end
#
# 50 THR HN 50 THR MG2 4.50 (# 924:20 Unique 4.40, 4.64 A)
&rst
ixpk= 924, nxpk= 20, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 769, 770, 771,
&end
#
# 0 AMB 20-2:925 50 THR MG2 3.50 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 635, 471,
igr2= 769, 770, 771,
&end
#
# 0 AMB 20-2:926 50 THR MG2 3.50 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 794, 926,
igr2= 769, 770, 771,
&end
#
# 52 PHE HD 50 THR MG2 4.50 (# 927:20 Unique 2.04, 5.08 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 802, 810,
igr2= 769, 770, 771,
&end
#
# 39 THR HA 50 THR MG2 4.50 (# 928:20 Unique 2.97, 4.30 A)
&rst
ixpk= 928, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 769, 770, 771,
&end
#
# 0 AMB 20-2:929 50 THR MG2 4.50 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 779, 928,
igr2= 769, 770, 771,
&end
#
# 39 THR HB 50 THR MG2 3.50 (# 931:20 Unique 2.00, 3.05 A)
&rst
ixpk= 931, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 769, 770, 771,
&end
#
# 50 THR HB 50 THR MG2 2.80 (# 932:20 Unique 2.23, 2.64 A)
&rst
ixpk= 932, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 769, 770, 771,
&end
#
# 0 AMB 20-2:933 50 THR MG2 4.50 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 798, 799, 781, 782,
igr2= 769, 770, 771,
&end
#
# 28 MET ME 50 THR MG2 4.50 (# 934:20 Unique 3.05, 5.12 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 453, 454, 455,
igr2= 769, 770, 771,
&end
#
# 30 VAL MGY 50 THR MG2 3.50 (# 935:20 Unique 2.70, 6.09 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 769, 770, 771,
&end
#
# 50 THR HN 49 GLU HA 2.80 (# 936:20 Unique 2.14, 2.17 A)
&rst
ixpk= 936, nxpk= 20, iat= 763, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 GLU HN 49 GLU HA 2.80 (# 937:20 Unique 2.92, 2.94 A)
&rst
ixpk= 937, nxpk= 20, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 TYR HD 49 GLU HA 4.50 (# 938:20 Unique 3.71, 6.51 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 913, 922,
&end
#
# 49 GLU HG+ 49 GLU HA 2.80 (# 939:20 Unique 2.35, 3.04 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 755, 756,
&end
#
# 49 GLU HG- 49 GLU HA 3.50 (# 940:20 Unique 2.35, 3.04 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 755, 756,
&end
#
# 49 GLU HB+ 49 GLU HA 2.80 (# 941:20 Unique 2.38, 2.74 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 752, 753,
&end
#
# 49 GLU HB- 49 GLU HA 3.50 (# 942:20 Unique 2.38, 2.74 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 752, 753,
&end
#
# 49 GLU HN 49 GLU HB+ 2.80 (# 943:20 Preassigned 2.51, 3.27 A)
&rst
ixpk= 943, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 752, 753,
&end
#
# 49 GLU HN 49 GLU HB- 3.50 (# 944:20 Preassigned 2.51, 3.27 A)
&rst
ixpk= 944, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 752, 753,
&end
#
# 51 HIS HD2 49 GLU HB+ 5.50 (# 945:20 Preassigned 5.68, 7.69 A)
&rst
ixpk= 945, nxpk= 20, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 51 HIS HD2 49 GLU HB- 4.50 (# 946:20 Preassigned 5.68, 7.69 A)
&rst
ixpk= 946, nxpk= 20, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 752, 753,
&end
#
# 60 TYR HD 49 GLU HB+ 5.50 (# 947:20 Unique 2.07, 6.40 A)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 913, 922,
igr2= 752, 753,
&end
#
# 60 TYR HD 49 GLU HB- 4.50 (# 948:20 Unique 2.07, 6.40 A)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 913, 922,
igr2= 752, 753,
&end
#
# 49 GLU HA 49 GLU HB+ 2.80 (# 949:20 Unique 2.38, 2.74 A)
&rst
ixpk= 949, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 752, 753,
&end
#
# 49 GLU HA 49 GLU HB- 2.80 (# 950:20 Unique 2.38, 2.74 A)
&rst
ixpk= 950, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 752, 753,
&end
#
# 49 GLU HG+ 49 GLU HB+ 2.80 (# 953:20 Unique 2.27, 2.68 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 755, 756,
igr2= 752, 753,
&end
#
# 49 GLU HG+ 49 GLU HB- 2.80 (# 954:20 Unique 2.27, 2.68 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 755, 756,
igr2= 752, 753,
&end
#
# 49 GLU HN 49 GLU HG+ 3.50 (# 955:20 Unique 2.59, 3.48 A)
&rst
ixpk= 955, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 755, 756,
&end
#
# 49 GLU HN 49 GLU HG- 3.50 (# 956:20 Unique 2.59, 3.48 A)
&rst
ixpk= 956, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:957 49 GLU HG- 4.50 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 922, 787,
igr2= 755, 756,
&end
#
# 60 TYR HE 49 GLU HG+ 5.50 (# 958:20 Unique 2.25, 7.88 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 920,
igr2= 755, 756,
&end
#
# 60 TYR HE 49 GLU HG- 3.50 (# 959:20 Unique 2.25, 7.88 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 915, 920,
igr2= 755, 756,
&end
#
# 49 GLU HA 49 GLU HG+ 2.80 (# 960:20 Unique 2.35, 3.04 A)
&rst
ixpk= 960, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 755, 756,
&end
#
# 62 LYS HA 49 GLU HG+ 3.50 (# 961:20 Unique 2.00, 4.31 A)
&rst
ixpk= 961, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 755, 756,
&end
#
# 49 GLU HA 49 GLU HG- 2.80 (# 962:20 Unique 2.35, 3.04 A)
&rst
ixpk= 962, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 2.80 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1122,1123, 752, 753,
igr2=1097,1098,1097,1098, 755, 756,
&end
#
# 49 GLU HB- 49 GLU HG- 2.80 (# 964:20 Unique 2.27, 2.68 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 752, 753,
igr2= 755, 756,
&end
#
# 49 GLU HN 48 THR HA 2.80 (# 965:20 Preassigned 2.14, 2.15 A)
&rst
ixpk= 965, nxpk= 20, iat= 748, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 THR MG2 48 THR HA 5.50 (# 967:20 Unique 2.05, 2.85 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 740, 741, 742,
&end
#
# 49 GLU HN 48 THR HB 3.50 (# 968:20 Preassigned 3.51, 3.83 A)
&rst
ixpk= 968, nxpk= 20, iat= 748, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HN 48 THR HB 3.50 (# 969:20 Unique 2.85, 3.05 A)
&rst
ixpk= 969, nxpk= 20, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 48 THR HB 3.50 (# 970:20 Unique 2.76, 2.92 A)
&rst
ixpk= 970, nxpk= 20, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ALA MB 48 THR HB 3.50 (# 972:20 Unique 2.11, 3.95 A)
&rst
ixpk= 972, nxpk= 20, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 971, 972, 973,
&end
#
# 48 THR MG2 48 THR HB 2.80 (# 973:20 Unique 2.23, 2.64 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 740, 741, 742,
&end
#
# 0 AMB 20-2:974 48 THR MG2 3.50 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 667, 748,
igr2= 740, 741, 742,
&end
#
# 48 THR HN 48 THR MG2 4.50 (# 975:20 Preassigned 3.70, 4.44 A)
&rst
ixpk= 975, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 740, 741, 742,
&end
#
# 43 PHE HD 48 THR MG2 2.80 (# 976:20 Unique 2.26, 6.19 A)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 675, 683,
igr2= 740, 741, 742,
&end
#
# 48 THR HA 48 THR MG2 2.80 (# 977:20 Unique 2.05, 2.85 A)
&rst
ixpk= 977, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 740, 741, 742,
&end
#
# 48 THR HB 48 THR MG2 2.80 (# 979:20 Unique 2.23, 2.64 A)
&rst
ixpk= 979, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 740, 741, 742,
&end
#
# 48 THR HN 47 GLY HA- 2.80 (# 981:20 Unique 2.15, 2.59 A)
&rst
ixpk= 981, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 729, 730,
&end
#
# 47 GLY HN 47 GLY HA- 2.80 (# 982:20 Unique 2.34, 2.74 A)
&rst
ixpk= 982, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 729, 730,
&end
#
# 46 ASP HN 46 ASP HA 3.50 (# 983:20 Unique 2.82, 2.88 A)
&rst
ixpk= 983, nxpk= 20, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ASP HB+ 46 ASP HA 2.80 (# 984:20 Unique 2.37, 2.77 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 719, 720,
&end
#
# 46 ASP HB- 46 ASP HA 2.80 (# 985:20 Unique 2.37, 2.77 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 719, 720,
&end
#
# 46 ASP HN 46 ASP HB+ 3.50 (# 986:20 Unique 2.27, 2.81 A)
&rst
ixpk= 986, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 719, 720,
&end
#
# 46 ASP HN 46 ASP HB- 2.80 (# 987:20 Preassigned 2.27, 2.81 A)
&rst
ixpk= 987, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 719, 720,
&end
#
# 45 ASP HN 0 AMB 20-1:988 3.50 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 707, 708, 707, 708,
&end
#
# 46 ASP HA 46 ASP HB+ 2.80 (# 989:20 Unique 2.37, 2.77 A)
&rst
ixpk= 989, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 719, 720,
&end
#
# 46 ASP HA 46 ASP HB- 2.80 (# 990:20 Preassigned 2.37, 2.77 A)
&rst
ixpk= 990, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 719, 720,
&end
#
# 64 VAL MGY 46 ASP HB+ 5.50 (# 991:20 Unique 6.37,10.92 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 984, 985, 987, 988, 989,
igr2= 719, 720,
&end
#
# 64 VAL MGY 46 ASP HB- 5.50 (# 992:20 Preassigned 6.37,10.92 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 984, 985, 987, 988, 989,
igr2= 719, 720,
&end
#
# 45 ASP HN 45 ASP HA 2.80 (# 993:20 Unique 2.76, 2.81 A)
&rst
ixpk= 993, nxpk= 20, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 ASP HN 45 ASP HA 2.80 (# 994:20 Unique 3.43, 3.47 A)
&rst
ixpk= 994, nxpk= 20, iat= 715, 705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ILE HN 71 GLU HA 5.50 (# 995:20 Unique 3.15, 4.07 A)
&rst
ixpk= 995, nxpk= 20, iat=1112,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:996 45 ASP HA 2.80 (# 996:20 Single Ambig)
&rst
ixpk= 996, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 707, 708, 707, 708,
&end
#
# 0 AMB 20-2:997 45 ASP HA 2.80 (# 997:20 Single Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 707, 708, 707, 708,
&end
#
# 45 ASP HN 0 AMB 20-1:998 3.50 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 707, 708, 707, 708,
&end
#
# 46 ASP HN 0 AMB 20-1:999 2.80 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 719, 720, 707, 708, 707, 708,
&end
#
# 47 GLY HN 46 ASP HB- 5.50 (# 1000:20 Unique 1.97, 3.57 A)
&rst
ixpk= 1000, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 719, 720,
&end
#
# 45 ASP HA 0 AMB 20-1:1001 2.80 (# 1001:20 Single Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 707, 708, 707, 708,
&end
#
# 44 VAL MGY 46 ASP HB- 5.50 (# 1002:20 Unique 2.07, 5.05 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 693, 694, 695, 697, 698, 699,
igr2= 719, 720,
&end
#
# 45 ASP HN 44 VAL HA 3.50 (# 1003:20 Unique 2.38, 2.54 A)
&rst
ixpk= 1003, nxpk= 20, iat= 703, 689, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 PHE HB- 44 VAL HA 4.50 (# 1005:20 Unique 4.20, 5.10 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 672,
&end
#
# 44 VAL HB 44 VAL HA 2.80 (# 1006:20 Unique 2.44, 2.50 A)
&rst
ixpk= 1006, nxpk= 20, iat= 691, 689, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 VAL MGY 44 VAL HA 2.80 (# 1007:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL MGX 44 VAL HA 2.80 (# 1008:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 45 ASP HN 44 VAL HB 2.80 (# 1009:20 Unique 1.95, 2.10 A)
&rst
ixpk= 1009, nxpk= 20, iat= 703, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 VAL HN 44 VAL HB 3.50 (# 1010:20 Unique 3.60, 3.77 A)
&rst
ixpk= 1010, nxpk= 20, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL HA 44 VAL HB 2.80 (# 1012:20 Unique 2.44, 2.50 A)
&rst
ixpk= 1012, nxpk= 20, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 ASP HA 44 VAL HB 5.50 (# 1013:20 Unique 4.52, 4.61 A)
&rst
ixpk= 1013, nxpk= 20, iat= 705, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL MGX 44 VAL HB 2.80 (# 1014:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL MGY 44 VAL HB 2.80 (# 1015:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 49 GLU HN 44 VAL MGX 4.50 (# 1016:20 Unique 2.63, 5.10 A)
&rst
ixpk= 1016, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 45 ASP HN 44 VAL MGX 4.50 (# 1017:20 Unique 3.06, 4.19 A)
&rst
ixpk= 1017, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 46 ASP HN 44 VAL MGX 3.50 (# 1018:20 Unique 1.94, 4.07 A)
&rst
ixpk= 1018, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HN 44 VAL MGX 3.50 (# 1019:20 Unique 1.95, 3.37 A)
&rst
ixpk= 1019, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 47 GLY HN 44 VAL MGX 3.50 (# 1020:20 Unique 1.95, 4.51 A)
&rst
ixpk= 1020, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 48 THR HA 44 VAL MGX 4.50 (# 1021:20 Unique 3.15, 5.63 A)
&rst
ixpk= 1021, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 0 AMB 20-2:1023 44 VAL MGX 4.50 (# 1023:20 Single Ambig)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 729, 730, 717,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HA 44 VAL MGX 2.80 (# 1024:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1024, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 62 LYS HE- 44 VAL MGX 5.50 (# 1025:20 Unique 8.33,12.41 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 958, 959,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 46 ASP HB- 44 VAL MGX 5.50 (# 1026:20 Unique 2.07, 5.05 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 719, 720,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HB 44 VAL MGX 2.80 (# 1027:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1027, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 49 GLU HG+ 44 VAL MGX 4.50 (# 1028:20 Unique 2.00, 4.57 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 755, 756,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 0 AMB 20-2:1029 44 VAL MGX 3.50 (# 1029:20 Single Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 755, 756, 656, 657,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 42 GLU HB- 44 VAL MGX 5.50 (# 1030:20 Unique 3.00, 6.26 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 656, 657,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HN 44 VAL MGY 2.80 (# 1031:20 Unique 1.95, 3.37 A)
&rst
ixpk= 1031, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HA 44 VAL MGY 2.80 (# 1032:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1032, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 46 ASP HB- 44 VAL MGY 5.50 (# 1033:20 Unique 2.07, 5.05 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 719, 720,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HB 44 VAL MGY 2.80 (# 1034:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1034, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 0 AMB 20-2:1035 44 VAL MGY 3.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 752, 753, 656, 657,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 43 PHE HN 43 PHE HB+ 3.50 (# 1036:20 Unique 2.54, 3.37 A)
&rst
ixpk= 1036, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 671, 672,
&end
#
# 43 PHE HN 43 PHE HB- 2.80 (# 1037:20 Unique 2.54, 3.37 A)
&rst
ixpk= 1037, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 671, 672,
&end
#
# 44 VAL HN 43 PHE HB- 5.50 (# 1038:20 Unique 3.03, 4.15 A)
&rst
ixpk= 1038, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 672,
&end
#
# 44 VAL HN 43 PHE HB+ 5.50 (# 1039:20 Unique 3.03, 4.15 A)
&rst
ixpk= 1039, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 672,
&end
#
# 43 PHE HD 43 PHE HB+ 3.50 (# 1040:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 675, 683,
igr2= 671, 672,
&end
#
# 43 PHE HD 43 PHE HB- 2.80 (# 1041:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 675, 683,
igr2= 671, 672,
&end
#
# 43 PHE HA 43 PHE HB+ 2.80 (# 1042:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1042, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 671, 672,
&end
#
# 43 PHE HA 43 PHE HB- 2.80 (# 1043:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1043, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 671, 672,
&end
#
# 0 AMB 20-2:1044 42 GLU HA 2.80 (# 1044:20 Single Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 667, 748,
&end
#
# 42 GLU HN 42 GLU HA 3.50 (# 1045:20 Unique 2.77, 2.91 A)
&rst
ixpk= 1045, nxpk= 20, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1046 42 GLU HA 2.80 (# 1046:20 Single Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 659, 660, 659, 660,
&end
#
# 42 GLU HB+ 42 GLU HA 2.80 (# 1047:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 657,
&end
#
# 42 GLU HB- 42 GLU HA 2.80 (# 1048:20 Preassigned 2.34, 2.67 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 657,
&end
#
# 42 GLU HN 42 GLU HB+ 3.50 (# 1049:20 Unique 2.21, 3.16 A)
&rst
ixpk= 1049, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 656, 657,
&end
#
# 42 GLU HA 42 GLU HB+ 2.80 (# 1050:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1050, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 656, 657,
&end
#
# 82 ARG HA 0 AMB 20-1:1051 2.80 (# 1051:20 Single Ambig)
&rst
ixpk= 1051, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1265,1266,1265,1266,
&end
#
# 44 VAL MGY 42 GLU HB+ 3.50 (# 1052:20 Unique 3.00, 6.26 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 693, 694, 695, 697, 698, 699,
igr2= 656, 657,
&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= 5.30, r4= 5.80,
igr1= 667, 748,
igr2= 659, 660, 659, 660, 659, 660,
&end
#
# 42 GLU HN 0 AMB 20-1:1054 3.50 (# 1054:20 Single Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 659, 660, 659, 660,
&end
#
# 51 HIS HD2 42 GLU HG- 3.50 (# 1055:20 Preassigned 5.81, 9.12 A)
&rst
ixpk= 1055, nxpk= 20, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 659, 660,
&end
#
# 42 GLU HA 0 AMB 20-1:1056 2.80 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 659, 660, 659, 660,
&end
#
# 42 GLU HB- 0 AMB 20-1:1057 2.80 (# 1057:20 Single Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 656, 657,
igr2= 659, 660, 659, 660,
&end
#
# 44 VAL MGY 42 GLU HG- 5.50 (# 1058:20 Preassigned 4.90, 7.61 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 693, 694, 695, 697, 698, 699,
igr2= 659, 660,
&end
#
# 51 HIS HN 40 ALA MB 3.50 (# 1059:20 Unique 2.22, 4.28 A)
&rst
ixpk= 1059, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 639, 640, 641,
&end
#
# 40 ALA HN 40 ALA MB 2.80 (# 1060:20 Unique 2.21, 3.07 A)
&rst
ixpk= 1060, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 639, 640, 641,
&end
#
# 40 ALA HN 39 THR HA 2.80 (# 1062:20 Unique 2.19, 2.35 A)
&rst
ixpk= 1062, nxpk= 20, iat= 635, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 THR HN 39 THR HA 3.50 (# 1063:20 Unique 2.88, 2.92 A)
&rst
ixpk= 1063, nxpk= 20, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1064 39 THR HA 3.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 798, 799, 781, 782,
&end
#
# 38 GLU HB- 39 THR HA 4.50 (# 1065:20 Unique 4.20, 4.67 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 40 ALA MB 39 THR HA 4.50 (# 1066:20 Unique 4.00, 4.93 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 641,
&end
#
# 50 THR MG2 39 THR HA 3.50 (# 1067:20 Unique 2.97, 4.30 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 769, 770, 771,
&end
#
# 39 THR MG2 39 THR HA 2.80 (# 1068:20 Unique 2.04, 3.03 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 627, 628, 629,
&end
#
# 40 ALA HN 39 THR HB 2.80 (# 1069:20 Unique 1.94, 2.59 A)
&rst
ixpk= 1069, nxpk= 20, iat= 635, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 THR HA 39 THR HB 2.80 (# 1070:20 Unique 2.39, 2.51 A)
&rst
ixpk= 1070, nxpk= 20, iat= 623, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 THR MG2 39 THR HB 3.50 (# 1072:20 Unique 2.00, 3.05 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 769, 770, 771,
&end
#
# 39 THR MG2 39 THR HB 2.80 (# 1073:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 627, 628, 629,
&end
#
# 39 THR HN 39 THR MG2 3.50 (# 1075:20 Unique 2.96, 4.02 A)
&rst
ixpk= 1075, nxpk= 20, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 627, 628, 629,
&end
#
# 52 PHE HD 39 THR MG2 3.50 (# 1076:20 Preassigned 3.06, 5.16 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 802, 810,
igr2= 627, 628, 629,
&end
#
# 39 THR HA 39 THR MG2 2.80 (# 1077:20 Unique 2.04, 3.03 A)
&rst
ixpk= 1077, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 627, 628, 629,
&end
#
# 0 AMB 20-2:1078 0 AMB 20-1:1078 2.80 (# 1078:20 Double Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 350,
igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
359, 360,
&end
#
# 0 AMB 20-2:1079 0 AMB 20-1:1079 3.50 (# 1079:20 Double Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 146, 796,1169, 647, 648,
igr2= 174, 175, 176, 178, 179, 180, 627, 628, 629, 983,
984, 985, 987, 988, 989,
&end
#
# 39 THR HB 39 THR MG2 2.80 (# 1081:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1081, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 627, 628, 629,
&end
#
# 52 PHE HB- 39 THR MG2 2.80 (# 1082:20 Unique 2.12, 3.88 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 798, 799,
igr2= 627, 628, 629,
&end
#
# 0 AMB 20-2:1083 22 VAL MGY 3.50 (# 1083:20 Single Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 491, 492, 79, 80, 79, 80,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 38 GLU HN 38 GLU HA 2.80 (# 1084:20 Unique 2.76, 2.84 A)
&rst
ixpk= 1084, nxpk= 20, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 THR HN 38 GLU HA 2.80 (# 1085:20 Unique 2.15, 2.32 A)
&rst
ixpk= 1085, nxpk= 20, iat= 621, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 GLU HG+ 38 GLU HA 3.50 (# 1086:20 Unique 2.33, 3.22 A)
&rst
ixpk= 1086, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 613, 614,
&end
#
# 38 GLU HG- 38 GLU HA 3.50 (# 1087:20 Unique 2.33, 3.22 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 613, 614,
&end
#
# 38 GLU HB+ 38 GLU HA 2.80 (# 1088:20 Unique 2.37, 2.67 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 610, 611,
&end
#
# 38 GLU HB- 38 GLU HA 2.80 (# 1089:20 Unique 2.37, 2.67 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 610, 611,
&end
#
# 38 GLU HN 38 GLU HB+ 2.80 (# 1091:20 Unique 2.39, 3.07 A)
&rst
ixpk= 1091, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 610, 611,
&end
#
# 38 GLU HN 38 GLU HB- 2.80 (# 1092:20 Unique 2.39, 3.07 A)
&rst
ixpk= 1092, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 610, 611,
&end
#
# 39 THR HN 38 GLU HB+ 3.50 (# 1093:20 Unique 2.24, 3.28 A)
&rst
ixpk= 1093, nxpk= 20, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 39 THR HN 38 GLU HB- 2.80 (# 1094:20 Unique 2.24, 3.28 A)
&rst
ixpk= 1094, nxpk= 20, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 610, 611,
&end
#
# 38 GLU HA 38 GLU HB+ 2.80 (# 1095:20 Unique 2.37, 2.67 A)
&rst
ixpk= 1095, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 610, 611,
&end
#
# 0 AMB 20-2:1096 38 GLU HB- 2.80 (# 1096:20 Single Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 608, 589,
igr2= 610, 611,
&end
#
# 38 GLU HN 38 GLU HG+ 2.80 (# 1097:20 Unique 1.95, 2.84 A)
&rst
ixpk= 1097, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 613, 614,
&end
#
# 38 GLU HN 38 GLU HG- 2.80 (# 1098:20 Unique 1.95, 2.84 A)
&rst
ixpk= 1098, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 613, 614,
&end
#
# 39 THR HN 38 GLU HG+ 4.50 (# 1099:20 Unique 3.00, 4.57 A)
&rst
ixpk= 1099, nxpk= 20, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 613, 614,
&end
#
# 39 THR HN 38 GLU HG- 4.50 (# 1100:20 Unique 3.00, 4.57 A)
&rst
ixpk= 1100, nxpk= 20, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 613, 614,
&end
#
# 38 GLU HA 38 GLU HG+ 3.50 (# 1101:20 Unique 2.33, 3.22 A)
&rst
ixpk= 1101, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 613, 614,
&end
#
# 0 AMB 20-2:1102 0 AMB 20-1:1102 3.50 (# 1102:20 Double Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 608, 33,
igr2= 613, 614, 11, 12,
&end
#
# 37 LEU HN 37 LEU HA 3.50 (# 1103:20 Unique 2.82, 2.91 A)
&rst
ixpk= 1103, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 GLU HN 37 LEU HA 2.80 (# 1104:20 Unique 2.18, 2.36 A)
&rst
ixpk= 1104, nxpk= 20, iat= 606, 589, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 LEU HG 37 LEU HA 3.50 (# 1105:20 Unique 2.67, 3.15 A)
&rst
ixpk= 1105, nxpk= 20, iat= 594, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 LEU HB- 37 LEU HA 2.80 (# 1106:20 Preassigned 2.34, 2.72 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 591, 592,
&end
#
# 37 LEU MDX 37 LEU HA 3.50 (# 1107:20 Unique 2.00, 3.85 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HN 0 AMB 20-1:1108 2.80 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 591, 592, 591, 592,
&end
#
# 37 LEU HA 0 AMB 20-1:1109 3.50 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 591, 592, 591, 592,
&end
#
# 37 LEU HG 0 AMB 20-1:1110 2.80 (# 1110:20 Single Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 591, 592, 591, 592,
&end
#
# 37 LEU MDX 0 AMB 20-1:1111 2.80 (# 1111:20 Single Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 591, 592, 591, 592,
&end
#
# 37 LEU MDY 0 AMB 20-1:1112 2.80 (# 1112:20 Single Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 591, 592, 591, 592,
&end
#
# 0 AMB 20-2:1113 37 LEU HG 2.80 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 591, 592, 591, 592,
&end
#
# 37 LEU MDX 37 LEU HG 2.80 (# 1114:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU MDY 37 LEU HG 2.80 (# 1115:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HN 37 LEU MDX 3.50 (# 1116:20 Unique 2.43, 4.50 A)
&rst
ixpk= 1116, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 38 GLU HN 37 LEU MDX 3.50 (# 1117:20 Unique 2.44, 5.03 A)
&rst
ixpk= 1117, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HA 37 LEU MDX 3.50 (# 1118:20 Unique 2.00, 3.85 A)
&rst
ixpk= 1118, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HG 37 LEU MDX 2.80 (# 1119:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1119, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HN 37 LEU MDY 5.50 (# 1121:20 Unique 2.15, 5.43 A)
&rst
ixpk= 1121, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HN 37 LEU MDY 5.50 (# 1122:20 Unique 2.43, 4.50 A)
&rst
ixpk= 1122, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 52 PHE HE 37 LEU MDY 5.50 (# 1123:20 Unique 2.00, 7.44 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 804, 808,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HA 37 LEU MDY 5.50 (# 1124:20 Unique 2.00, 3.85 A)
&rst
ixpk= 1124, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HB+ 37 LEU MDY 3.50 (# 1125:20 Unique 2.00, 4.10 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 515, 516,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HB- 37 LEU MDY 3.50 (# 1126:20 Unique 2.00, 4.10 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 515, 516,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU HG 37 LEU MDY 2.80 (# 1127:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1127, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 20-2:1128 37 LEU MDY 2.80 (# 1128:20 Single Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 591, 592, 591, 592,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 54 ILE HG1+ 37 LEU MDY 4.50 (# 1129:20 Unique 2.64, 6.03 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 835, 836,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 52 PHE HB+ 37 LEU MDY 5.50 (# 1131:20 Preassigned 2.23, 6.14 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 798, 799,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 30 VAL MGX 37 LEU MDY 2.80 (# 1132:20 Unique 2.00, 6.00 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HN 36 LYS HA 5.50 (# 1133:20 Unique 2.61, 3.10 A)
&rst
ixpk= 1133, nxpk= 20, iat= 511, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS HN 36 LYS HA 2.80 (# 1134:20 Unique 2.84, 2.93 A)
&rst
ixpk= 1134, nxpk= 20, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 LEU HN 36 LYS HA 2.80 (# 1135:20 Unique 2.14, 2.24 A)
&rst
ixpk= 1135, nxpk= 20, iat= 587, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 TRP HA 36 LYS HA 2.80 (# 1136:20 Unique 1.97, 2.11 A)
&rst
ixpk= 1136, nxpk= 20, iat= 489, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1137 36 LYS HA 4.50 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 575, 576, 591, 592, 591, 592,
&end
#
# 36 LYS HD+ 36 LYS HA 4.50 (# 1138:20 Unique 3.46, 4.12 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 575, 576,
&end
#
# 36 LYS HB+ 36 LYS HA 2.80 (# 1139:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 569, 570,
&end
#
# 36 LYS HG+ 36 LYS HA 3.50 (# 1140:20 Unique 2.30, 3.21 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 572, 573,
&end
#
# 36 LYS HB- 36 LYS HA 2.80 (# 1141:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1141, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 569, 570,
&end
#
# 36 LYS HG- 36 LYS HA 3.50 (# 1142:20 Unique 2.30, 3.21 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 572, 573,
&end
#
# 36 LYS HN 36 LYS HB+ 2.80 (# 1143:20 Unique 2.35, 2.98 A)
&rst
ixpk= 1143, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 569, 570,
&end
#
# 36 LYS HN 36 LYS HB- 2.80 (# 1144:20 Unique 2.35, 2.98 A)
&rst
ixpk= 1144, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 569, 570,
&end
#
# 36 LYS HA 36 LYS HB+ 5.50 (# 1145:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1145, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 569, 570,
&end
#
# 36 LYS HA 36 LYS HB- 4.50 (# 1146:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1146, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 569, 570,
&end
#
# 36 LYS HG+ 36 LYS HB+ 2.80 (# 1147:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 36 LYS HG+ 36 LYS HB- 3.50 (# 1148:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 36 LYS HG- 36 LYS HB+ 3.50 (# 1149:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 36 LYS HG- 36 LYS HB- 3.50 (# 1150:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 37 LEU HN 36 LYS HG+ 5.50 (# 1151:20 Unique 2.00, 3.93 A)
&rst
ixpk= 1151, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 572, 573,
&end
#
# 37 LEU HN 36 LYS HG- 5.50 (# 1152:20 Unique 2.00, 3.93 A)
&rst
ixpk= 1152, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 572, 573,
&end
#
# 36 LYS HA 36 LYS HG+ 3.50 (# 1153:20 Unique 2.30, 3.21 A)
&rst
ixpk= 1153, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 572, 573,
&end
#
# 36 LYS HA 36 LYS HG- 3.50 (# 1154:20 Unique 2.30, 3.21 A)
&rst
ixpk= 1154, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 572, 573,
&end
#
# 0 AMB 20-2:1155 0 AMB 20-1:1155 5.50 (# 1155:20 Double Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 578, 579, 463, 464,
igr2= 572, 573, 572, 573,
&end
#
# 0 AMB 20-2:1156 36 LYS HG- 5.50 (# 1156:20 Single Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 578, 579, 463, 464,
igr2= 572, 573,
&end
#
# 36 LYS HD+ 36 LYS HG+ 2.80 (# 1157:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 572, 573,
&end
#
# 36 LYS HB+ 36 LYS HG+ 2.80 (# 1158:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 36 LYS HD- 36 LYS HG+ 2.80 (# 1159:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 572, 573,
&end
#
# 36 LYS HB- 36 LYS HG+ 2.80 (# 1160:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 36 LYS HB- 36 LYS HG- 2.80 (# 1161:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 36 LYS HB+ 36 LYS HG- 2.80 (# 1162:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 36 LYS HD+ 36 LYS HG- 2.80 (# 1163:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 572, 573,
&end
#
# 36 LYS HD- 36 LYS HG- 2.80 (# 1164:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 572, 573,
&end
#
# 36 LYS HE+ 36 LYS HD+ 4.50 (# 1165:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 578, 579,
igr2= 575, 576,
&end
#
# 36 LYS HE+ 36 LYS HD- 3.50 (# 1166:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 578, 579,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 3.50 (# 1167:20 Double Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 578, 579, 463, 464,
igr2= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:1168 36 LYS HD- 3.50 (# 1168:20 Single Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 578, 579, 463, 464,
igr2= 575, 576,
&end
#
# 36 LYS HG- 36 LYS HD+ 2.80 (# 1169:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 572, 573,
igr2= 575, 576,
&end
#
# 36 LYS HG- 36 LYS HD- 2.80 (# 1170:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 572, 573,
igr2= 575, 576,
&end
#
# 36 LYS HB- 36 LYS HD- 2.80 (# 1171:20 Unique 2.05, 3.17 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 575, 576,
&end
#
# 36 LYS HB- 36 LYS HD+ 2.80 (# 1172:20 Unique 2.05, 3.17 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 575, 576,
&end
#
# 36 LYS HG+ 36 LYS HD- 2.80 (# 1173:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 572, 573,
igr2= 575, 576,
&end
#
# 36 LYS HG+ 36 LYS HD+ 2.80 (# 1174:20 Unique 2.24, 2.71 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 572, 573,
igr2= 575, 576,
&end
#
# 36 LYS HG- 36 LYS HE+ 4.50 (# 1175:20 Unique 2.10, 3.08 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 572, 573,
igr2= 578, 579,
&end
#
# 36 LYS HG- 36 LYS HE- 4.50 (# 1176:20 Unique 2.10, 3.08 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 572, 573,
igr2= 578, 579,
&end
#
# 36 LYS HB- 36 LYS HE+ 5.50 (# 1177:20 Unique 2.00, 4.45 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 569, 570,
igr2= 578, 579,
&end
#
# 36 LYS HB- 36 LYS HE- 5.50 (# 1178:20 Unique 2.00, 4.45 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 569, 570,
igr2= 578, 579,
&end
#
# 36 LYS HG+ 36 LYS HE+ 4.50 (# 1179:20 Unique 2.10, 3.08 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 572, 573,
igr2= 578, 579,
&end
#
# 36 LYS HG+ 36 LYS HE- 3.50 (# 1180:20 Unique 2.10, 3.08 A)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 572, 573,
igr2= 578, 579,
&end
#
# 36 LYS HB+ 36 LYS HE+ 2.80 (# 1181:20 Unique 2.00, 4.45 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570,
igr2= 578, 579,
&end
#
# 36 LYS HD+ 36 LYS HE+ 2.80 (# 1182:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 578, 579,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 2.80 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 575, 576, 575, 576,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1184 36 LYS HE- 2.80 (# 1184:20 Single Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 569, 570, 575, 576,
igr2= 578, 579,
&end
#
# 36 LYS HD+ 36 LYS HE- 2.80 (# 1185:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 578, 579,
&end
#
# 36 LYS HD- 36 LYS HE- 2.80 (# 1186:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576,
igr2= 578, 579,
&end
#
# 36 LYS HN 35 LYS HB- 4.50 (# 1189:20 Unique 1.94, 3.07 A)
&rst
ixpk= 1189, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 547, 548,
&end
#
# 36 LYS HN 35 LYS HB+ 4.50 (# 1190:20 Unique 1.94, 3.07 A)
&rst
ixpk= 1190, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 547, 548,
&end
#
# 35 LYS HN 35 LYS HB- 2.80 (# 1191:20 Unique 2.37, 3.06 A)
&rst
ixpk= 1191, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 547, 548,
&end
#
# 35 LYS HN 35 LYS HB+ 2.80 (# 1192:20 Unique 2.37, 3.06 A)
&rst
ixpk= 1192, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 547, 548,
&end
#
# 35 LYS HA 35 LYS HB- 2.80 (# 1193:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1193, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 547, 548,
&end
#
# 35 LYS HA 35 LYS HB+ 2.80 (# 1194:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1194, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 547, 548,
&end
#
# 35 LYS HG- 35 LYS HB- 3.50 (# 1195:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 550, 551,
igr2= 547, 548,
&end
#
# 35 LYS HG+ 35 LYS HB+ 3.50 (# 1196:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 550, 551,
igr2= 547, 548,
&end
#
# 36 LYS HN 35 LYS HG+ 5.50 (# 1197:20 Unique 2.91, 4.34 A)
&rst
ixpk= 1197, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 550, 551,
&end
#
# 36 LYS HN 35 LYS HG- 5.50 (# 1198:20 Unique 2.91, 4.34 A)
&rst
ixpk= 1198, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 550, 551,
&end
#
# 35 LYS HN 35 LYS HG+ 5.50 (# 1199:20 Unique 2.03, 3.04 A)
&rst
ixpk= 1199, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 550, 551,
&end
#
# 35 LYS HN 35 LYS HG- 5.50 (# 1200:20 Unique 2.03, 3.04 A)
&rst
ixpk= 1200, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 550, 551,
&end
#
# 35 LYS HA 35 LYS HG- 3.50 (# 1201:20 Unique 2.31, 3.42 A)
&rst
ixpk= 1201, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 550, 551,
&end
#
# 35 LYS HA 35 LYS HG+ 3.50 (# 1202:20 Unique 2.31, 3.42 A)
&rst
ixpk= 1202, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 550, 551,
&end
#
# 0 AMB 20-2:1203 0 AMB 20-1:1203 5.50 (# 1203:20 Double Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 556, 557, 556, 557,
igr2= 550, 551, 550, 551,
&end
#
# 35 LYS HA 0 AMB 20-1:1206 4.50 (# 1206:20 Single Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 2.80 (# 1207:20 Double Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 556, 557, 556, 557, 556, 557,
igr2= 553, 554, 553, 554, 553, 554,
&end
#
# 35 LYS HA 0 AMB 20-1:1208 4.50 (# 1208:20 Single Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 556, 557, 556, 557,
&end
#
# 0 AMB 20-2:1209 0 AMB 20-1:1209 2.80 (# 1209:20 Double Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 553, 554, 553, 554, 553, 554,
igr2= 556, 557, 556, 557, 556, 557,
&end
#
# 0 AMB 20-2:1210 0 AMB 20-1:1210 4.50 (# 1210:20 Double Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 550, 551, 550, 551,
igr2= 556, 557, 556, 557,
&end
#
# 35 LYS HG- 0 AMB 20-1:1211 3.50 (# 1211:20 Single Ambig)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 550, 551,
igr2= 556, 557, 556, 557,
&end
#
# 34 GLY HN 34 GLY HA+ 2.80 (# 1212:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1212, nxpk= 20, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 538, 539,
&end
#
# 34 GLY HN 34 GLY HA- 2.80 (# 1213:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1213, nxpk= 20, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 538, 539,
&end
#
# 35 LYS HN 34 GLY HA- 3.50 (# 1214:20 Unique 2.26, 3.09 A)
&rst
ixpk= 1214, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 538, 539,
&end
#
# 35 LYS HN 34 GLY HA+ 3.50 (# 1215:20 Unique 2.26, 3.09 A)
&rst
ixpk= 1215, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 538, 539,
&end
#
# 0 AMB 20-2:1216 0 AMB 20-1:1216 3.50 (# 1216:20 Double Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 531, 532, 543,
igr2= 526, 527, 526, 527,
&end
#
# 0 AMB 20-2:1217 33 ASN HB- 3.50 (# 1217:20 Single Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 531, 532, 543,
igr2= 526, 527,
&end
#
# 33 ASN HD2- 33 ASN HB+ 4.50 (# 1218:20 Unique 2.20, 3.44 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 526, 527,
&end
#
# 33 ASN HD2- 33 ASN HB- 4.50 (# 1219:20 Unique 2.20, 3.44 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 526, 527,
&end
#
# 33 ASN HA 33 ASN HB+ 2.80 (# 1220:20 Unique 2.35, 2.80 A)
&rst
ixpk= 1220, nxpk= 20, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 526, 527,
&end
#
# 33 ASN HA 33 ASN HB- 2.80 (# 1221:20 Unique 2.35, 2.80 A)
&rst
ixpk= 1221, nxpk= 20, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 526, 527,
&end
#
# 33 ASN HN 32 CYS HA 2.80 (# 1222:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1222, nxpk= 20, iat= 522, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 CYS HN 32 CYS HA 3.50 (# 1223:20 Unique 2.90, 2.93 A)
&rst
ixpk= 1223, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 VAL HN 32 CYS HA 4.50 (# 1224:20 Unique 3.28, 3.95 A)
&rst
ixpk= 1224, nxpk= 20, iat= 348, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ILE HA 32 CYS HA 2.80 (# 1225:20 Unique 2.16, 2.73 A)
&rst
ixpk= 1225, nxpk= 20, iat= 331, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 CYS HB+ 32 CYS HA 2.80 (# 1227:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 515, 516,
&end
#
# 32 CYS HB- 32 CYS HA 2.80 (# 1228:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 515, 516,
&end
#
# 21 ILE HG1+ 32 CYS HA 4.50 (# 1229:20 Unique 1.99, 4.12 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 339, 340,
&end
#
# 0 AMB 20-2:1230 32 CYS HA 2.80 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 342, 343, 344, 335, 336, 337,
&end
#
# 37 LEU MDY 32 CYS HA 5.50 (# 1231:20 Unique 4.05, 6.16 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HN 32 CYS HB+ 2.80 (# 1232:20 Unique 2.63, 3.22 A)
&rst
ixpk= 1232, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 515, 516,
&end
#
# 32 CYS HN 32 CYS HB- 3.50 (# 1233:20 Unique 2.63, 3.22 A)
&rst
ixpk= 1233, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 515, 516,
&end
#
# 32 CYS HA 32 CYS HB+ 2.80 (# 1234:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1234, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 515, 516,
&end
#
# 32 CYS HA 32 CYS HB- 2.80 (# 1235:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1235, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 515, 516,
&end
#
# 37 LEU HG 32 CYS HB+ 3.50 (# 1238:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1238, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 515, 516,
&end
#
# 37 LEU HG 32 CYS HB- 3.50 (# 1239:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1239, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 515, 516,
&end
#
# 0 AMB 20-2:1240 32 CYS HB- 4.50 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 339, 340, 591, 592,
igr2= 515, 516,
&end
#
# 0 AMB 20-2:1241 0 AMB 20-1:1241 2.80 (# 1241:20 Double Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 596, 597, 598, 600, 601, 602, 342, 343, 344,
igr2= 515, 516, 515, 516,
&end
#
# 0 AMB 20-2:1242 32 CYS HB- 2.80 (# 1242:20 Single Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 596, 597, 598, 600, 601, 602, 342, 343, 344,
igr2= 515, 516,
&end
#
# 54 ILE QD1 32 CYS HB- 5.50 (# 1244:20 Unique 3.56, 6.05 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 838, 839, 840,
igr2= 515, 516,
&end
#
# 37 LEU MDY 32 CYS HB- 2.80 (# 1245:20 Unique 2.00, 4.10 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 515, 516,
&end
#
# 37 LEU MDY 32 CYS HB+ 2.80 (# 1246:20 Unique 2.00, 4.10 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 596, 597, 598, 600, 601, 602,
igr2= 515, 516,
&end
#
# 32 CYS HN 31 TRP HA 2.80 (# 1247:20 Unique 2.15, 2.25 A)
&rst
ixpk= 1247, nxpk= 20, iat= 511, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 TRP HN 31 TRP HA 3.50 (# 1248:20 Unique 2.90, 2.93 A)
&rst
ixpk= 1248, nxpk= 20, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 LEU HN 31 TRP HA 4.50 (# 1249:20 Unique 2.58, 3.22 A)
&rst
ixpk= 1249, nxpk= 20, iat= 587, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LYS HA 31 TRP HA 2.80 (# 1251:20 Unique 1.97, 2.11 A)
&rst
ixpk= 1251, nxpk= 20, iat= 567, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 TRP HB+ 31 TRP HA 4.50 (# 1252:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 491, 492,
&end
#
# 31 TRP HB- 31 TRP HA 2.80 (# 1253:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 491, 492,
&end
#
# 32 CYS HN 31 TRP HB+ 5.50 (# 1254:20 Unique 2.64, 3.51 A)
&rst
ixpk= 1254, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 491, 492,
&end
#
# 32 CYS HN 31 TRP HB- 5.50 (# 1255:20 Unique 2.64, 3.51 A)
&rst
ixpk= 1255, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 491, 492,
&end
#
# 31 TRP HN 31 TRP HB- 2.80 (# 1256:20 Unique 2.21, 3.00 A)
&rst
ixpk= 1256, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 31 TRP HN 31 TRP HB+ 2.80 (# 1257:20 Unique 2.21, 3.00 A)
&rst
ixpk= 1257, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 31 TRP HD1 31 TRP HB+ 3.50 (# 1258:20 Unique 2.76, 3.55 A)
&rst
ixpk= 1258, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 491, 492,
&end
#
# 31 TRP HD1 31 TRP HB- 3.50 (# 1259:20 Unique 2.76, 3.55 A)
&rst
ixpk= 1259, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 491, 492,
&end
#
# 31 TRP HE3 31 TRP HB- 3.50 (# 1260:20 Unique 2.43, 3.00 A)
&rst
ixpk= 1260, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 491, 492,
&end
#
# 31 TRP HE3 31 TRP HB+ 3.50 (# 1261:20 Unique 2.43, 3.00 A)
&rst
ixpk= 1261, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 491, 492,
&end
#
# 31 TRP HA 31 TRP HB+ 2.80 (# 1262:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1262, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 31 TRP HA 31 TRP HB- 2.80 (# 1263:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1263, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 22 VAL HB 31 TRP HB+ 2.80 (# 1264:20 Unique 2.00, 2.89 A)
&rst
ixpk= 1264, nxpk= 20, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 22 VAL HB 31 TRP HB- 2.80 (# 1265:20 Unique 2.00, 2.89 A)
&rst
ixpk= 1265, nxpk= 20, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 491, 492,
&end
#
# 22 VAL MGX 31 TRP HB+ 4.50 (# 1266:20 Preassigned 2.97, 4.98 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 491, 492,
&end
#
# 22 VAL MGX 31 TRP HB- 5.50 (# 1267:20 Preassigned 2.97, 4.98 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 491, 492,
&end
#
# 30 VAL HN 30 VAL HB 2.80 (# 1268:20 Unique 2.77, 2.82 A)
&rst
ixpk= 1268, nxpk= 20, iat= 471, 475, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 VAL HA 30 VAL HB 3.50 (# 1269:20 Unique 2.41, 2.42 A)
&rst
ixpk= 1269, nxpk= 20, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR MG2 30 VAL HB 2.80 (# 1271:20 Unique 3.58, 4.65 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 627, 628, 629,
&end
#
# 30 VAL MGY 30 VAL HB 2.80 (# 1272:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL MGX 30 VAL HB 2.80 (# 1273:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 31 TRP HN 30 VAL MGX 3.50 (# 1275:20 Unique 2.44, 4.31 A)
&rst
ixpk= 1275, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL HN 30 VAL MGX 4.50 (# 1276:20 Unique 1.95, 3.67 A)
&rst
ixpk= 1276, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 37 LEU HN 30 VAL MGX 5.50 (# 1277:20 Unique 2.59, 4.72 A)
&rst
ixpk= 1277, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 52 PHE HE 30 VAL MGX 3.50 (# 1278:20 Unique 2.02, 5.42 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 808,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 37 LEU HG 30 VAL MGX 3.50 (# 1279:20 Unique 2.60, 5.02 A)
&rst
ixpk= 1279, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 52 PHE HZ 30 VAL MGX 4.50 (# 1280:20 Unique 2.41, 5.58 A)
&rst
ixpk= 1280, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1281 30 VAL MGX 3.50 (# 1281:20 Single Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 366, 623,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 31 TRP HA 30 VAL MGX 4.50 (# 1282:20 Preassigned 3.84, 5.12 A)
&rst
ixpk= 1282, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL HA 30 VAL MGX 2.80 (# 1283:20 Unique 2.34, 3.51 A)
&rst
ixpk= 1283, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 32 CYS HB+ 30 VAL MGX 3.50 (# 1284:20 Preassigned 3.44, 6.17 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 515, 516,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 21 ILE HB 30 VAL MGX 5.50 (# 1285:20 Preassigned 4.68, 7.40 A)
&rst
ixpk= 1285, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1286 30 VAL MGX 5.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 120, 121, 610, 611, 909, 910,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1288 30 VAL MGX 2.80 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 335, 336, 337, 596, 597, 598, 600, 601, 602,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 61 ILE QD1 30 VAL MGX 3.50 (# 1289:20 Preassigned 2.72, 5.95 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 939, 940, 941,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 31 TRP HN 30 VAL MGY 3.50 (# 1291:20 Unique 2.44, 4.31 A)
&rst
ixpk= 1291, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1292 30 VAL MGY 5.50 (# 1292:20 Single Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 364, 383,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL HN 30 VAL MGY 3.50 (# 1293:20 Unique 1.95, 3.67 A)
&rst
ixpk= 1293, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 52 PHE HD 30 VAL MGY 3.50 (# 1294:20 Unique 2.35, 5.20 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 802, 810,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1295 30 VAL MGY 3.50 (# 1295:20 Single Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 366, 623,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL HA 30 VAL MGY 2.80 (# 1296:20 Unique 2.34, 3.51 A)
&rst
ixpk= 1296, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 50 THR HB 30 VAL MGY 5.50 (# 1297:20 Preassigned 4.77, 6.87 A)
&rst
ixpk= 1297, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1298 30 VAL MGY 4.50 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 333, 463, 464, 390, 391,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:1299 30 VAL MGY 5.50 (# 1299:20 Single Ambig)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 453, 454, 455, 547, 548, 547, 548,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL HB 30 VAL MGY 2.80 (# 1301:20 Preassigned 2.22, 2.63 A)
&rst
ixpk= 1301, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 37 LEU HG 30 VAL MGY 3.50 (# 1302:20 Unique 2.60, 5.02 A)
&rst
ixpk= 1302, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 39 THR MG2 30 VAL MGY 2.80 (# 1303:20 Unique 2.11, 4.91 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 627, 628, 629,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 31 TRP HE1 29 ASP HB+ 4.50 (# 1304:20 Unique 2.04, 3.11 A)
&rst
ixpk= 1304, nxpk= 20, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 31 TRP HE1 29 ASP HB- 4.50 (# 1305:20 Unique 2.04, 3.11 A)
&rst
ixpk= 1305, nxpk= 20, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 30 VAL HN 29 ASP HB+ 4.50 (# 1306:20 Unique 3.51, 3.92 A)
&rst
ixpk= 1306, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 30 VAL HN 29 ASP HB- 3.50 (# 1307:20 Unique 3.51, 3.92 A)
&rst
ixpk= 1307, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 463, 464,
&end
#
# 24 GLU HN 29 ASP HB+ 5.50 (# 1308:20 Unique 3.93, 4.85 A)
&rst
ixpk= 1308, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 29 ASP HN 29 ASP HB+ 2.80 (# 1309:20 Unique 2.77, 3.41 A)
&rst
ixpk= 1309, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 463, 464,
&end
#
# 29 ASP HN 29 ASP HB- 2.80 (# 1310:20 Unique 2.77, 3.41 A)
&rst
ixpk= 1310, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 463, 464,
&end
#
# 0 AMB 20-2:1313 0 AMB 20-1:1313 5.50 (# 1313:20 Double Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 569, 570, 575, 576,
igr2= 463, 464, 463, 464,
&end
#
# 0 AMB 20-2:1314 29 ASP HB- 4.50 (# 1314:20 Single Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 569, 570, 575, 576,
igr2= 463, 464,
&end
#
# 27 ALA MB 29 ASP HB+ 3.50 (# 1315:20 Unique 2.88, 4.86 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 436, 437, 438,
igr2= 463, 464,
&end
#
# 36 LYS HG+ 29 ASP HB+ 4.50 (# 1316:20 Unique 2.19, 4.14 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 572, 573,
igr2= 463, 464,
&end
#
# 27 ALA MB 29 ASP HB- 5.50 (# 1317:20 Unique 2.88, 4.86 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 436, 437, 438,
igr2= 463, 464,
&end
#
# 36 LYS HG- 29 ASP HB- 5.50 (# 1318:20 Unique 2.19, 4.14 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 572, 573,
igr2= 463, 464,
&end
#
# 28 MET HN 28 MET HA 2.80 (# 1319:20 Unique 2.27, 2.27 A)
&rst
ixpk= 1319, nxpk= 20, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 ASP HN 28 MET HA 2.80 (# 1320:20 Unique 2.49, 2.63 A)
&rst
ixpk= 1320, nxpk= 20, iat= 459, 444, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 LYS HA 28 MET HA 5.50 (# 1321:20 Unique 2.97, 3.52 A)
&rst
ixpk= 1321, nxpk= 20, iat= 400, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 MET HG- 28 MET HA 2.80 (# 1322:20 Unique 2.17, 3.14 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 449, 450,
&end
#
# 28 MET HB+ 28 MET HA 2.80 (# 1323:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 446, 447,
&end
#
# 28 MET HB- 28 MET HA 2.80 (# 1324:20 Preassigned 2.46, 2.79 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 446, 447,
&end
#
# 28 MET ME 28 MET HA 5.50 (# 1325:20 Unique 2.01, 3.23 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 453, 454, 455,
&end
#
# 27 ALA MB 28 MET HA 5.50 (# 1326:20 Unique 4.60, 5.50 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 436, 437, 438,
&end
#
# 23 LEU MDX 28 MET HA 3.50 (# 1327:20 Unique 3.39, 4.93 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 28 MET HN 28 MET HB+ 5.50 (# 1329:20 Unique 3.30, 3.73 A)
&rst
ixpk= 1329, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 446, 447,
&end
#
# 28 MET HN 28 MET HB- 5.50 (# 1330:20 Unique 3.30, 3.73 A)
&rst
ixpk= 1330, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 446, 447,
&end
#
# 28 MET HA 28 MET HB+ 3.50 (# 1331:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1331, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 446, 447,
&end
#
# 28 MET HA 28 MET HB- 2.80 (# 1332:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1332, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 446, 447,
&end
#
# 28 MET HG+ 28 MET HB+ 2.80 (# 1333:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 28 MET HG+ 28 MET HB- 2.80 (# 1334:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 28 MET HG- 28 MET HB+ 2.80 (# 1335:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 28 MET HG- 28 MET HB- 2.80 (# 1336:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 28 MET ME 28 MET HB- 3.50 (# 1337:20 Unique 2.00, 3.80 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 453, 454, 455,
igr2= 446, 447,
&end
#
# 28 MET ME 28 MET HB+ 3.50 (# 1338:20 Unique 2.00, 3.80 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 453, 454, 455,
igr2= 446, 447,
&end
#
# 28 MET HN 28 MET HG+ 5.50 (# 1339:20 Unique 2.77, 3.56 A)
&rst
ixpk= 1339, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 449, 450,
&end
#
# 28 MET HN 28 MET HG- 3.50 (# 1340:20 Unique 2.77, 3.56 A)
&rst
ixpk= 1340, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 449, 450,
&end
#
# 28 MET HA 28 MET HG+ 4.50 (# 1341:20 Unique 2.17, 3.14 A)
&rst
ixpk= 1341, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 449, 450,
&end
#
# 28 MET HA 28 MET HG- 3.50 (# 1342:20 Unique 2.17, 3.14 A)
&rst
ixpk= 1342, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 449, 450,
&end
#
# 28 MET HB+ 28 MET HG+ 2.80 (# 1343:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 28 MET HB- 28 MET HG+ 2.80 (# 1344:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 28 MET HB- 28 MET HG- 2.80 (# 1345:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 28 MET HB+ 28 MET HG- 2.80 (# 1346:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 28 MET ME 28 MET HG+ 2.80 (# 1347:20 Unique 2.24, 3.70 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 453, 454, 455,
igr2= 449, 450,
&end
#
# 28 MET ME 28 MET HG- 2.80 (# 1348:20 Unique 2.24, 3.70 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 453, 454, 455,
igr2= 449, 450,
&end
#
# 28 MET HN 28 MET ME 5.50 (# 1349:20 Unique 3.66, 5.16 A)
&rst
ixpk= 1349, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 453, 454, 455,
&end
#
# 75 HIS HD2 28 MET ME 3.50 (# 1350:20 Unique 2.70, 5.71 A)
&rst
ixpk= 1350, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 453, 454, 455,
&end
#
# 0 AMB 20-2:1352 28 MET ME 3.50 (# 1352:20 Single Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 444, 738,
igr2= 453, 454, 455,
&end
#
# 50 THR HB 28 MET ME 4.50 (# 1353:20 Unique 4.31, 5.46 A)
&rst
ixpk= 1353, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 453, 454, 455,
&end
#
# 28 MET HG+ 28 MET ME 2.80 (# 1354:20 Unique 2.24, 3.70 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 449, 450,
igr2= 453, 454, 455,
&end
#
# 28 MET HG- 28 MET ME 2.80 (# 1355:20 Unique 2.24, 3.70 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 449, 450,
igr2= 453, 454, 455,
&end
#
# 48 THR MG2 28 MET ME 4.50 (# 1356:20 Unique 2.32, 5.18 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 740, 741, 742,
igr2= 453, 454, 455,
&end
#
# 50 THR MG2 28 MET ME 4.50 (# 1358:20 Unique 3.05, 5.12 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 769, 770, 771,
igr2= 453, 454, 455,
&end
#
# 61 ILE QG2 28 MET ME 3.50 (# 1359:20 Unique 3.30, 5.76 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 932, 933, 934,
igr2= 453, 454, 455,
&end
#
# 23 LEU MDX 28 MET ME 2.80 (# 1360:20 Unique 3.46, 5.63 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 453, 454, 455,
&end
#
# 23 LEU MDY 28 MET ME 2.80 (# 1361:20 Unique 3.46, 5.63 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 453, 454, 455,
&end
#
# 0 AMB 20-2:1362 28 MET ME 4.50 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 477, 478, 479, 481, 482, 483,1118,1119,1120,
igr2= 453, 454, 455,
&end
#
# 26 ASP HN 26 ASP HA 2.80 (# 1363:20 Unique 2.80, 2.84 A)
&rst
ixpk= 1363, nxpk= 20, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 MET HN 26 ASP HA 4.50 (# 1364:20 Unique 4.20, 4.44 A)
&rst
ixpk= 1364, nxpk= 20, iat= 442, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1365 26 ASP HA 3.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 402, 403, 402, 403,
&end
#
# 26 ASP HB+ 26 ASP HA 2.80 (# 1366:20 Unique 2.41, 2.79 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 424, 425,
&end
#
# 26 ASP HB- 26 ASP HA 2.80 (# 1367:20 Unique 2.41, 2.79 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 424, 425,
&end
#
# 26 ASP HN 26 ASP HB+ 2.80 (# 1369:20 Unique 2.24, 2.55 A)
&rst
ixpk= 1369, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 26 ASP HN 26 ASP HB- 2.80 (# 1370:20 Unique 2.24, 2.55 A)
&rst
ixpk= 1370, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 27 ALA HN 26 ASP HB+ 2.80 (# 1371:20 Unique 3.02, 3.64 A)
&rst
ixpk= 1371, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 27 ALA HN 26 ASP HB- 2.80 (# 1372:20 Unique 3.02, 3.64 A)
&rst
ixpk= 1372, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 26 ASP HA 26 ASP HB+ 2.80 (# 1373:20 Preassigned 2.41, 2.79 A)
&rst
ixpk= 1373, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 26 ASP HA 26 ASP HB- 2.80 (# 1374:20 Preassigned 2.41, 2.79 A)
&rst
ixpk= 1374, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 27 ALA MB 26 ASP HB- 4.50 (# 1375:20 Preassigned 3.65, 5.55 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 436, 437, 438,
igr2= 424, 425,
&end
#
# 26 ASP HN 25 LYS HA 5.50 (# 1376:20 Unique 3.47, 3.56 A)
&rst
ixpk= 1376, nxpk= 20, iat= 420, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS HN 25 LYS HA 3.50 (# 1377:20 Unique 2.89, 2.92 A)
&rst
ixpk= 1377, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 MET HN 25 LYS HA 4.50 (# 1378:20 Unique 2.88, 3.31 A)
&rst
ixpk= 1378, nxpk= 20, iat= 442, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 MET ME 25 LYS HA 5.50 (# 1379:20 Unique 2.68, 4.82 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 453, 454, 455,
&end
#
# 0 AMB 20-2:1380 25 LYS HA 3.50 (# 1380:20 Single Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 408, 409, 408, 409,
&end
#
# 0 AMB 20-2:1381 25 LYS HA 2.80 (# 1381:20 Single Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 402, 403, 402, 403,
&end
#
# 25 LYS HG+ 25 LYS HA 2.80 (# 1382:20 Unique 2.21, 2.87 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 405, 406,
&end
#
# 25 LYS HG- 25 LYS HA 2.80 (# 1383:20 Unique 2.21, 2.87 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 405, 406,
&end
#
# 23 LEU MDY 25 LYS HA 4.50 (# 1384:20 Unique 3.13, 5.01 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU MDX 25 LYS HA 2.80 (# 1385:20 Unique 3.13, 5.01 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LYS HN 0 AMB 20-1:1386 2.80 (# 1386:20 Single Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 402, 403, 402, 403,
&end
#
# 26 ASP HN 0 AMB 20-1:1387 5.50 (# 1387:20 Single Ambig)
&rst
ixpk= 1387, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 402, 403, 402, 403,
&end
#
# 0 AMB 20-2:1389 0 AMB 20-1:1389 3.50 (# 1389:20 Double Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 422, 92, 90,1133,
igr2= 402, 403, 402, 403, 402, 403, 402, 403, 402, 403,
&end
#
# 25 LYS HA 0 AMB 20-1:1390 2.80 (# 1390:20 Single Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 402, 403, 402, 403,
&end
#
# 0 AMB 20-2:1391 0 AMB 20-1:1391 5.50 (# 1391:20 Double Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 411, 412, 411, 412,
igr2= 402, 403, 402, 403,
&end
#
# 25 LYS HE- 0 AMB 20-1:1392 5.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 411, 412,
igr2= 402, 403, 402, 403,
&end
#
# 25 LYS HG- 0 AMB 20-1:1393 2.80 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 405, 406,
igr2= 402, 403, 402, 403,
&end
#
# 0 AMB 20-2:1394 0 AMB 20-1:1394 2.80 (# 1394:20 Double Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 405, 406, 405, 406,
igr2= 402, 403, 402, 403,
&end
#
# 23 LEU MDY 0 AMB 20-1:1395 3.50 (# 1395:20 Single Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 402, 403, 402, 403,
&end
#
# 25 LYS HN 25 LYS HG- 3.50 (# 1396:20 Unique 2.34, 3.43 A)
&rst
ixpk= 1396, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 405, 406,
&end
#
# 25 LYS HN 25 LYS HG+ 3.50 (# 1397:20 Unique 2.34, 3.43 A)
&rst
ixpk= 1397, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 405, 406,
&end
#
# 25 LYS HA 25 LYS HG+ 3.50 (# 1398:20 Unique 2.21, 2.87 A)
&rst
ixpk= 1398, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 405, 406,
&end
#
# 25 LYS HA 25 LYS HG- 5.50 (# 1399:20 Unique 2.21, 2.87 A)
&rst
ixpk= 1399, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 405, 406,
&end
#
# 25 LYS HE- 25 LYS HG+ 4.50 (# 1400:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 411, 412,
igr2= 405, 406,
&end
#
# 25 LYS HE+ 25 LYS HG+ 4.50 (# 1401:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 411, 412,
igr2= 405, 406,
&end
#
# 25 LYS HE- 25 LYS HG- 5.50 (# 1402:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 411, 412,
igr2= 405, 406,
&end
#
# 25 LYS HE+ 25 LYS HG- 5.50 (# 1403:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 411, 412,
igr2= 405, 406,
&end
#
# 0 AMB 20-2:1404 0 AMB 20-1:1404 2.80 (# 1404:20 Double Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 408, 409, 408, 409,
igr2= 405, 406, 405, 406,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 2.80 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 402, 403, 402, 403,
igr2= 405, 406, 405, 406,
&end
#
# 0 AMB 20-2:1406 25 LYS HG- 2.80 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 408, 409, 408, 409,
igr2= 405, 406,
&end
#
# 0 AMB 20-2:1407 25 LYS HG- 2.80 (# 1407:20 Single Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 402, 403, 402, 403,
igr2= 405, 406,
&end
#
# 23 LEU MDY 25 LYS HG+ 3.50 (# 1408:20 Unique 2.94, 5.37 A)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 405, 406,
&end
#
# 23 LEU MDY 25 LYS HG- 3.50 (# 1409:20 Unique 2.94, 5.37 A)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 405, 406,
&end
#
# 25 LYS HN 0 AMB 20-1:1410 5.50 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 408, 409, 408, 409,
&end
#
# 75 HIS HE1 0 AMB 20-1:1411 5.50 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 408, 409, 408, 409,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 2.80 (# 1412:20 Double Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 411, 412, 411, 412,1154,1155,
igr2= 408, 409, 408, 409, 408, 409,
&end
#
# 25 LYS HA 25 LYS HE+ 5.50 (# 1414:20 Unique 3.97, 4.83 A)
&rst
ixpk= 1414, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 411, 412,
&end
#
# 25 LYS HA 25 LYS HE- 5.50 (# 1415:20 Preassigned 3.97, 4.83 A)
&rst
ixpk= 1415, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 411, 412,
&end
#
# 25 LYS HG- 25 LYS HE+ 3.50 (# 1416:20 Preassigned 2.07, 3.31 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 405, 406,
igr2= 411, 412,
&end
#
# 25 LYS HG- 25 LYS HE- 2.80 (# 1417:20 Preassigned 2.07, 3.31 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 405, 406,
igr2= 411, 412,
&end
#
# 25 LYS HG+ 25 LYS HE+ 3.50 (# 1418:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 405, 406,
igr2= 411, 412,
&end
#
# 25 LYS HG+ 25 LYS HE- 2.80 (# 1419:20 Unique 2.07, 3.31 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 405, 406,
igr2= 411, 412,
&end
#
# 24 GLU HN 24 GLU HB+ 2.80 (# 1420:20 Unique 2.22, 3.09 A)
&rst
ixpk= 1420, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 387, 388,
&end
#
# 24 GLU HN 24 GLU HB- 2.80 (# 1421:20 Unique 2.22, 3.09 A)
&rst
ixpk= 1421, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 387, 388,
&end
#
# 29 ASP HN 24 GLU HB+ 3.50 (# 1422:20 Unique 1.95, 2.84 A)
&rst
ixpk= 1422, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 29 ASP HN 24 GLU HB- 3.50 (# 1423:20 Unique 1.95, 2.84 A)
&rst
ixpk= 1423, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:1424 24 GLU HB- 5.50 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 504, 506,
igr2= 387, 388,
&end
#
# 31 TRP HD1 24 GLU HB- 5.50 (# 1425:20 Preassigned 4.46, 6.29 A)
&rst
ixpk= 1425, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 388,
&end
#
# 29 ASP HB+ 24 GLU HB+ 3.50 (# 1428:20 Unique 2.78, 4.71 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 463, 464,
igr2= 387, 388,
&end
#
# 29 ASP HB+ 24 GLU HB- 2.80 (# 1429:20 Unique 2.78, 4.71 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 463, 464,
igr2= 387, 388,
&end
#
# 7 THR MG2 24 GLU HB- 5.50 (# 1430:20 Unique 3.18, 4.68 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 108, 109, 110,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:1431 0 AMB 20-1:1431 5.50 (# 1431:20 Double Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 373, 374, 375, 377, 378, 379, 354, 355, 356, 358,
359, 360,
igr2= 387, 388, 387, 388,
&end
#
# 0 AMB 20-2:1432 24 GLU HB- 4.50 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 373, 374, 375, 377, 378, 379, 354, 355, 356, 358,
359, 360,
igr2= 387, 388,
&end
#
# 31 TRP HE1 24 GLU HG+ 3.50 (# 1433:20 Unique 3.36, 5.33 A)
&rst
ixpk= 1433, nxpk= 20, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 31 TRP HE1 24 GLU HG- 5.50 (# 1434:20 Unique 3.36, 5.33 A)
&rst
ixpk= 1434, nxpk= 20, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 390, 391,
&end
#
# 24 GLU HN 24 GLU HG+ 3.50 (# 1435:20 Unique 2.40, 3.10 A)
&rst
ixpk= 1435, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 24 GLU HN 24 GLU HG- 3.50 (# 1436:20 Unique 2.40, 3.10 A)
&rst
ixpk= 1436, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 31 TRP HD1 24 GLU HG+ 3.50 (# 1437:20 Preassigned 3.07, 5.16 A)
&rst
ixpk= 1437, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 31 TRP HD1 24 GLU HG- 3.50 (# 1438:20 Preassigned 3.07, 5.16 A)
&rst
ixpk= 1438, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 29 ASP HN 24 GLU HG+ 5.50 (# 1439:20 Unique 2.83, 4.23 A)
&rst
ixpk= 1439, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 390, 391,
&end
#
# 29 ASP HN 24 GLU HG- 5.50 (# 1440:20 Unique 2.83, 4.23 A)
&rst
ixpk= 1440, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 390, 391,
&end
#
# 23 LEU HA 24 GLU HG+ 5.50 (# 1441:20 Unique 3.53, 4.44 A)
&rst
ixpk= 1441, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 390, 391,
&end
#
# 23 LEU HA 24 GLU HG- 5.50 (# 1442:20 Unique 3.53, 4.44 A)
&rst
ixpk= 1442, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 390, 391,
&end
#
# 7 THR MG2 24 GLU HG+ 3.50 (# 1445:20 Unique 2.00, 3.28 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 108, 109, 110,
igr2= 390, 391,
&end
#
# 7 THR MG2 24 GLU HG- 2.80 (# 1446:20 Unique 2.00, 3.28 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 108, 109, 110,
igr2= 390, 391,
&end
#
# 22 VAL MGX 24 GLU HG+ 3.50 (# 1447:20 Preassigned 2.78, 5.70 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 390, 391,
&end
#
# 22 VAL MGX 24 GLU HG- 3.50 (# 1448:20 Preassigned 2.78, 5.70 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:1450 23 LEU HA 2.80 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 383, 364,
&end
#
# 23 LEU HB+ 23 LEU HA 3.50 (# 1451:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 368, 369,
&end
#
# 23 LEU HB- 23 LEU HA 3.50 (# 1452:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 368, 369,
&end
#
# 30 VAL HB 23 LEU HA 4.50 (# 1453:20 Preassigned 3.20, 3.61 A)
&rst
ixpk= 1453, nxpk= 20, iat= 475, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 LEU MDX 23 LEU HA 2.80 (# 1454:20 Unique 2.00, 3.56 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HN 23 LEU HB+ 3.50 (# 1455:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1455, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 23 LEU HN 23 LEU HB- 3.50 (# 1456:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1456, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 10 TRP HZ3 23 LEU HB+ 5.50 (# 1457:20 Unique 2.00, 8.88 A)
&rst
ixpk= 1457, nxpk= 20, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 10 TRP HZ3 23 LEU HB- 3.50 (# 1458:20 Unique 2.00, 8.88 A)
&rst
ixpk= 1458, nxpk= 20, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 23 LEU HA 23 LEU HB+ 5.50 (# 1459:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1459, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 23 LEU HA 23 LEU HB- 3.50 (# 1460:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1460, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 0 AMB 20-2:1461 0 AMB 20-1:1461 4.50 (# 1461:20 Double Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 371, 475,
igr2= 368, 369, 368, 369,
&end
#
# 0 AMB 20-2:1462 23 LEU HB- 5.50 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 371, 475,
igr2= 368, 369,
&end
#
# 23 LEU MDX 23 LEU HB+ 5.50 (# 1463:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 368, 369,
&end
#
# 23 LEU MDX 23 LEU HB- 3.50 (# 1464:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 368, 369,
&end
#
# 23 LEU MDY 23 LEU HB- 2.80 (# 1465:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 368, 369,
&end
#
# 23 LEU MDY 23 LEU HB+ 3.50 (# 1466:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 368, 369,
&end
#
# 24 GLU HN 23 LEU MDX 2.80 (# 1467:20 Unique 2.02, 3.76 A)
&rst
ixpk= 1467, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 MET HN 23 LEU MDX 3.50 (# 1468:20 Preassigned 4.51, 6.10 A)
&rst
ixpk= 1468, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HA 23 LEU MDX 2.80 (# 1469:20 Unique 2.00, 3.56 A)
&rst
ixpk= 1469, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 MET HA 23 LEU MDX 2.80 (# 1470:20 Unique 3.39, 4.93 A)
&rst
ixpk= 1470, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LYS HA 23 LEU MDX 3.50 (# 1471:20 Unique 3.13, 5.01 A)
&rst
ixpk= 1471, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 MET ME 23 LEU MDX 2.80 (# 1472:20 Unique 3.46, 5.63 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 453, 454, 455,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 8 ASN HB+ 23 LEU MDX 3.50 (# 1473:20 Unique 2.66, 5.76 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 120, 121,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HB+ 23 LEU MDX 3.50 (# 1474:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:1476 23 LEU MDX 2.80 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 936, 937, 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 30 VAL MGX 23 LEU MDX 3.50 (# 1477:20 Unique 2.69, 6.20 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 29 ASP HA 23 LEU MDX 4.50 (# 1478:20 Unique 4.33, 6.27 A)
&rst
ixpk= 1478, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 24 GLU HN 23 LEU MDY 5.50 (# 1479:20 Unique 2.02, 3.76 A)
&rst
ixpk= 1479, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 TRP HZ2 23 LEU MDY 5.50 (# 1480:20 Unique 4.13,11.84 A)
&rst
ixpk= 1480, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:1481 23 LEU MDY 2.80 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1163, 159,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 52 PHE HE 23 LEU MDY 5.50 (# 1482:20 Unique 3.78, 7.98 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 804, 808,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HA 23 LEU MDY 5.50 (# 1483:20 Unique 2.00, 3.56 A)
&rst
ixpk= 1483, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 75 HIS HB+ 23 LEU MDY 5.50 (# 1486:20 Unique 2.37, 5.21 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1154,1155,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:1487 23 LEU MDY 3.50 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1154,1155, 411, 412, 411, 412,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HB+ 23 LEU MDY 2.80 (# 1488:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 8 ASN HB- 23 LEU MDY 4.50 (# 1489:20 Unique 2.66, 5.76 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 120, 121,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU HB- 23 LEU MDY 2.80 (# 1490:20 Unique 2.13, 3.41 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 61 ILE QG2 23 LEU MDY 2.80 (# 1492:20 Unique 2.31, 5.52 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 932, 933, 934,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 77 LEU MDX 23 LEU MDY 5.50 (# 1493:20 Unique 2.26, 7.55 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 TRP HN 22 VAL HA 4.50 (# 1495:20 Unique 3.56, 3.86 A)
&rst
ixpk= 1495, nxpk= 20, iat= 144, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 VAL HN 22 VAL HA 2.80 (# 1496:20 Unique 2.91, 2.94 A)
&rst
ixpk= 1496, nxpk= 20, iat= 348, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 LEU HN 22 VAL HA 2.80 (# 1497:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1497, nxpk= 20, iat= 364, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 THR HA 22 VAL HA 2.80 (# 1498:20 Unique 2.43, 2.60 A)
&rst
ixpk= 1498, nxpk= 20, iat= 132, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 VAL HB 22 VAL HA 3.50 (# 1499:20 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1499, nxpk= 20, iat= 352, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 VAL MGY 22 VAL HA 2.80 (# 1500:20 Unique 2.27, 3.11 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 22 VAL MGX 22 VAL HA 2.80 (# 1501:20 Preassigned 2.27, 3.11 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 22 VAL HN 22 VAL HB 2.80 (# 1502:20 Preassigned 2.64, 2.74 A)
&rst
ixpk= 1502, nxpk= 20, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 VAL HA 22 VAL HB 3.50 (# 1503:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1503, nxpk= 20, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 TRP HB+ 22 VAL HB 2.80 (# 1504:20 Unique 2.00, 2.89 A)
&rst
ixpk= 1504, nxpk= 20, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 491, 492,
&end
#
# 31 TRP HB- 22 VAL HB 2.80 (# 1505:20 Unique 2.00, 2.89 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 491, 492,
&end
#
# 22 VAL MGY 22 VAL HB 2.80 (# 1506:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 22 VAL MGX 22 VAL HB 2.80 (# 1507:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 31 TRP HN 22 VAL MGX 4.50 (# 1508:20 Unique 4.01, 5.48 A)
&rst
ixpk= 1508, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 20-2:1509 0 AMB 20-1:1509 2.80 (# 1509:20 Double Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 364, 184,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 0 AMB 20-2:1510 0 AMB 20-1:1510 2.80 (# 1510:20 Double Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 350,
igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
359, 360,
&end
#
# 22 VAL HN 22 VAL MGY 2.80 (# 1511:20 Preassigned 2.68, 4.17 A)
&rst
ixpk= 1511, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 20-2:1512 0 AMB 20-1:1512 2.80 (# 1512:20 Double Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 350,
igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
359, 360,
&end
#
# 21 ILE HN 20 ARG HA 2.80 (# 1514:20 Unique 2.14, 2.18 A)
&rst
ixpk= 1514, nxpk= 20, iat= 329, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 ARG HN 20 ARG HA 2.80 (# 1515:20 Unique 2.85, 2.90 A)
&rst
ixpk= 1515, nxpk= 20, iat= 305, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1516 20 ARG HA 4.50 (# 1516:20 Single Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 315, 316, 315, 316,
&end
#
# 20 ARG HB+ 20 ARG HA 2.80 (# 1517:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 309, 310,
&end
#
# 20 ARG HB- 20 ARG HA 2.80 (# 1518:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 309, 310,
&end
#
# 20 ARG HG- 20 ARG HA 3.50 (# 1519:20 Unique 2.28, 2.87 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 312, 313,
&end
#
# 20 ARG HG+ 20 ARG HA 3.50 (# 1520:20 Unique 2.28, 2.87 A)
&rst
ixpk= 1520, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 312, 313,
&end
#
# 0 AMB 20-2:1521 20 ARG HA 3.50 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343, 344, 174, 175, 176, 178, 179, 180,
&end
#
# 21 ILE HN 20 ARG HB+ 5.50 (# 1522:20 Unique 3.29, 4.12 A)
&rst
ixpk= 1522, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 309, 310,
&end
#
# 21 ILE HN 20 ARG HB- 5.50 (# 1523:20 Unique 3.29, 4.12 A)
&rst
ixpk= 1523, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 309, 310,
&end
#
# 20 ARG HN 20 ARG HB+ 2.80 (# 1524:20 Unique 2.19, 2.66 A)
&rst
ixpk= 1524, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 309, 310,
&end
#
# 20 ARG HN 20 ARG HB- 2.80 (# 1525:20 Unique 2.19, 2.66 A)
&rst
ixpk= 1525, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 309, 310,
&end
#
# 20 ARG HA 20 ARG HB+ 2.80 (# 1526:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1526, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 309, 310,
&end
#
# 20 ARG HA 20 ARG HB- 2.80 (# 1527:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1527, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 309, 310,
&end
#
# 0 AMB 20-2:1530 0 AMB 20-1:1530 2.80 (# 1530:20 Double Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 315, 316, 315, 316,
igr2= 309, 310, 309, 310,
&end
#
# 0 AMB 20-2:1531 20 ARG HB- 2.80 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 315, 316, 315, 316,
igr2= 309, 310,
&end
#
# 20 ARG HG- 20 ARG HB+ 2.80 (# 1532:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 312, 313,
igr2= 309, 310,
&end
#
# 20 ARG HG- 20 ARG HB- 2.80 (# 1533:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 312, 313,
igr2= 309, 310,
&end
#
# 21 ILE HN 20 ARG HG+ 5.50 (# 1534:20 Unique 2.17, 3.28 A)
&rst
ixpk= 1534, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 312, 313,
&end
#
# 21 ILE HN 20 ARG HG- 5.50 (# 1535:20 Unique 2.17, 3.28 A)
&rst
ixpk= 1535, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 312, 313,
&end
#
# 20 ARG HA 20 ARG HG+ 2.80 (# 1536:20 Unique 2.28, 2.87 A)
&rst
ixpk= 1536, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 312, 313,
&end
#
# 20 ARG HA 20 ARG HG- 2.80 (# 1537:20 Unique 2.28, 2.87 A)
&rst
ixpk= 1537, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 312, 313,
&end
#
# 0 AMB 20-2:1538 0 AMB 20-1:1538 2.80 (# 1538:20 Double Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 315, 316, 315, 316,
igr2= 312, 313, 312, 313,
&end
#
# 0 AMB 20-2:1539 20 ARG HG- 2.80 (# 1539:20 Single Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 315, 316, 315, 316,
igr2= 312, 313,
&end
#
# 20 ARG HB+ 20 ARG HG+ 2.80 (# 1540:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 309, 310,
igr2= 312, 313,
&end
#
# 20 ARG HB+ 20 ARG HG- 2.80 (# 1541:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 309, 310,
igr2= 312, 313,
&end
#
# 20 ARG HA 0 AMB 20-1:1542 2.80 (# 1542:20 Single Ambig)
&rst
ixpk= 1542, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 315, 316, 315, 316,
&end
#
# 69 ARG HA 0 AMB 20-1:1545 2.80 (# 1545:20 Single Ambig)
&rst
ixpk= 1545, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1054,1055,1054,1055,
&end
#
# 0 AMB 20-2:1546 0 AMB 20-1:1546 2.80 (# 1546:20 Double Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 309, 310, 309, 310, 8, 9,
igr2= 315, 316, 315, 316, 41, 42,
&end
#
# 0 AMB 20-2:1547 0 AMB 20-1:1547 2.80 (# 1547:20 Double Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 35, 36,1048,1049,1048,1049, 8, 9,
igr2= 41, 42,1054,1055,1054,1055,
&end
#
# 0 AMB 20-2:1548 0 AMB 20-1:1548 2.80 (# 1548:20 Double Ambig)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 35, 36,1048,1049, 309, 310,
igr2= 41, 42,1054,1055,1054,1055, 315, 316, 315, 316,
&end
#
# 0 AMB 20-2:1549 0 AMB 20-1:1549 2.80 (# 1549:20 Double Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 38, 39,1051,1052,1051,1052,1051,1052,
igr2= 41, 42,1054,1055,1054,1055,1054,1055,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 2.80 (# 1550:20 Double Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 312, 313, 312, 313,1075,1076,1075,1076,1075,1076,
igr2= 315, 316, 315, 316,1054,1055,1054,1055,1054,1055,
&end
#
# 20 ARG HG- 0 AMB 20-1:1551 2.80 (# 1551:20 Single Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 312, 313,
igr2= 315, 316, 315, 316,
&end
#
# 0 AMB 20-2:1552 0 AMB 20-1:1552 2.80 (# 1552:20 Double Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
igr2= 315, 316, 315, 316, 315, 316,
&end
#
# 19 PHE HN 19 PHE HB+ 3.50 (# 1553:20 Unique 2.22, 3.17 A)
&rst
ixpk= 1553, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 289, 290,
&end
#
# 19 PHE HN 19 PHE HB- 3.50 (# 1554:20 Unique 2.22, 3.17 A)
&rst
ixpk= 1554, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 289, 290,
&end
#
# 19 PHE HD 19 PHE HB+ 2.80 (# 1555:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 293, 301,
igr2= 289, 290,
&end
#
# 19 PHE HD 19 PHE HB- 2.80 (# 1556:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 293, 301,
igr2= 289, 290,
&end
#
# 19 PHE HA 19 PHE HB+ 3.50 (# 1557:20 Unique 2.39, 2.74 A)
&rst
ixpk= 1557, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 289, 290,
&end
#
# 19 PHE HA 19 PHE HB- 4.50 (# 1558:20 Unique 2.39, 2.74 A)
&rst
ixpk= 1558, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 290,
&end
#
# 0 AMB 20-2:1559 0 AMB 20-1:1559 3.50 (# 1559:20 Double Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199,
igr2= 289, 290, 289, 290,
&end
#
# 0 AMB 20-2:1560 19 PHE HB- 3.50 (# 1560:20 Single Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199,
igr2= 289, 290,
&end
#
# 54 ILE QD1 19 PHE HB+ 5.50 (# 1561:20 Unique 2.41, 5.24 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 838, 839, 840,
igr2= 289, 290,
&end
#
# 19 PHE HN 18 ASN HA 2.80 (# 1562:20 Unique 2.14, 2.23 A)
&rst
ixpk= 1562, nxpk= 20, iat= 285, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 MET HN 18 ASN HA 3.50 (# 1563:20 Unique 2.29, 3.87 A)
&rst
ixpk= 1563, nxpk= 20, iat= 220, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ASN HN 18 ASN HA 2.80 (# 1564:20 Unique 2.81, 2.92 A)
&rst
ixpk= 1564, nxpk= 20, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 PHE HD 18 ASN HA 4.50 (# 1565:20 Unique 2.77, 4.95 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 293, 301,
&end
#
# 13 HIS HA 18 ASN HA 2.80 (# 1566:20 Unique 2.05, 2.68 A)
&rst
ixpk= 1566, nxpk= 20, iat= 205, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 PHE HB+ 18 ASN HA 5.50 (# 1567:20 Unique 4.32, 5.12 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 289, 290,
&end
#
# 18 ASN HB+ 18 ASN HA 2.80 (# 1568:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 275, 276,
&end
#
# 18 ASN HB- 18 ASN HA 2.80 (# 1569:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 275, 276,
&end
#
# 19 PHE HN 18 ASN HB+ 3.50 (# 1570:20 Unique 2.40, 3.64 A)
&rst
ixpk= 1570, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 275, 276,
&end
#
# 19 PHE HN 18 ASN HB- 3.50 (# 1571:20 Unique 2.40, 3.64 A)
&rst
ixpk= 1571, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 275, 276,
&end
#
# 18 ASN HN 18 ASN HB+ 2.80 (# 1572:20 Unique 2.19, 3.04 A)
&rst
ixpk= 1572, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 275, 276,
&end
#
# 18 ASN HN 18 ASN HB- 2.80 (# 1573:20 Unique 2.19, 3.04 A)
&rst
ixpk= 1573, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 275, 276,
&end
#
# 18 ASN HD2+ 18 ASN HB- 5.50 (# 1574:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 280, 281,
igr2= 275, 276,
&end
#
# 18 ASN HD2+ 18 ASN HB+ 5.50 (# 1575:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 280, 281,
igr2= 275, 276,
&end
#
# 18 ASN HA 18 ASN HB+ 2.80 (# 1576:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1576, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 275, 276,
&end
#
# 18 ASN HA 18 ASN HB- 2.80 (# 1577:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1577, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 275, 276,
&end
#
# 17 GLU HA 18 ASN HB+ 5.50 (# 1580:20 Unique 4.28, 5.06 A)
&rst
ixpk= 1580, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 275, 276,
&end
#
# 17 GLU HA 18 ASN HB- 5.50 (# 1581:20 Unique 4.28, 5.06 A)
&rst
ixpk= 1581, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 275, 276,
&end
#
# 11 VAL MGX 18 ASN HB+ 3.50 (# 1582:20 Unique 2.08, 5.50 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 275, 276,
&end
#
# 11 VAL MGX 18 ASN HB- 3.50 (# 1583:20 Unique 2.08, 5.50 A)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 275, 276,
&end
#
# 18 ASN HN 17 GLU HA 2.80 (# 1584:20 Unique 2.17, 2.39 A)
&rst
ixpk= 1584, nxpk= 20, iat= 271, 258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 GLU HN 17 GLU HA 2.80 (# 1585:20 Unique 2.76, 2.87 A)
&rst
ixpk= 1585, nxpk= 20, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ASN HB+ 17 GLU HA 4.50 (# 1586:20 Unique 4.28, 5.06 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 275, 276,
&end
#
# 17 GLU HG+ 17 GLU HA 2.80 (# 1587:20 Unique 2.37, 3.25 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 263, 264,
&end
#
# 17 GLU HG- 17 GLU HA 2.80 (# 1588:20 Unique 2.37, 3.25 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 263, 264,
&end
#
# 17 GLU HB+ 17 GLU HA 3.50 (# 1589:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 260, 261,
&end
#
# 17 GLU HB- 17 GLU HA 2.80 (# 1590:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 260, 261,
&end
#
# 18 ASN HN 17 GLU HB+ 2.80 (# 1592:20 Unique 2.01, 3.17 A)
&rst
ixpk= 1592, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 18 ASN HN 17 GLU HB- 2.80 (# 1593:20 Unique 2.01, 3.17 A)
&rst
ixpk= 1593, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 17 GLU HN 17 GLU HB+ 3.50 (# 1594:20 Unique 2.19, 3.12 A)
&rst
ixpk= 1594, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 260, 261,
&end
#
# 17 GLU HN 17 GLU HB- 2.80 (# 1595:20 Unique 2.19, 3.12 A)
&rst
ixpk= 1595, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 19 PHE HE 17 GLU HB+ 3.50 (# 1596:20 Unique 2.71, 5.36 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 295, 299,
igr2= 260, 261,
&end
#
# 19 PHE HE 17 GLU HB- 3.50 (# 1597:20 Unique 2.71, 5.36 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 295, 299,
igr2= 260, 261,
&end
#
# 19 PHE HZ 17 GLU HB+ 2.80 (# 1598:20 Unique 3.15, 4.99 A)
&rst
ixpk= 1598, nxpk= 20, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 19 PHE HZ 17 GLU HB- 2.80 (# 1599:20 Unique 3.15, 4.99 A)
&rst
ixpk= 1599, nxpk= 20, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 17 GLU HA 17 GLU HB+ 2.80 (# 1600:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1600, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 17 GLU HA 17 GLU HB- 2.80 (# 1601:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1601, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 260, 261,
&end
#
# 18 ASN HN 17 GLU HG+ 4.50 (# 1602:20 Unique 3.34, 4.31 A)
&rst
ixpk= 1602, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 263, 264,
&end
#
# 18 ASN HN 17 GLU HG- 3.50 (# 1603:20 Unique 3.34, 4.31 A)
&rst
ixpk= 1603, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 263, 264,
&end
#
# 17 GLU HN 17 GLU HG+ 3.50 (# 1604:20 Unique 2.10, 3.23 A)
&rst
ixpk= 1604, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 263, 264,
&end
#
# 17 GLU HN 17 GLU HG- 3.50 (# 1605:20 Unique 2.10, 3.23 A)
&rst
ixpk= 1605, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 263, 264,
&end
#
# 17 GLU HA 17 GLU HG+ 3.50 (# 1606:20 Unique 2.37, 3.25 A)
&rst
ixpk= 1606, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 263, 264,
&end
#
# 17 GLU HA 17 GLU HG- 3.50 (# 1607:20 Unique 2.37, 3.25 A)
&rst
ixpk= 1607, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 263, 264,
&end
#
# 17 GLU HB- 17 GLU HG+ 2.80 (# 1608:20 Preassigned 2.26, 2.69 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 260, 261,
igr2= 263, 264,
&end
#
# 17 GLU HB- 17 GLU HG- 2.80 (# 1609:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 260, 261,
igr2= 263, 264,
&end
#
# 17 GLU HB+ 17 GLU HG+ 2.80 (# 1610:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 260, 261,
igr2= 263, 264,
&end
#
# 17 GLU HB+ 17 GLU HG- 2.80 (# 1611:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 260, 261,
igr2= 263, 264,
&end
#
# 16 GLY HN 16 GLY HA+ 2.80 (# 1612:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1612, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 251, 252,
&end
#
# 16 GLY HN 16 GLY HA- 2.80 (# 1613:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1613, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 251, 252,
&end
#
# 17 GLU HN 16 GLY HA+ 5.50 (# 1614:20 Unique 2.38, 3.10 A)
&rst
ixpk= 1614, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 251, 252,
&end
#
# 17 GLU HN 16 GLY HA- 3.50 (# 1615:20 Unique 2.38, 3.10 A)
&rst
ixpk= 1615, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 251, 252,
&end
#
# 18 ASN HD2+ 16 GLY HA- 5.50 (# 1616:20 Unique 4.73, 8.57 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 280, 281,
igr2= 251, 252,
&end
#
# 15 ASP HN 15 ASP HA 2.80 (# 1617:20 Unique 2.27, 2.84 A)
&rst
ixpk= 1617, nxpk= 20, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 GLY HN 15 ASP HA 4.50 (# 1618:20 Unique 2.15, 2.90 A)
&rst
ixpk= 1618, nxpk= 20, iat= 249, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1620 15 ASP HA 2.80 (# 1620:20 Single Ambig)
&rst
ixpk= 1620, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 241, 242, 241, 242,
&end
#
# 0 AMB 20-2:1621 0 AMB 20-1:1621 4.50 (# 1621:20 Double Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 213, 878,
igr2= 241, 242, 241, 242, 241, 242,
&end
#
# 15 ASP HA 0 AMB 20-1:1623 2.80 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 241, 242, 241, 242,
&end
#
# 14 MET HN 14 MET HB+ 3.50 (# 1624:20 Unique 2.21, 3.13 A)
&rst
ixpk= 1624, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 224, 225,
&end
#
# 14 MET HN 14 MET HB- 5.50 (# 1625:20 Unique 2.21, 3.13 A)
&rst
ixpk= 1625, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 19 PHE HE 14 MET HB+ 4.50 (# 1626:20 Unique 2.01, 5.47 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 299,
igr2= 224, 225,
&end
#
# 19 PHE HE 14 MET HB- 4.50 (# 1627:20 Unique 2.01, 5.47 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 299,
igr2= 224, 225,
&end
#
# 14 MET HA 14 MET HB+ 2.80 (# 1628:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1628, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 224, 225,
&end
#
# 14 MET HA 14 MET HB- 2.80 (# 1629:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1629, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 224, 225,
&end
#
# 0 AMB 20-2:1630 0 AMB 20-1:1630 5.50 (# 1630:20 Double Ambig)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 241, 242, 241, 242,
igr2= 224, 225, 224, 225,
&end
#
# 0 AMB 20-2:1631 14 MET HB- 5.50 (# 1631:20 Single Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 241, 242, 241, 242,
igr2= 224, 225,
&end
#
# 14 MET ME 14 MET HB+ 3.50 (# 1632:20 Unique 2.26, 4.08 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 231, 232, 233,
igr2= 224, 225,
&end
#
# 14 MET ME 14 MET HB- 3.50 (# 1633:20 Unique 2.26, 4.08 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 231, 232, 233,
igr2= 224, 225,
&end
#
# 0 AMB 20-2:1634 0 AMB 20-1:1634 4.50 (# 1634:20 Double Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2= 224, 225, 224, 225,
&end
#
# 0 AMB 20-2:1635 14 MET HB- 4.50 (# 1635:20 Single Ambig)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2= 224, 225,
&end
#
# 14 MET HN 14 MET HG+ 5.50 (# 1636:20 Unique 2.22, 3.30 A)
&rst
ixpk= 1636, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 227, 228,
&end
#
# 14 MET HN 14 MET HG- 4.50 (# 1637:20 Unique 2.22, 3.30 A)
&rst
ixpk= 1637, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 227, 228,
&end
#
# 0 AMB 20-2:1638 0 AMB 20-1:1638 5.50 (# 1638:20 Double Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 295, 299, 878,
igr2= 227, 228, 227, 228,
&end
#
# 0 AMB 20-2:1639 14 MET HG- 5.50 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 295, 299, 878,
igr2= 227, 228,
&end
#
# 14 MET HA 14 MET HG+ 5.50 (# 1640:20 Unique 2.18, 2.96 A)
&rst
ixpk= 1640, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 227, 228,
&end
#
# 14 MET HA 14 MET HG- 4.50 (# 1641:20 Unique 2.18, 2.96 A)
&rst
ixpk= 1641, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 227, 228,
&end
#
# 14 MET ME 14 MET HG+ 2.80 (# 1642:20 Unique 2.03, 3.50 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 231, 232, 233,
igr2= 227, 228,
&end
#
# 14 MET ME 14 MET HG- 2.80 (# 1643:20 Unique 2.03, 3.50 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 231, 232, 233,
igr2= 227, 228,
&end
#
# 14 MET HB+ 14 MET HG+ 2.80 (# 1644:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 224, 225,
igr2= 227, 228,
&end
#
# 14 MET HB+ 14 MET HG- 2.80 (# 1645:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 224, 225,
igr2= 227, 228,
&end
#
# 14 MET HN 14 MET ME 5.50 (# 1646:20 Unique 3.61, 5.66 A)
&rst
ixpk= 1646, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:1647 14 MET ME 3.50 (# 1647:20 Single Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 878, 295, 299,
igr2= 231, 232, 233,
&end
#
# 19 PHE HD 14 MET ME 3.50 (# 1648:20 Unique 2.48, 6.41 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 293, 301,
igr2= 231, 232, 233,
&end
#
# 14 MET HA 14 MET ME 5.50 (# 1650:20 Unique 2.02, 5.22 A)
&rst
ixpk= 1650, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 231, 232, 233,
&end
#
# 57 HIS HB+ 14 MET ME 4.50 (# 1651:20 Unique 2.16, 5.14 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 869, 870,
igr2= 231, 232, 233,
&end
#
# 14 MET HG+ 14 MET ME 2.80 (# 1652:20 Unique 2.03, 3.50 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 227, 228,
igr2= 231, 232, 233,
&end
#
# 14 MET HG- 14 MET ME 2.80 (# 1653:20 Unique 2.03, 3.50 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 227, 228,
igr2= 231, 232, 233,
&end
#
# 14 MET HB+ 14 MET ME 3.50 (# 1654:20 Unique 2.26, 4.08 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 224, 225,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:1655 14 MET ME 3.50 (# 1655:20 Single Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 224, 225, 188, 189,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:1656 14 MET ME 2.80 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2= 231, 232, 233,
&end
#
# 54 ILE QD1 14 MET ME 5.50 (# 1657:20 Unique 2.11, 4.93 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 838, 839, 840,
igr2= 231, 232, 233,
&end
#
# 54 ILE QG2 14 MET ME 4.50 (# 1658:20 Unique 2.00, 4.00 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 831, 832, 833,
igr2= 231, 232, 233,
&end
#
# 19 PHE HN 13 HIS HA 3.50 (# 1659:20 Unique 2.87, 3.57 A)
&rst
ixpk= 1659, nxpk= 20, iat= 285, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 HIS HN 13 HIS HA 2.80 (# 1660:20 Unique 2.89, 2.93 A)
&rst
ixpk= 1660, nxpk= 20, iat= 203, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 MET HN 13 HIS HA 2.80 (# 1661:20 Unique 2.14, 2.16 A)
&rst
ixpk= 1661, nxpk= 20, iat= 220, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ASN HA 13 HIS HA 2.80 (# 1662:20 Unique 2.05, 2.68 A)
&rst
ixpk= 1662, nxpk= 20, iat= 273, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 HIS HB+ 13 HIS HA 2.80 (# 1663:20 Unique 2.36, 2.54 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 207, 208,
&end
#
# 13 HIS HB- 13 HIS HA 2.80 (# 1665:20 Unique 2.36, 2.54 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 207, 208,
&end
#
# 14 MET HN 13 HIS HB+ 4.50 (# 1666:20 Unique 3.13, 4.00 A)
&rst
ixpk= 1666, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 207, 208,
&end
#
# 14 MET HN 13 HIS HB- 4.50 (# 1667:20 Unique 3.13, 4.00 A)
&rst
ixpk= 1667, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:1668 13 HIS HB- 3.50 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 280, 281, 216,
igr2= 207, 208,
&end
#
# 13 HIS HA 13 HIS HB+ 2.80 (# 1669:20 Unique 2.36, 2.54 A)
&rst
ixpk= 1669, nxpk= 20, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 207, 208,
&end
#
# 13 HIS HA 13 HIS HB- 2.80 (# 1670:20 Unique 2.36, 2.54 A)
&rst
ixpk= 1670, nxpk= 20, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 207, 208,
&end
#
# 12 LEU HN 12 LEU HB+ 5.50 (# 1671:20 Unique 2.57, 2.99 A)
&rst
ixpk= 1671, nxpk= 20, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 188, 189,
&end
#
# 12 LEU HN 12 LEU HB- 3.50 (# 1672:20 Unique 2.57, 2.99 A)
&rst
ixpk= 1672, nxpk= 20, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 188, 189,
&end
#
# 19 PHE HB- 12 LEU HB+ 4.50 (# 1675:20 Unique 2.45, 4.99 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 289, 290,
igr2= 188, 189,
&end
#
# 19 PHE HB- 12 LEU HB- 3.50 (# 1676:20 Unique 2.45, 4.99 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 289, 290,
igr2= 188, 189,
&end
#
# 0 AMB 20-2:1677 0 AMB 20-1:1677 2.80 (# 1677:20 Double Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344,
igr2= 188, 189, 188, 189, 188, 189,
&end
#
# 0 AMB 20-2:1678 12 LEU HB- 2.80 (# 1678:20 Single Ambig)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344,
igr2= 188, 189,
&end
#
# 12 LEU HN 12 LEU MDX 5.50 (# 1679:20 Unique 4.34, 5.49 A)
&rst
ixpk= 1679, nxpk= 20, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 3 ARG HA 3 ARG HG- 2.80 (# 1681:20 Unique 2.30, 3.27 A)
&rst
ixpk= 1681, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 38, 39,
&end
#
# 12 LEU HN 12 LEU MDY 3.50 (# 1683:20 Unique 4.34, 5.49 A)
&rst
ixpk= 1683, nxpk= 20, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 0 AMB 20-2:1685 12 LEU MDY 4.50 (# 1685:20 Single Ambig)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 289, 290,1239,1240,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 12 LEU HB+ 12 LEU MDY 2.80 (# 1686:20 Unique 2.01, 3.27 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 188, 189,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 0 AMB 20-2:1687 12 LEU MDY 2.80 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 188, 189,1223,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 14 MET ME 12 LEU MDY 2.80 (# 1689:20 Unique 2.00, 5.59 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 231, 232, 233,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 77 LEU MDY 12 LEU MDY 2.80 (# 1690:20 Unique 3.57, 7.80 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 21 ILE HN 11 VAL HA 4.50 (# 1692:20 Unique 3.26, 3.72 A)
&rst
ixpk= 1692, nxpk= 20, iat= 329, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LEU HN 11 VAL HA 2.80 (# 1694:20 Unique 2.17, 2.19 A)
&rst
ixpk= 1694, nxpk= 20, iat= 184, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 VAL HN 11 VAL HA 2.80 (# 1695:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1695, nxpk= 20, iat= 168, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 VAL HB 11 VAL HA 2.80 (# 1696:20 Unique 2.43, 2.48 A)
&rst
ixpk= 1696, nxpk= 20, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 VAL MGY 11 VAL HA 2.80 (# 1697:20 Unique 2.25, 3.46 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:1698 11 VAL HA 2.80 (# 1698:20 Single Ambig)
&rst
ixpk= 1698, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 174, 175, 176, 178, 179, 180, 342, 343, 344,1361,
1362,1363,
&end
#
# 11 VAL HN 11 VAL HB 3.50 (# 1699:20 Unique 2.64, 2.92 A)
&rst
ixpk= 1699, nxpk= 20, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 VAL HA 11 VAL HB 2.80 (# 1700:20 Unique 2.43, 2.48 A)
&rst
ixpk= 1700, nxpk= 20, iat= 170, 172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 TRP HA 11 VAL HB 4.50 (# 1701:20 Unique 4.33, 4.41 A)
&rst
ixpk= 1701, nxpk= 20, iat= 146, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 VAL MGY 11 VAL HB 2.80 (# 1702:20 Preassigned 2.22, 2.63 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 VAL MGX 11 VAL HB 2.80 (# 1703:20 Preassigned 2.22, 2.63 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 VAL HN 11 VAL MGX 2.80 (# 1704:20 Unique 1.96, 3.82 A)
&rst
ixpk= 1704, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 7 THR HB 22 VAL MGX 2.80 (# 1705:20 Unique 2.01, 3.85 A)
&rst
ixpk= 1705, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 2.80 (# 1706:20 Double Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 352, 172,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 11 VAL HN 11 VAL MGY 2.80 (# 1707:20 Unique 1.96, 3.82 A)
&rst
ixpk= 1707, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:1708 0 AMB 20-1:1708 2.80 (# 1708:20 Double Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 350,
igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
359, 360,
&end
#
# 18 ASN HA 11 VAL MGY 3.50 (# 1709:20 Preassigned 3.67, 6.28 A)
&rst
ixpk= 1709, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:1710 0 AMB 20-1:1710 2.80 (# 1710:20 Double Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 352, 172,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 11 VAL HN 0 AMB 20-1:1711 2.80 (# 1711:20 Single Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 11 VAL HN 0 AMB 20-1:1712 2.80 (# 1712:20 Single Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HN 0 AMB 20-1:1713 3.50 (# 1713:20 Single Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HN 0 AMB 20-1:1714 3.50 (# 1714:20 Single Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HE3 0 AMB 20-1:1715 2.80 (# 1715:20 Single Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HE3 0 AMB 20-1:1716 2.80 (# 1716:20 Single Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HD1 0 AMB 20-1:1717 2.80 (# 1717:20 Single Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HD1 0 AMB 20-1:1718 2.80 (# 1718:20 Single Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HA 0 AMB 20-1:1720 2.80 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 21 ILE HB 0 AMB 20-1:1722 2.80 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 148, 149, 148, 149,
&end
#
# 84 ILE QG2 0 AMB 20-1:1724 2.80 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1306,1307,1308,
igr2= 148, 149, 148, 149,
&end
#
# 12 LEU MDY 10 TRP HB- 3.50 (# 1726:20 Preassigned 4.63, 7.79 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 193, 194, 195, 197, 198, 199,
igr2= 148, 149,
&end
#
# 77 LEU MDY 0 AMB 20-1:1727 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=1190,1191,1192,1194,1195,1196,
igr2= 148, 149, 148, 149,
&end
#
# 77 LEU MDY 0 AMB 20-1:1728 2.80 (# 1728:20 Single Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 148, 149, 148, 149,
&end
#
# 10 TRP HN 9 THR HA 2.80 (# 1729:20 Unique 2.14, 2.21 A)
&rst
ixpk= 1729, nxpk= 20, iat= 144, 132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 LEU HN 9 THR HA 3.50 (# 1730:20 Unique 3.62, 3.84 A)
&rst
ixpk= 1730, nxpk= 20, iat= 364, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 THR HN 9 THR HA 3.50 (# 1731:20 Unique 2.92, 2.92 A)
&rst
ixpk= 1731, nxpk= 20, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 TRP HE3 9 THR HA 3.50 (# 1732:20 Unique 4.39, 6.17 A)
&rst
ixpk= 1732, nxpk= 20, iat= 163, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 VAL HA 9 THR HA 2.80 (# 1733:20 Unique 2.43, 2.60 A)
&rst
ixpk= 1733, nxpk= 20, iat= 350, 132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 THR HB 9 THR HA 3.50 (# 1734:20 Unique 2.96, 2.98 A)
&rst
ixpk= 1734, nxpk= 20, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 THR MG2 9 THR HA 2.80 (# 1735:20 Unique 2.05, 2.88 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 136, 137, 138,
&end
#
# 0 AMB 20-2:1736 9 THR HA 2.80 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 354, 355, 356, 358, 359, 360,1361,1362,1363,
&end
#
# 10 TRP HN 9 THR HB 5.50 (# 1737:20 Unique 3.30, 3.70 A)
&rst
ixpk= 1737, nxpk= 20, iat= 144, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR HN 9 THR HB 2.80 (# 1738:20 Unique 2.81, 2.90 A)
&rst
ixpk= 1738, nxpk= 20, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 THR HA 9 THR HB 3.50 (# 1739:20 Unique 2.96, 2.98 A)
&rst
ixpk= 1739, nxpk= 20, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1740 9 THR HB 5.50 (# 1740:20 Single Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 350, 170,
&end
#
# 87 ILE HB 9 THR HB 4.50 (# 1742:20 Unique 4.45, 4.59 A)
&rst
ixpk= 1742, nxpk= 20, iat=1352, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ILE HG1- 9 THR HB 3.50 (# 1743:20 Preassigned 2.68, 4.40 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1358,1359,
&end
#
# 87 ILE HG1+ 9 THR HB 3.50 (# 1744:20 Unique 2.68, 4.40 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1358,1359,
&end
#
# 9 THR MG2 9 THR HB 2.80 (# 1745:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 136, 137, 138,
&end
#
# 87 ILE QD1 9 THR HB 3.50 (# 1746:20 Unique 2.00, 3.98 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1361,1362,1363,
&end
#
# 10 TRP HN 9 THR MG2 3.50 (# 1747:20 Unique 2.05, 3.40 A)
&rst
ixpk= 1747, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 136, 137, 138,
&end
#
# 11 VAL HN 9 THR MG2 4.50 (# 1748:20 Unique 4.69, 6.38 A)
&rst
ixpk= 1748, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 136, 137, 138,
&end
#
# 9 THR HN 9 THR MG2 4.50 (# 1749:20 Unique 4.31, 4.58 A)
&rst
ixpk= 1749, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 136, 137, 138,
&end
#
# 9 THR HA 9 THR MG2 2.80 (# 1750:20 Unique 2.05, 2.88 A)
&rst
ixpk= 1750, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:1751 9 THR MG2 3.50 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 350, 307,
igr2= 136, 137, 138,
&end
#
# 10 TRP HA 9 THR MG2 4.50 (# 1752:20 Unique 4.05, 5.20 A)
&rst
ixpk= 1752, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 136, 137, 138,
&end
#
# 9 THR HB 9 THR MG2 2.80 (# 1754:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1754, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:1755 9 THR MG2 2.80 (# 1755:20 Single Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 315, 316, 315, 316,
igr2= 136, 137, 138,
&end
#
# 9 THR HN 8 ASN HA 2.80 (# 1756:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1756, nxpk= 20, iat= 130, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 GLU HA 8 ASN HA 5.50 (# 1757:20 Unique 4.93, 5.52 A)
&rst
ixpk= 1757, nxpk= 20, iat=1335, 118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HN 8 ASN HB+ 5.50 (# 1758:20 Unique 2.65, 3.80 A)
&rst
ixpk= 1758, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 120, 121,
&end
#
# 8 ASN HN 8 ASN HB+ 3.50 (# 1759:20 Unique 2.19, 2.89 A)
&rst
ixpk= 1759, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 120, 121,
&end
#
# 8 ASN HN 8 ASN HB- 4.50 (# 1760:20 Unique 2.19, 2.89 A)
&rst
ixpk= 1760, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 120, 121,
&end
#
# 9 THR HN 8 ASN HB+ 5.50 (# 1761:20 Unique 2.86, 4.11 A)
&rst
ixpk= 1761, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 120, 121,
&end
#
# 9 THR HN 8 ASN HB- 3.50 (# 1762:20 Unique 2.86, 4.11 A)
&rst
ixpk= 1762, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 120, 121,
&end
#
# 8 ASN HD2+ 8 ASN HB- 5.50 (# 1763:20 Unique 2.11, 3.23 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 125, 126,
igr2= 120, 121,
&end
#
# 8 ASN HD2- 8 ASN HB- 5.50 (# 1764:20 Unique 2.11, 3.23 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 125, 126,
igr2= 120, 121,
&end
#
# 10 TRP HZ3 8 ASN HB- 3.50 (# 1765:20 Unique 2.86, 8.64 A)
&rst
ixpk= 1765, nxpk= 20, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 120, 121,
&end
#
# 10 TRP HZ3 8 ASN HB+ 4.50 (# 1766:20 Unique 2.86, 8.64 A)
&rst
ixpk= 1766, nxpk= 20, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 120, 121,
&end
#
# 8 ASN HA 8 ASN HB+ 3.50 (# 1767:20 Unique 2.34, 2.78 A)
&rst
ixpk= 1767, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 120, 121,
&end
#
# 8 ASN HA 8 ASN HB- 2.80 (# 1768:20 Unique 2.34, 2.78 A)
&rst
ixpk= 1768, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:1769 0 AMB 20-1:1769 5.50 (# 1769:20 Double Ambig)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 371, 405, 406,
igr2= 120, 121, 120, 121,
&end
#
# 23 LEU MDY 8 ASN HB+ 4.50 (# 1770:20 Unique 2.66, 5.76 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 120, 121,
&end
#
# 23 LEU MDY 8 ASN HB- 5.50 (# 1771:20 Unique 2.66, 5.76 A)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 120, 121,
&end
#
# 23 LEU HN 7 THR HA 5.50 (# 1772:20 Unique 4.15, 5.14 A)
&rst
ixpk= 1772, nxpk= 20, iat= 364, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HN 7 THR HA 2.80 (# 1773:20 Unique 2.15, 2.24 A)
&rst
ixpk= 1773, nxpk= 20, iat= 116, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1774 7 THR HA 3.50 (# 1774:20 Single Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 88,
&end
#
# 7 THR HN 7 THR HA 3.50 (# 1775:20 Unique 2.76, 2.86 A)
&rst
ixpk= 1775, nxpk= 20, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 THR HB 7 THR HA 2.80 (# 1777:20 Unique 2.66, 2.71 A)
&rst
ixpk= 1777, nxpk= 20, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 THR MG2 7 THR HA 4.50 (# 1778:20 Unique 3.48, 5.32 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 94, 95, 96,
&end
#
# 7 THR MG2 7 THR HA 2.80 (# 1779:20 Unique 2.00, 2.84 A)
&rst
ixpk= 1779, nxpk= 20, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 108, 109, 110,
&end
#
# 8 ASN HN 7 THR HB 3.50 (# 1780:20 Unique 2.18, 3.04 A)
&rst
ixpk= 1780, nxpk= 20, iat= 116, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 THR HN 7 THR HB 5.50 (# 1781:20 Unique 3.10, 3.60 A)
&rst
ixpk= 1781, nxpk= 20, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 THR HA 7 THR HB 2.80 (# 1782:20 Unique 2.66, 2.71 A)
&rst
ixpk= 1782, nxpk= 20, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 THR MG2 7 THR HB 2.80 (# 1784:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 108, 109, 110,
&end
#
# 22 VAL MGX 7 THR HB 2.80 (# 1785:20 Unique 2.01, 3.85 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 8 ASN HN 7 THR MG2 3.50 (# 1786:20 Unique 2.51, 4.15 A)
&rst
ixpk= 1786, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1787 7 THR MG2 2.80 (# 1787:20 Single Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 398, 88,
igr2= 108, 109, 110,
&end
#
# 7 THR HN 7 THR MG2 3.50 (# 1788:20 Unique 2.81, 4.17 A)
&rst
ixpk= 1788, nxpk= 20, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 108, 109, 110,
&end
#
# 7 THR HA 7 THR MG2 2.80 (# 1789:20 Unique 2.00, 2.84 A)
&rst
ixpk= 1789, nxpk= 20, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 7 THR HB 7 THR MG2 2.80 (# 1791:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1791, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1792 7 THR MG2 4.50 (# 1792:20 Single Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 79, 80, 79, 80,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1793 7 THR MG2 2.80 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 390, 391, 387, 388,
igr2= 108, 109, 110,
&end
#
# 24 GLU HG+ 7 THR MG2 3.50 (# 1794:20 Unique 2.00, 3.28 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 390, 391,
igr2= 108, 109, 110,
&end
#
# 7 THR HN 6 THR HA 3.50 (# 1795:20 Unique 2.16, 3.06 A)
&rst
ixpk= 1795, nxpk= 20, iat= 102, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1797 6 THR HA 3.50 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 408, 409, 38, 39,
&end
#
# 6 THR MG2 6 THR HA 2.80 (# 1798:20 Unique 2.00, 2.92 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 94, 95, 96,
&end
#
# 7 THR HN 6 THR HB 4.50 (# 1799:20 Unique 2.00, 3.42 A)
&rst
ixpk= 1799, nxpk= 20, iat= 102, 92, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1801 6 THR HB 5.50 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 59, 60, 59, 60,
&end
#
# 6 THR MG2 6 THR HB 2.80 (# 1802:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1802, nxpk= 20, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 94, 95, 96,
&end
#
# 0 AMB 20-2:1803 6 THR MG2 5.50 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 88, 66,
igr2= 94, 95, 96,
&end
#
# 0 AMB 20-2:1805 6 THR MG2 2.80 (# 1805:20 Single Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 90, 92,
igr2= 94, 95, 96,
&end
#
# 5 LYS HB+ 5 LYS HA 2.80 (# 1806:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 70, 71,
&end
#
# 5 LYS HG+ 5 LYS HA 3.50 (# 1807:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 73, 74,
&end
#
# 5 LYS HG- 5 LYS HA 4.50 (# 1808:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 73, 74,
&end
#
# 43 PHE HN 42 GLU HB- 3.50 (# 1809:20 Unique 1.94, 3.43 A)
&rst
ixpk= 1809, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 656, 657,
&end
#
# 5 LYS HA 5 LYS HB+ 2.80 (# 1810:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1810, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 70, 71,
&end
#
# 5 LYS HA 5 LYS HB- 2.80 (# 1811:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1811, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 70, 71,
&end
#
# 5 LYS HG- 5 LYS HB+ 2.80 (# 1812:20 Unique 2.25, 2.67 A)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 73, 74,
igr2= 70, 71,
&end
#
# 5 LYS HG+ 5 LYS HB+ 2.80 (# 1813:20 Unique 2.25, 2.67 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 73, 74,
igr2= 70, 71,
&end
#
# 5 LYS HG- 5 LYS HB- 2.80 (# 1814:20 Unique 2.25, 2.67 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 73, 74,
igr2= 70, 71,
&end
#
# 0 AMB 20-2:1815 0 AMB 20-1:1815 2.80 (# 1815:20 Double Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 752, 753, 73, 74,
igr2= 656, 657, 70, 71,
&end
#
# 5 LYS HA 0 AMB 20-1:1816 4.50 (# 1816:20 Single Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 20-2:1817 0 AMB 20-1:1817 2.80 (# 1817:20 Double Ambig)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1075,1076,1075,1076,1075,1076,
igr2=1081,1082,1081,1082,1081,1082,
&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= 6.41, r4= 6.91,
igr1= 76, 77, 76, 77, 76, 77,1078,1079,1078,1079,
1078,1079,
igr2= 79, 80, 79, 80, 79, 80,1081,1082,1081,1082,
1081,1082,
&end
#
# 0 AMB 20-2:1819 4 SER HA 2.80 (# 1819:20 Single Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 59, 60, 59, 60,
&end
#
# 0 AMB 20-2:1821 0 AMB 20-1:1821 2.80 (# 1821:20 Double Ambig)
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 57, 33,
igr2= 59, 60, 59, 60,
&end
#
# 3 ARG HD+ 3 ARG HA 2.80 (# 1823:20 Unique 2.15, 2.99 A)
&rst
ixpk= 1823, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 41, 42,
&end
#
# 3 ARG HD- 3 ARG HA 2.80 (# 1824:20 Unique 2.15, 2.99 A)
&rst
ixpk= 1824, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 41, 42,
&end
#
# 2 ASP HB- 3 ARG HA 4.50 (# 1825:20 Unique 4.32, 5.16 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 23, 24,
&end
#
# 3 ARG HB+ 3 ARG HA 2.80 (# 1826:20 Unique 2.27, 2.76 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 35, 36,
&end
#
# 3 ARG HB- 3 ARG HA 2.80 (# 1827:20 Unique 2.27, 2.76 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 35, 36,
&end
#
# 0 AMB 20-2:1828 3 ARG HA 2.80 (# 1828:20 Single Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 38, 39, 76, 77,
&end
#
# 3 ARG HG- 3 ARG HA 2.80 (# 1829:20 Unique 2.30, 3.27 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 38, 39,
&end
#
# 0 AMB 20-2:1830 0 AMB 20-1:1830 2.80 (# 1830:20 Double Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 33,1046,
igr2= 35, 36,1048,1049,
&end
#
# 0 AMB 20-2:1831 0 AMB 20-1:1831 2.80 (# 1831:20 Double Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 33,1046,
igr2= 35, 36,1048,1049,
&end
#
# 0 AMB 20-2:1832 0 AMB 20-1:1832 2.80 (# 1832:20 Double Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 41, 42,1054,1055,1054,1055,
igr2= 35, 36,1048,1049,1048,1049, 8, 9,
&end
#
# 0 AMB 20-2:1833 0 AMB 20-1:1833 2.80 (# 1833:20 Double Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 41, 42,1054,1055,1054,1055,
igr2= 35, 36,1048,1049,
&end
#
# 3 ARG HD+ 3 ARG HB- 2.80 (# 1834:20 Unique 2.06, 3.25 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 41, 42,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:1835 0 AMB 20-1:1835 3.50 (# 1835:20 Double Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 41, 42, 41, 42,
igr2= 35, 36, 8, 9,
&end
#
# 0 AMB 20-2:1836 0 AMB 20-1:1836 2.80 (# 1836:20 Double Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 38, 39,1051,1052,1051,1052,
igr2= 35, 36,1048,1049,1048,1049, 8, 9,
&end
#
# 0 AMB 20-2:1837 0 AMB 20-1:1837 2.80 (# 1837:20 Double Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 38, 39,1051,1052,1051,1052,
igr2= 35, 36,1048,1049,
&end
#
# 0 AMB 20-2:1838 0 AMB 20-1:1838 2.80 (# 1838:20 Double Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1271,1272,1271,1272, 41, 42,
igr2=1268,1269,1268,1269, 38, 39,
&end
#
# 0 AMB 20-2:1839 0 AMB 20-1:1839 2.80 (# 1839:20 Double Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1271,1272,1271,1272, 41, 42,
igr2=1268,1269, 38, 39,
&end
#
# 2 ASP HB+ 2 ASP HA 2.80 (# 1840:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 23, 24,
&end
#
# 2 ASP HB- 2 ASP HA 2.80 (# 1841:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1841, nxpk= 20, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 23, 24,
&end
#
# 2 ASP HN 2 ASP HB+ 5.50 (# 1842:20 Unique 2.25, 3.17 A)
&rst
ixpk= 1842, nxpk= 20, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 23, 24,
&end
#
# 2 ASP HN 2 ASP HB- 5.50 (# 1843:20 Unique 2.25, 3.17 A)
&rst
ixpk= 1843, nxpk= 20, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 23, 24,
&end
#
# 2 ASP HA 2 ASP HB+ 2.80 (# 1844:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1844, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 23, 24,
&end
#
# 2 ASP HA 2 ASP HB- 2.80 (# 1845:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1845, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 23, 24,
&end
#
# 1 GLU HA 0 AMB 20-1:1846 2.80 (# 1846:20 Single Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 11, 12, 11, 12,
&end
#
# 63 ALA HA 64 VAL MGX 3.50 (# 1867:20 Unique 3.75, 5.74 A)
&rst
ixpk= 1867, nxpk= 20, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 17 GLU HN 13 HIS HA 5.50 (# 1870:20 Unique 4.25, 5.75 A)
&rst
ixpk= 1870, nxpk= 20, iat= 256, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ILE HN 21 ILE HA 2.80 (# 1876:20 Unique 2.94, 2.94 A)
&rst
ixpk= 1876, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 VAL HN 21 ILE HA 2.80 (# 1877:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1877, nxpk= 20, iat= 348, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 ILE HB 21 ILE HA 3.50 (# 1878:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1878, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ILE HG1- 21 ILE HA 2.80 (# 1879:20 Unique 2.26, 3.24 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 339, 340,
&end
#
# 21 ILE HG1+ 21 ILE HA 3.50 (# 1880:20 Unique 2.26, 3.24 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 339, 340,
&end
#
# 21 ILE QD1 21 ILE HA 2.80 (# 1881:20 Unique 2.00, 3.19 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 342, 343, 344,
&end
#
# 0 AMB 20-2:1882 21 ILE HA 2.80 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 336, 337, 354, 355, 356, 358, 359, 360,
&end
#
# 52 PHE HB- 39 THR HA 3.50 (# 1883:20 Unique 2.21, 3.75 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 798, 799,
&end
#
# 21 ILE HN 21 ILE HB 2.80 (# 1884:20 Unique 2.45, 2.64 A)
&rst
ixpk= 1884, nxpk= 20, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 TRP HE3 21 ILE HB 2.80 (# 1885:20 Unique 2.00, 4.86 A)
&rst
ixpk= 1885, nxpk= 20, iat= 163, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 PHE HE 21 ILE HB 5.50 (# 1886:20 Unique 5.33, 8.96 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 804, 808,
&end
#
# 21 ILE HA 21 ILE HB 3.50 (# 1887:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1887, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1888 21 ILE HB 2.80 (# 1888:20 Single Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 148, 149, 148, 149,
&end
#
# 21 ILE HG1- 21 ILE HB 2.80 (# 1889:20 Unique 2.43, 2.57 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 339, 340,
&end
#
# 21 ILE HG1+ 21 ILE HB 3.50 (# 1890:20 Unique 2.43, 2.57 A)
&rst
ixpk= 1890, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 339, 340,
&end
#
# 21 ILE QD1 21 ILE HB 3.50 (# 1891:20 Unique 2.27, 3.61 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 342, 343, 344,
&end
#
# 21 ILE QG2 21 ILE HB 2.80 (# 1892:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 335, 336, 337,
&end
#
# 77 LEU MDY 21 ILE HB 4.50 (# 1893:20 Unique 3.85, 5.85 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 21 ILE HN 21 ILE HG1- 4.50 (# 1894:20 Unique 2.49, 3.75 A)
&rst
ixpk= 1894, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 339, 340,
&end
#
# 21 ILE HN 21 ILE HG1+ 3.50 (# 1895:20 Unique 2.49, 3.75 A)
&rst
ixpk= 1895, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 21 ILE HA 21 ILE HG1- 3.50 (# 1896:20 Unique 2.26, 3.24 A)
&rst
ixpk= 1896, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 21 ILE HA 21 ILE HG1+ 3.50 (# 1897:20 Unique 2.26, 3.24 A)
&rst
ixpk= 1897, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:1898 21 ILE HG1- 5.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 515, 516, 148, 149, 148, 149,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 4.50 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 515, 516, 148, 149, 148, 149,
igr2= 339, 340, 339, 340, 339, 340,
&end
#
# 21 ILE HB 21 ILE HG1- 2.80 (# 1900:20 Unique 2.43, 2.57 A)
&rst
ixpk= 1900, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 339, 340,
&end
#
# 21 ILE HB 21 ILE HG1+ 3.50 (# 1901:20 Unique 2.43, 2.57 A)
&rst
ixpk= 1901, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:1902 21 ILE HG1- 2.80 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 335, 336, 337, 342, 343, 344,
igr2= 339, 340,
&end
#
# 21 ILE QD1 21 ILE HG1+ 2.80 (# 1903:20 Preassigned 2.20, 2.62 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 342, 343, 344,
igr2= 339, 340,
&end
#
# 21 ILE HN 21 ILE QD1 4.50 (# 1904:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1904, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 342, 343, 344,
&end
#
# 22 VAL HN 21 ILE QD1 4.50 (# 1905:20 Preassigned 3.51, 5.06 A)
&rst
ixpk= 1905, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 342, 343, 344,
&end
#
# 19 PHE HD 21 ILE QD1 4.50 (# 1906:20 Unique 3.41, 6.21 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 293, 301,
igr2= 342, 343, 344,
&end
#
# 52 PHE HE 21 ILE QD1 5.50 (# 1907:20 Unique 3.81, 8.73 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 808,
igr2= 342, 343, 344,
&end
#
# 52 PHE HZ 21 ILE QD1 5.50 (# 1908:20 Unique 6.02, 8.59 A)
&rst
ixpk= 1908, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 21 ILE HA 21 ILE QD1 2.80 (# 1909:20 Unique 2.00, 3.19 A)
&rst
ixpk= 1909, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 342, 343, 344,
&end
#
# 32 CYS HA 21 ILE QD1 3.50 (# 1910:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1910, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 342, 343, 344,
&end
#
# 32 CYS HB- 21 ILE QD1 3.50 (# 1911:20 Unique 2.57, 4.33 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 515, 516,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:1912 21 ILE QD1 2.80 (# 1912:20 Single Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 515, 516, 148, 149, 148, 149,
igr2= 342, 343, 344,
&end
#
# 33 ASN HB- 21 ILE QD1 5.50 (# 1913:20 Unique 4.09, 6.34 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 526, 527,
igr2= 342, 343, 344,
&end
#
# 21 ILE HB 21 ILE QD1 3.50 (# 1914:20 Unique 2.27, 3.61 A)
&rst
ixpk= 1914, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 342, 343, 344,
&end
#
# 21 ILE HG1- 21 ILE QD1 2.80 (# 1915:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 339, 340,
igr2= 342, 343, 344,
&end
#
# 21 ILE HG1+ 21 ILE QD1 2.80 (# 1916:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 339, 340,
igr2= 342, 343, 344,
&end
#
# 54 ILE QG2 21 ILE QD1 4.50 (# 1917:20 Unique 2.32, 6.21 A)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 831, 832, 833,
igr2= 342, 343, 344,
&end
#
# 21 ILE HN 21 ILE QG2 4.50 (# 1918:20 Unique 4.14, 4.63 A)
&rst
ixpk= 1918, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 335, 336, 337,
&end
#
# 22 VAL HN 21 ILE QG2 2.80 (# 1919:20 Unique 1.99, 3.42 A)
&rst
ixpk= 1919, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 335, 336, 337,
&end
#
# 10 TRP HE3 21 ILE QG2 2.80 (# 1920:20 Unique 2.21, 6.10 A)
&rst
ixpk= 1920, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 335, 336, 337,
&end
#
# 52 PHE HZ 21 ILE QG2 5.50 (# 1921:20 Unique 4.27, 6.67 A)
&rst
ixpk= 1921, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:1922 21 ILE QG2 2.80 (# 1922:20 Single Ambig)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 804, 808, 161,
igr2= 335, 336, 337,
&end
#
# 21 ILE HA 21 ILE QG2 2.80 (# 1923:20 Unique 2.25, 3.15 A)
&rst
ixpk= 1923, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:1925 21 ILE QG2 2.80 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 148, 149, 148, 149, 515, 516,
igr2= 335, 336, 337,
&end
#
# 21 ILE HB 21 ILE QG2 2.80 (# 1926:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1926, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:1927 21 ILE QG2 2.80 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 339, 340, 368, 369,
igr2= 335, 336, 337,
&end
#
# 77 LEU MDY 21 ILE QG2 2.80 (# 1928:20 Unique 2.56, 5.25 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1190,1191,1192,1194,1195,1196,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:1929 8 ASN HB- 3.50 (# 1929:20 Single Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1154,1155, 79, 80, 79, 80,
igr2= 120, 121,
&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= 6.36, r4= 6.86,
igr1=1247, 203,
igr2=1239,1240,1239,1240,
&end
#
# 0 AMB 20-2:1931 80 ASP HB- 5.50 (# 1931:20 Single Ambig)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1247, 203,
igr2=1239,1240,
&end
#
# 79 VAL MGY 80 ASP HB+ 3.50 (# 1932:20 Unique 2.21, 5.31 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1239,1240,
&end
#
# 79 VAL MGY 80 ASP HB- 5.50 (# 1933:20 Unique 2.21, 5.31 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1239,1240,
&end
#
# 0 AMB 20-2:1935 0 AMB 20-1:1935 2.80 (# 1935:20 Double Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 652, 645,
igr2= 647, 648, 647, 648,
&end
#
# 42 GLU HA 41 GLY HA+ 4.50 (# 1938:20 Unique 4.36, 4.52 A)
&rst
ixpk= 1938, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 647, 648,
&end
#
# 78 ILE HN 78 ILE HB 2.80 (# 1940:20 Unique 2.56, 2.61 A)
&rst
ixpk= 1940, nxpk= 20, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 GLU HN 83 GLU HG+ 4.50 (# 1941:20 Unique 4.04, 4.36 A)
&rst
ixpk= 1941, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1292,1293,
&end
#
# 83 GLU HN 83 GLU HG- 4.50 (# 1942:20 Unique 4.04, 4.36 A)
&rst
ixpk= 1942, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1292,1293,
&end
#
# 84 ILE HN 83 GLU HG+ 2.80 (# 1943:20 Unique 2.08, 3.13 A)
&rst
ixpk= 1943, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1292,1293,
&end
#
# 84 ILE HN 83 GLU HG- 2.80 (# 1944:20 Unique 2.08, 3.13 A)
&rst
ixpk= 1944, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1292,1293,
&end
#
# 83 GLU HA 83 GLU HG+ 2.80 (# 1945:20 Unique 2.28, 2.61 A)
&rst
ixpk= 1945, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1292,1293,
&end
#
# 83 GLU HA 83 GLU HG- 2.80 (# 1946:20 Unique 2.28, 2.61 A)
&rst
ixpk= 1946, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1292,1293,
&end
#
# 85 PRO HD- 83 GLU HG+ 3.50 (# 1947:20 Unique 2.49, 4.36 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1320,1321,
igr2=1292,1293,
&end
#
# 85 PRO HD- 83 GLU HG- 5.50 (# 1948:20 Unique 2.49, 4.36 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1320,1321,
igr2=1292,1293,
&end
#
# 76 THR MG2 83 GLU HG+ 2.80 (# 1949:20 Unique 2.07, 3.14 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1173,1174,1175,
igr2=1292,1293,
&end
#
# 76 THR MG2 83 GLU HG- 2.80 (# 1950:20 Unique 2.07, 3.14 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1173,1174,1175,
igr2=1292,1293,
&end
#
# 78 ILE QD1 83 GLU HG+ 2.80 (# 1951:20 Unique 2.87, 4.04 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1213,1214,1215,
igr2=1292,1293,
&end
#
# 78 ILE QD1 83 GLU HG- 3.50 (# 1952:20 Unique 2.87, 4.04 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1213,1214,1215,
igr2=1292,1293,
&end
#
# 89 SER HN 0 AMB 20-1:1954 2.80 (# 1954:20 Single Ambig)
&rst
ixpk= 1954, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1381,1382,1381,1382,
&end
#
# 9 THR HB 87 ILE HB 5.50 (# 1957:20 Unique 4.45, 4.59 A)
&rst
ixpk= 1957, nxpk= 20, iat= 134,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ILE HA 84 ILE QD1 4.50 (# 1958:20 Unique 4.66, 5.46 A)
&rst
ixpk= 1958, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1313,1314,1315,
&end
#
# 79 VAL HA 84 ILE QD1 5.50 (# 1959:20 Unique 4.54, 6.21 A)
&rst
ixpk= 1959, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:1960 80 ASP HB- 5.50 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1268,1269,1223,
igr2=1239,1240,
&end
#
# 0 AMB 20-2:1961 0 AMB 20-1:1961 5.50 (# 1961:20 Double Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1268,1269,1223,
igr2=1239,1240,1239,1240,
&end
#
# 78 ILE QG2 79 VAL HB 5.50 (# 1962:20 Unique 5.32, 6.43 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1206,1207,1208,
&end
#
# 76 THR MG2 78 ILE QD1 2.80 (# 1963:20 Unique 2.01, 3.91 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1173,1174,1175,
igr2=1213,1214,1215,
&end
#
# 84 ILE HB 77 LEU MDX 5.50 (# 1964:20 Unique 2.55, 4.35 A)
&rst
ixpk= 1964, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 78 ILE QD1 76 THR MG2 2.80 (# 1965:20 Unique 2.01, 3.91 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1213,1214,1215,
igr2=1173,1174,1175,
&end
#
# 87 ILE HN 87 ILE QD1 5.50 (# 1966:20 Unique 2.23, 4.04 A)
&rst
ixpk= 1966, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1361,1362,1363,
&end
#
# 71 GLU HB+ 73 ILE HB 5.50 (# 1967:20 Unique 4.01, 7.20 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 65 SER HB+ 73 ILE QD1 4.50 (# 1968:20 Unique 2.22, 4.15 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 997, 998,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:1969 73 ILE QD1 3.50 (# 1969:20 Single Ambig)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 729, 730,1070,1107,1108,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:1970 72 GLY HA- 5.50 (# 1970:20 Single Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1078,1079,1078,1079,
igr2=1107,1108,
&end
#
# 0 AMB 20-2:1971 0 AMB 20-1:1971 5.50 (# 1971:20 Double Ambig)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1078,1079,1078,1079,
igr2=1107,1108,1107,1108,
&end
#
# 71 GLU HN 71 GLU HA 2.80 (# 1972:20 Unique 2.28, 2.81 A)
&rst
ixpk= 1972, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1973 71 GLU HA 3.50 (# 1973:20 Single Ambig)
&rst
ixpk= 1973, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1078,1079,1078,1079,
&end
#
# 0 AMB 20-2:1974 71 GLU HA 3.50 (# 1974:20 Single Ambig)
&rst
ixpk= 1974, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1122,1123,1075,1076,1075,1076,
&end
#
# 66 SER HB- 66 SER HA 2.80 (# 1977:20 Unique 2.29, 2.67 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1008,1009,
&end
#
# 76 THR HN 64 VAL MGX 5.50 (# 1979:20 Unique 3.14, 6.09 A)
&rst
ixpk= 1979, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 75 HIS HA 64 VAL MGX 5.50 (# 1980:20 Unique 4.25, 6.92 A)
&rst
ixpk= 1980, nxpk= 20, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 28 MET ME 63 ALA MB 4.50 (# 1982:20 Unique 5.64, 8.70 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 453, 454, 455,
igr2= 971, 972, 973,
&end
#
# 0 AMB 20-2:1984 0 AMB 20-1:1984 3.50 (# 1984:20 Double Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 92, 90, 422,
igr2= 408, 409, 408, 409, 408, 409,
&end
#
# 7 THR HA 25 LYS HE- 5.50 (# 1985:20 Unique 2.10, 3.57 A)
&rst
ixpk= 1985, nxpk= 20, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 411, 412,
&end
#
# 50 THR HN 61 ILE QG2 5.50 (# 1986:20 Unique 3.80, 4.72 A)
&rst
ixpk= 1986, nxpk= 20, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 60 TYR HB- 60 TYR HA 2.80 (# 1987:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 909, 910,
&end
#
# 12 LEU HB+ 54 ILE QD1 5.50 (# 1989:20 Unique 2.85, 4.27 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 188, 189,
igr2= 838, 839, 840,
&end
#
# 0 AMB 20-2:1990 54 ILE QD1 3.50 (# 1990:20 Single Ambig)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 193, 194, 195, 197, 198, 199, 898, 899,
igr2= 838, 839, 840,
&end
#
# 50 THR HN 49 GLU HB+ 5.50 (# 1991:20 Unique 2.71, 3.70 A)
&rst
ixpk= 1991, nxpk= 20, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 50 THR HN 49 GLU HB- 5.50 (# 1992:20 Unique 2.71, 3.70 A)
&rst
ixpk= 1992, nxpk= 20, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 48 THR HB 48 THR HA 3.50 (# 1993:20 Unique 2.76, 2.92 A)
&rst
ixpk= 1993, nxpk= 20, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1994 40 ALA MB 2.80 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 781, 782, 781, 782,
igr2= 639, 640, 641,
&end
#
# 39 THR HB 39 THR HA 2.80 (# 1995:20 Unique 2.39, 2.51 A)
&rst
ixpk= 1995, nxpk= 20, iat= 625, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1996 0 AMB 20-1:1996 2.80 (# 1996:20 Double Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 364, 184,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 0 AMB 20-2:1997 0 AMB 20-1:1997 4.50 (# 1997:20 Double Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 329, 522,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 10 TRP HN 0 AMB 20-1:1998 4.50 (# 1998:20 Single Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 52 PHE HB+ 39 THR MG2 2.80 (# 1999:20 Unique 2.12, 3.88 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 798, 799,
igr2= 627, 628, 629,
&end
#
# 0 AMB 20-2:2000 0 AMB 20-1:2000 2.80 (# 2000:20 Double Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 315, 316, 315, 316, 207, 208, 315, 316,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 37 LEU HN 37 LEU HG 5.50 (# 2002:20 Unique 2.01, 2.65 A)
&rst
ixpk= 2002, nxpk= 20, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HB+ 37 LEU MDX 2.80 (# 2003:20 Unique 2.00, 4.10 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 515, 516,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 38 GLU HG+ 37 LEU MDX 3.50 (# 2004:20 Unique 4.05, 7.28 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 613, 614,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HB- 37 LEU MDX 3.50 (# 2005:20 Unique 2.00, 4.10 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 515, 516,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 30 VAL MGX 37 LEU MDX 3.50 (# 2007:20 Unique 2.00, 6.00 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 31 TRP HB+ 30 VAL MGY 5.50 (# 2008:20 Unique 4.56, 6.71 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 491, 492,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 24 GLU HN 29 ASP HB- 5.50 (# 2009:20 Unique 3.93, 4.85 A)
&rst
ixpk= 2009, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 36 LYS HG- 29 ASP HB+ 5.50 (# 2010:20 Unique 2.19, 4.14 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 572, 573,
igr2= 463, 464,
&end
#
# 25 LYS HE+ 28 MET ME 5.50 (# 2011:20 Unique 6.36, 9.38 A)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 411, 412,
igr2= 453, 454, 455,
&end
#
# 27 ALA HN 27 ALA HA 2.80 (# 2012:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2012, nxpk= 20, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 ASP HB- 27 ALA HA 4.50 (# 2013:20 Unique 4.27, 5.08 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424, 425,
&end
#
# 27 ALA MB 27 ALA HA 2.80 (# 2014:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2014, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 436, 437, 438,
&end
#
# 26 ASP HN 27 ALA MB 5.50 (# 2015:20 Unique 4.26, 5.31 A)
&rst
ixpk= 2015, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 436, 437, 438,
&end
#
# 27 ALA HN 27 ALA MB 2.80 (# 2016:20 Unique 2.32, 3.09 A)
&rst
ixpk= 2016, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 436, 437, 438,
&end
#
# 29 ASP HN 27 ALA MB 3.50 (# 2017:20 Unique 2.97, 4.21 A)
&rst
ixpk= 2017, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 436, 437, 438,
&end
#
# 27 ALA HA 27 ALA MB 2.80 (# 2019:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2019, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 436, 437, 438,
&end
#
# 28 MET HA 27 ALA MB 5.50 (# 2020:20 Unique 4.60, 5.50 A)
&rst
ixpk= 2020, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 436, 437, 438,
&end
#
# 26 ASP HB- 27 ALA MB 3.50 (# 2021:20 Unique 3.65, 5.55 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 424, 425,
igr2= 436, 437, 438,
&end
#
# 29 ASP HB+ 27 ALA MB 3.50 (# 2022:20 Unique 2.88, 4.86 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 463, 464,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:2023 27 ALA MB 3.50 (# 2023:20 Single Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 387, 388, 390, 391,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:2024 27 ALA MB 3.50 (# 2024:20 Single Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 387, 388, 463, 464, 390, 391,
igr2= 436, 437, 438,
&end
#
# 25 LYS HA 26 ASP HA 5.50 (# 2025:20 Unique 4.69, 4.72 A)
&rst
ixpk= 2025, nxpk= 20, iat= 400, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS HN 24 GLU HB- 5.50 (# 2026:20 Unique 2.69, 3.54 A)
&rst
ixpk= 2026, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 388,
&end
#
# 25 LYS HN 24 GLU HB+ 4.50 (# 2027:20 Unique 2.69, 3.54 A)
&rst
ixpk= 2027, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 18 ASN HA 11 VAL MGX 3.50 (# 2028:20 Preassigned 3.67, 6.28 A)
&rst
ixpk= 2028, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 18 ASN HB- 11 VAL MGX 3.50 (# 2029:20 Unique 2.08, 5.50 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 275, 276,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 18 ASN HB+ 11 VAL MGX 3.50 (# 2030:20 Unique 2.08, 5.50 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 275, 276,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 74 ILE HN 64 VAL MGY 3.50 (# 2031:20 Preassigned 4.26, 5.36 A)
&rst
ixpk= 2031, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 0 AMB 20-2:2032 0 AMB 20-1:2032 2.80 (# 2032:20 Double Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 350,
igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
359, 360,
&end
#
# 30 VAL MGX 21 ILE QD1 4.50 (# 2033:20 Unique 3.66, 7.15 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 342, 343, 344,
&end
#
# 32 CYS HB- 21 ILE QG2 5.50 (# 2035:20 Unique 3.80, 5.99 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 515, 516,
igr2= 335, 336, 337,
&end
#
# 30 VAL MGX 21 ILE QG2 2.80 (# 2036:20 Unique 2.00, 5.17 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:2037 0 AMB 20-1:2037 5.50 (# 2037:20 Double Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2= 227, 228, 227, 228,
&end
#
# 0 AMB 20-2:2038 14 MET HG- 5.50 (# 2038:20 Single Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 193, 194, 195, 197, 198, 199, 191,
igr2= 227, 228,
&end
#
# 0 AMB 20-2:2039 14 MET ME 5.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 241, 242, 241, 242, 207, 208,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:2040 0 AMB 20-1:2040 5.50 (# 2040:20 Double Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 280, 281, 216,
igr2= 207, 208, 207, 208,
&end
#
# 23 LEU HN 9 THR MG2 5.50 (# 2041:20 Preassigned 5.16, 6.34 A)
&rst
ixpk= 2041, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 10 TRP HE3 9 THR MG2 5.50 (# 2042:20 Unique 5.99, 7.55 A)
&rst
ixpk= 2042, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 20 ARG HB+ 9 THR MG2 3.50 (# 2043:20 Preassigned 4.50, 5.77 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 309, 310,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:2044 9 THR MG2 4.50 (# 2044:20 Single Ambig)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 172,1337,1338,1337,1338,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:2045 9 THR MG2 4.50 (# 2045:20 Single Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1352, 70, 71,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:2046 0 AMB 20-1:2046 4.50 (# 2046:20 Double Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1154,1155, 79, 80, 79, 80,
igr2= 120, 121, 120, 121, 120, 121,
&end
#
# 23 LEU HN 7 THR HB 5.50 (# 2047:20 Preassigned 3.52, 4.39 A)
&rst
ixpk= 2047, nxpk= 20, iat= 364, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2048 7 THR MG2 4.50 (# 2048:20 Single Ambig)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 364, 383,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:2049 7 THR MG2 4.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 92, 90, 57,
igr2= 108, 109, 110,
&end
#
# 24 GLU HB+ 7 THR MG2 3.50 (# 2050:20 Unique 3.18, 4.68 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 387, 388,
igr2= 108, 109, 110,
&end
#
# 42 GLU HB+ 48 THR MG2 4.50 (# 2051:20 Unique 2.00, 5.27 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 656, 657,
igr2= 740, 741, 742,
&end
#
# 5 LYS HA 5 LYS HG+ 5.50 (# 2053:20 Unique 2.27, 3.20 A)
&rst
ixpk= 2053, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
&end
#
# 5 LYS HA 5 LYS HG- 4.50 (# 2054:20 Unique 2.27, 3.20 A)
&rst
ixpk= 2054, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 73, 74,
&end
#
# 0 AMB 20-2:2055 0 AMB 20-1:2055 2.80 (# 2055:20 Double Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 73, 74,1075,1076,1075,1076,1075,1076,
igr2= 79, 80, 79, 80,1081,1082,1081,1082,1081,1082,
&end
#
# 3 ARG HA 3 ARG HG+ 2.80 (# 2056:20 Unique 2.30, 3.27 A)
&rst
ixpk= 2056, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 38, 39,
&end
#
# 84 ILE HG1- 0 AMB 20-1:2057 5.50 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1310,1311,
igr2= 148, 149, 148, 149,
&end
#
# 0 AMB 20-2:2058 0 AMB 20-1:2058 5.50 (# 2058:20 Double Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=1304,1337,1338,1337,1338,1337,1338, 172,
igr2= 148, 149, 148, 149, 148, 149, 148, 149,
&end
#
# 11 VAL HB 87 ILE QD1 5.50 (# 2059:20 Preassigned 2.14, 3.49 A)
&rst
ixpk= 2059, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1361,1362,1363,
&end
#
# 10 TRP HN 87 ILE QG2 5.50 (# 2060:20 Unique 7.28, 8.26 A)
&rst
ixpk= 2060, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 89 SER HN 87 ILE QG2 5.50 (# 2061:20 Unique 2.38, 4.36 A)
&rst
ixpk= 2061, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 11 VAL HA 87 ILE QG2 5.50 (# 2062:20 Unique 5.63, 7.66 A)
&rst
ixpk= 2062, nxpk= 20, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 10 TRP HA 87 ILE QG2 5.50 (# 2063:20 Unique 5.40, 6.28 A)
&rst
ixpk= 2063, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 9 THR HN 86 GLU HB+ 5.50 (# 2064:20 Unique 4.29, 5.12 A)
&rst
ixpk= 2064, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 9 THR HN 86 GLU HB- 5.50 (# 2065:20 Unique 4.29, 5.12 A)
&rst
ixpk= 2065, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 10 TRP HD1 86 GLU HB+ 5.50 (# 2066:20 Unique 4.29, 7.69 A)
&rst
ixpk= 2066, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 10 TRP HD1 86 GLU HB- 5.50 (# 2067:20 Unique 4.29, 7.69 A)
&rst
ixpk= 2067, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 9 THR HN 86 GLU HG- 5.50 (# 2068:20 Unique 2.29, 3.24 A)
&rst
ixpk= 2068, nxpk= 20, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1340,1341,
&end
#
# 82 ARG HN 81 ASN HB+ 5.50 (# 2071:20 Unique 4.13, 4.37 A)
&rst
ixpk= 2071, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1251,1252,
&end
#
# 82 ARG HN 81 ASN HB- 5.50 (# 2072:20 Unique 4.13, 4.37 A)
&rst
ixpk= 2072, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:2073 0 AMB 20-1:2073 3.50 (# 2073:20 Double Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1271,1272,1271,1272,
igr2=1251,1252,1251,1252,
&end
#
# 0 AMB 20-2:2074 81 ASN HB- 3.50 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1271,1272,1271,1272,
igr2=1251,1252,
&end
#
# 80 ASP HN 79 VAL HB 5.50 (# 2075:20 Unique 2.91, 3.92 A)
&rst
ixpk= 2075, nxpk= 20, iat=1235,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ILE HA 79 VAL MGX 4.50 (# 2077:20 Unique 3.90, 5.68 A)
&rst
ixpk= 2077, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:2078 79 VAL MGX 5.50 (# 2078:20 Single Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 869, 870, 886, 887,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HB- 79 VAL MGX 5.50 (# 2079:20 Unique 2.21, 5.31 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1239,1240,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:2080 79 VAL MGX 5.50 (# 2080:20 Single Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1271,1272,1271,1272, 869, 870,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HB+ 79 VAL MGX 5.50 (# 2081:20 Unique 2.21, 5.31 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1239,1240,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:2083 79 VAL MGX 5.50 (# 2083:20 Single Ambig)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 227, 228, 120, 121,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 20-2:2084 78 ILE HG1- 5.50 (# 2084:20 Single Ambig)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 905,1300,1247, 967,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:2085 0 AMB 20-1:2085 5.50 (# 2085:20 Double Ambig)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 905,1300,1247, 967,
igr2=1210,1211,1210,1211,1210,1211,1210,1211,
&end
#
# 0 AMB 20-2:2086 0 AMB 20-1:2086 5.50 (# 2086:20 Double Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 955, 956, 949, 950,
igr2=1210,1211,1210,1211,
&end
#
# 62 LYS HN 78 ILE QD1 5.50 (# 2087:20 Unique 4.72, 5.53 A)
&rst
ixpk= 2087, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 0 AMB 20-2:2089 78 ILE QD1 4.50 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 928, 969,
igr2=1213,1214,1215,
&end
#
# 81 ASN HA 78 ILE QD1 5.50 (# 2090:20 Unique 4.75, 6.03 A)
&rst
ixpk= 2090, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 59 CYS HB- 78 ILE QG2 5.50 (# 2091:20 Unique 5.92, 7.95 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899,
igr2=1206,1207,1208,
&end
#
# 76 THR MG2 78 ILE QG2 5.50 (# 2092:20 Unique 5.16, 7.14 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1173,1174,1175,
igr2=1206,1207,1208,
&end
#
# 73 ILE HN 74 ILE QD1 5.50 (# 2093:20 Preassigned 4.32, 5.54 A)
&rst
ixpk= 2093, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1144,1145,1146,
&end
#
# 72 GLY HA+ 74 ILE QD1 5.50 (# 2094:20 Unique 3.61, 5.47 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1107,1108,
igr2=1144,1145,1146,
&end
#
# 74 ILE QD1 72 GLY HA- 5.50 (# 2097:20 Unique 3.61, 5.47 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1146,
igr2=1107,1108,
&end
#
# 70 LYS HA 0 AMB 20-1:2099 5.50 (# 2099:20 Single Ambig)
&rst
ixpk= 2099, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1097,1098,1097,1098,
&end
#
# 72 GLY HA- 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= 7.78, r4= 8.28,
igr1=1107,1108,
igr2=1097,1098,1097,1098,
&end
#
# 73 ILE HG1+ 65 SER HB+ 3.50 (# 2101:20 Unique 4.41, 5.96 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1122,1123,
igr2= 997, 998,
&end
#
# 73 ILE HG1+ 65 SER HB- 4.50 (# 2102:20 Preassigned 4.41, 5.96 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1122,1123,
igr2= 997, 998,
&end
#
# 63 ALA HN 0 AMB 20-1:2103 4.50 (# 2103:20 Single Ambig)
&rst
ixpk= 2103, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:2104 0 AMB 20-1:2104 5.50 (# 2104:20 Double Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 926, 734,
igr2= 952, 953, 952, 953, 952, 953,
&end
#
# 60 TYR HE 0 AMB 20-1:2105 5.50 (# 2105:20 Single Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 915, 920,
igr2= 952, 953, 952, 953,
&end
#
# 79 VAL HA 59 CYS HB+ 5.50 (# 2106:20 Unique 3.32, 4.52 A)
&rst
ixpk= 2106, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 898, 899,
&end
#
# 77 LEU HG 59 CYS HB+ 4.50 (# 2107:20 Unique 3.53, 5.11 A)
&rst
ixpk= 2107, nxpk= 20, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 898, 899,
&end
#
# 53 SER HN 58 ASP HB+ 5.50 (# 2108:20 Preassigned 6.42, 8.54 A)
&rst
ixpk= 2108, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 53 SER HN 58 ASP HB- 5.50 (# 2109:20 Preassigned 6.42, 8.54 A)
&rst
ixpk= 2109, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 53 SER HA 58 ASP HB- 5.50 (# 2110:20 Unique 4.80, 6.20 A)
&rst
ixpk= 2110, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 57 HIS HB+ 54 ILE HG1- 5.50 (# 2113:20 Unique 4.16, 6.07 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 869, 870,
igr2= 835, 836,
&end
#
# 0 AMB 20-2:2114 54 ILE QD1 5.50 (# 2114:20 Single Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 295, 299, 157, 878,
igr2= 838, 839, 840,
&end
#
# 59 CYS HA 54 ILE QD1 5.50 (# 2115:20 Preassigned 5.48, 7.81 A)
&rst
ixpk= 2115, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 838, 839, 840,
&end
#
# 51 HIS HD2 51 HIS HB+ 5.50 (# 2116:20 Unique 2.69, 3.37 A)
&rst
ixpk= 2116, nxpk= 20, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 781, 782,
&end
#
# 44 VAL HN 48 THR MG2 5.50 (# 2117:20 Unique 4.50, 5.82 A)
&rst
ixpk= 2117, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
&end
#
# 47 GLY HA- 44 VAL MGX 5.50 (# 2118:20 Unique 3.97, 6.42 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 729, 730,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 48 THR HB 44 VAL MGX 5.50 (# 2119:20 Unique 5.35, 8.13 A)
&rst
ixpk= 2119, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 43 PHE HB+ 44 VAL MGX 5.50 (# 2120:20 Unique 4.84, 6.63 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 671, 672,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 49 GLU HN 44 VAL MGY 4.50 (# 2121:20 Preassigned 2.63, 5.10 A)
&rst
ixpk= 2121, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 22 VAL HA 7 THR MG2 5.50 (# 2123:20 Unique 4.10, 5.76 A)
&rst
ixpk= 2123, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 48 THR HA 44 VAL MGY 4.50 (# 2124:20 Unique 3.15, 5.63 A)
&rst
ixpk= 2124, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 693, 694, 695, 697, 698, 699,
&end
#
# 39 THR HA 40 ALA MB 4.50 (# 2125:20 Unique 4.00, 4.93 A)
&rst
ixpk= 2125, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 51 HIS HN 39 THR MG2 4.50 (# 2126:20 Preassigned 3.21, 5.10 A)
&rst
ixpk= 2126, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 627, 628, 629,
&end
#
# 7 THR HB 22 VAL MGY 2.80 (# 2127:20 Unique 2.01, 3.85 A)
&rst
ixpk= 2127, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 52 PHE HD 37 LEU MDY 5.50 (# 2128:20 Unique 2.00, 6.51 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 802, 810,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 30 VAL MGX 32 CYS HB+ 5.50 (# 2129:20 Unique 3.44, 6.17 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 515, 516,
&end
#
# 30 VAL MGX 32 CYS HB- 5.50 (# 2130:20 Unique 3.44, 6.17 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 477, 478, 479, 481, 482, 483,
igr2= 515, 516,
&end
#
# 22 VAL MGY 31 TRP HB- 5.50 (# 2131:20 Unique 2.97, 4.98 A)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 491, 492,
&end
#
# 22 VAL MGY 31 TRP HB+ 5.50 (# 2132:20 Unique 2.97, 4.98 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 491, 492,
&end
#
# 0 AMB 20-2:2134 30 VAL MGX 3.50 (# 2134:20 Single Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 368, 369, 339, 340, 936, 937,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 23 LEU HB+ 30 VAL MGY 5.50 (# 2135:20 Unique 3.11, 5.99 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 368, 369,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:2136 30 VAL MGY 3.50 (# 2136:20 Single Ambig)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 368, 369, 339, 340, 936, 937,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 20-2:2137 30 VAL MGY 2.80 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 596, 597, 598, 600, 601, 602, 373, 374, 375, 377,
378, 379,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 25 LYS HA 28 MET ME 5.50 (# 2138:20 Unique 2.68, 4.82 A)
&rst
ixpk= 2138, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 453, 454, 455,
&end
#
# 27 ALA MB 26 ASP HB+ 5.50 (# 2139:20 Unique 3.65, 5.55 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 436, 437, 438,
igr2= 424, 425,
&end
#
# 0 AMB 20-2:2140 23 LEU MDX 5.50 (# 2140:20 Single Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 125, 126, 459,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:2141 23 LEU MDX 3.50 (# 2141:20 Single Ambig)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1163, 159,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 TRP HZ3 23 LEU MDX 3.50 (# 2142:20 Unique 2.00,11.12 A)
&rst
ixpk= 2142, nxpk= 20, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:2143 0 AMB 20-1:2143 3.50 (# 2143:20 Double Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 315, 316, 315, 316, 207, 208, 315, 316,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 31 TRP HB+ 22 VAL MGX 3.50 (# 2144:20 Preassigned 2.97, 4.98 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 491, 492,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 31 TRP HB- 22 VAL MGX 3.50 (# 2145:20 Preassigned 2.97, 4.98 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 491, 492,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 31 TRP HD1 22 VAL MGX 3.50 (# 2146:20 Preassigned 3.07, 6.92 A)
&rst
ixpk= 2146, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 20-2:2147 0 AMB 20-1:2147 5.50 (# 2147:20 Double Ambig)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 506, 152,
igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 9 THR HB 22 VAL MGY 3.50 (# 2148:20 Preassigned 4.39, 6.35 A)
&rst
ixpk= 2148, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 10 TRP HE3 21 ILE QD1 5.50 (# 2149:20 Unique 3.37, 7.62 A)
&rst
ixpk= 2149, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 19 PHE HA 21 ILE QD1 5.50 (# 2150:20 Preassigned 4.20, 5.84 A)
&rst
ixpk= 2150, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:2151 21 ILE QD1 5.50 (# 2151:20 Single Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 184, 536,
igr2= 342, 343, 344,
&end
#
# 23 LEU HB+ 21 ILE QG2 3.50 (# 2152:20 Unique 3.38, 4.92 A)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 368, 369,
igr2= 335, 336, 337,
&end
#
# 23 LEU HN 21 ILE QG2 3.50 (# 2153:20 Preassigned 3.52, 4.64 A)
&rst
ixpk= 2153, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 335, 336, 337,
&end
#
# 32 CYS HA 21 ILE QG2 5.50 (# 2154:20 Unique 3.51, 4.81 A)
&rst
ixpk= 2154, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 335, 336, 337,
&end
#
# 0 AMB 20-2:2155 20 ARG HB- 3.50 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180, 342, 343, 344,1361,1362,1363,
igr2= 309, 310,
&end
#
# 0 AMB 20-2:2156 20 ARG HB- 3.50 (# 2156:20 Single Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
igr2= 309, 310,
&end
#
# 20 ARG HA 21 ILE HG1- 5.50 (# 2157:20 Unique 3.38, 4.86 A)
&rst
ixpk= 2157, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:2158 0 AMB 20-1:2158 5.50 (# 2158:20 Double Ambig)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 227, 228, 446, 447,
igr2= 241, 242, 241, 242, 671, 672, 798, 799,
&end
#
# 15 ASP HN 14 MET HB+ 5.50 (# 2159:20 Unique 1.95, 2.70 A)
&rst
ixpk= 2159, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 19 PHE HD 14 MET HG+ 5.50 (# 2160:20 Unique 2.14, 5.93 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 293, 301,
igr2= 227, 228,
&end
#
# 13 HIS HN 13 HIS HB+ 4.50 (# 2161:20 Unique 2.38, 3.17 A)
&rst
ixpk= 2161, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 207, 208,
&end
#
# 13 HIS HN 13 HIS HB- 3.50 (# 2162:20 Unique 2.38, 3.17 A)
&rst
ixpk= 2162, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 207, 208,
&end
#
# 10 TRP HD1 11 VAL MGY 5.50 (# 2163:20 Preassigned 3.56, 7.20 A)
&rst
ixpk= 2163, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 86 GLU HA 9 THR MG2 5.50 (# 2164:20 Unique 5.89, 7.29 A)
&rst
ixpk= 2164, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 7 THR HN 6 THR MG2 4.50 (# 2165:20 Unique 3.20, 4.78 A)
&rst
ixpk= 2165, nxpk= 20, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 94, 95, 96,
&end
#
# 0 AMB 20-2:2166 0 AMB 20-1:2166 5.50 (# 2166:20 Double Ambig)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
igr1=1313,1314,1315, 838, 839, 840, 373, 374, 375, 377,
378, 379,
igr2= 148, 149, 148, 149, 148, 149, 148, 149,
&end
#
# 65 SER HB- 73 ILE QD1 3.50 (# 2168:20 Unique 2.22, 4.15 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 997, 998,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:2169 0 AMB 20-1:2169 5.50 (# 2169:20 Double Ambig)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 495, 125, 126,
igr2= 387, 388, 387, 388,
&end
#
# 52 PHE HZ 61 ILE QD1 4.50 (# 2170:20 Unique 2.97, 5.70 A)
&rst
ixpk= 2170, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 939, 940, 941,
&end
#
# 0 AMB 20-2:2172 78 ILE HB 4.50 (# 2172:20 Single Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 905,1247,
&end
#
# 79 VAL HN 78 ILE HB 5.50 (# 2173:20 Unique 4.16, 4.38 A)
&rst
ixpk= 2173, nxpk= 20, iat=1219,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 TYR HD 78 ILE HB 5.50 (# 2174:20 Unique 2.99, 4.62 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 913, 922,
&end
#
# 78 ILE HA 78 ILE HB 5.50 (# 2175:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2175, nxpk= 20, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU HA 78 ILE HB 5.50 (# 2176:20 Unique 4.60, 4.64 A)
&rst
ixpk= 2176, nxpk= 20, iat=1183,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ILE HG1+ 78 ILE HB 2.80 (# 2177:20 Unique 2.43, 2.46 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1210,1211,
&end
#
# 78 ILE HG1- 78 ILE HB 2.80 (# 2178:20 Unique 2.43, 2.46 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1210,1211,
&end
#
# 10 TRP HD1 84 ILE QD1 5.50 (# 2181:20 Unique 5.13, 7.14 A)
&rst
ixpk= 2181, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1313,1314,1315,
&end
#
# 10 TRP HE1 84 ILE QG2 5.50 (# 2182:20 Unique 2.40, 4.29 A)
&rst
ixpk= 2182, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1306,1307,1308,
&end
#
# 51 HIS HD2 42 GLU HB- 5.50 (# 2183:20 Preassigned 5.98, 9.18 A)
&rst
ixpk= 2183, nxpk= 20, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:2185 79 VAL MGX 5.50 (# 2185:20 Single Ambig)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 161, 804, 808,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 52 PHE HE 50 THR MG2 5.50 (# 2186:20 Unique 2.49, 6.06 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 808,
igr2= 769, 770, 771,
&end
#
# 52 PHE HE 54 ILE HG1- 3.50 (# 2188:20 Unique 3.30, 7.71 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 808,
igr2= 835, 836,
&end
#
# 52 PHE HD 54 ILE HG1+ 4.50 (# 2189:20 Unique 3.93, 7.76 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 802, 810,
igr2= 835, 836,
&end
#
# 0 AMB 20-2:2190 76 THR HB 4.50 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 983, 984, 985, 987, 988, 989,1210,1211,
&end
#
# 77 LEU HA 61 ILE HG1- 5.50 (# 2191:20 Unique 2.52, 3.63 A)
&rst
ixpk= 2191, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 77 LEU HA 61 ILE HG1+ 5.50 (# 2192:20 Unique 2.52, 3.63 A)
&rst
ixpk= 2192, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 0 AMB 20-2:2193 0 AMB 20-1:2193 5.50 (# 2193:20 Double Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1044, 734,
igr2= 997, 998, 997, 998,
&end
#
# 0 AMB 20-2:2194 0 AMB 20-1:2194 3.50 (# 2194:20 Double Ambig)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 203, 305, 814,
igr2= 174, 175, 176, 178, 179, 180, 627, 628, 629,
&end
#
# 31 TRP HN 23 LEU MDX 5.50 (# 2195:20 Unique 3.84, 6.30 A)
&rst
ixpk= 2195, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 87 ILE QG2 88 ALA HA 5.50 (# 2196:20 Unique 3.18, 4.64 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1354,1355,1356,
&end
#
# 84 ILE HA 85 PRO HG+ 4.50 (# 2197:20 Unique 4.17, 4.38 A)
&rst
ixpk= 2197, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1323,1324,
&end
#
# 84 ILE HA 85 PRO HG- 4.50 (# 2198:20 Unique 4.17, 4.38 A)
&rst
ixpk= 2198, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1323,1324,
&end
#
# 79 VAL MGX 84 ILE HG1- 2.80 (# 2199:20 Unique 2.00, 4.19 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1310,1311,
&end
#
# 79 VAL MGY 84 ILE HG1- 2.80 (# 2200:20 Unique 2.00, 4.19 A)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:2201 84 ILE QD1 2.80 (# 2201:20 Single Ambig)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1268,1269,1268,1269,1223,
igr2=1313,1314,1315,
&end
#
# 79 VAL MGX 84 ILE QG2 3.50 (# 2202:20 Unique 3.15, 5.80 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:2203 84 ILE QG2 2.80 (# 2203:20 Single Ambig)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:2204 78 ILE QG2 4.50 (# 2204:20 Single Ambig)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1265,1266,1265,1266,
igr2=1206,1207,1208,
&end
#
# 10 TRP HE3 77 LEU MDX 5.50 (# 2205:20 Unique 2.15, 6.13 A)
&rst
ixpk= 2205, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:2206 77 LEU MDY 2.80 (# 2206:20 Single Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 373, 374, 375, 377, 378, 379, 193, 194, 195, 197,
198, 199,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 79 VAL MGX 77 LEU MDY 2.80 (# 2207:20 Unique 2.00, 5.33 A)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:2208 75 HIS HA 3.50 (# 2208:20 Single Ambig)
&rst
ixpk= 2208, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
&end
#
# 0 AMB 20-2:2209 75 HIS HA 5.50 (# 2209:20 Single Ambig)
&rst
ixpk= 2209, nxpk= 20, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 405, 406, 371,1173,1174,1175,
&end
#
# 19 PHE HB- 54 ILE QD1 3.50 (# 2211:20 Unique 2.41, 5.24 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 289, 290,
igr2= 838, 839, 840,
&end
#
# 0 AMB 20-2:2212 54 ILE QG2 5.50 (# 2212:20 Single Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 515, 516, 289, 290,
igr2= 831, 832, 833,
&end
#
# 52 PHE HD 30 VAL MGX 3.50 (# 2213:20 Unique 2.35, 5.20 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 802, 810,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 52 PHE HB- 30 VAL MGY 5.50 (# 2214:20 Unique 2.71, 5.14 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 798, 799,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 31 TRP HE1 24 GLU HB- 5.50 (# 2215:20 Unique 3.82, 6.19 A)
&rst
ixpk= 2215, nxpk= 20, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:2216 0 AMB 20-1:2216 5.50 (# 2216:20 Double Ambig)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 366, 104,
igr2= 387, 388, 387, 388,
&end
#
# 0 AMB 20-2:2217 24 GLU HB- 5.50 (# 2217:20 Single Ambig)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 104,
igr2= 387, 388,
&end
#
# 27 ALA HN 24 GLU HB+ 5.50 (# 2218:20 Unique 2.31, 3.06 A)
&rst
ixpk= 2218, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 388,
&end
#
# 27 ALA MB 24 GLU HB+ 3.50 (# 2219:20 Unique 2.05, 3.19 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 436, 437, 438,
igr2= 387, 388,
&end
#
# 27 ALA MB 24 GLU HB- 4.50 (# 2220:20 Unique 2.05, 3.19 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 436, 437, 438,
igr2= 387, 388,
&end
#
# 25 LYS HN 23 LEU MDX 5.50 (# 2221:20 Unique 3.81, 5.76 A)
&rst
ixpk= 2221, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 20-2:2222 12 LEU MDY 3.50 (# 2222:20 Single Ambig)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 289, 290,1239,1240, 148, 149, 148, 149,
igr2= 193, 194, 195, 197, 198, 199,
&end
#
# 21 ILE HN 9 THR MG2 3.50 (# 2223:20 Unique 2.88, 4.40 A)
&rst
ixpk= 2223, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 136, 137, 138,
&end
#
# 19 PHE HB- 21 ILE QD1 3.50 (# 2224:20 Unique 2.27, 4.13 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 289, 290,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:2225 0 AMB 20-1:2225 5.50 (# 2225:20 Double Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 92, 90,
igr2= 411, 412, 411, 412,
&end
#
# 80 ASP HA 58 ASP HB- 5.50 (# 2226:20 Unique 2.64, 4.63 A)
&rst
ixpk= 2226, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 57 HIS HB- 14 MET ME 4.50 (# 2227:20 Unique 2.16, 5.14 A)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 869, 870,
igr2= 231, 232, 233,
&end
#
# 52 PHE HZ 54 ILE QD1 5.50 (# 2228:20 Unique 5.14, 8.20 A)
&rst
ixpk= 2228, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 838, 839, 840,
&end
#
# 52 PHE HE 30 VAL MGY 4.50 (# 2230:20 Unique 2.02, 5.42 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 804, 808,
igr2= 477, 478, 479, 481, 482, 483,
&end
#
# 52 PHE HZ 59 CYS HB- 5.50 (# 2231:20 Unique 2.41, 4.57 A)
&rst
ixpk= 2231, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 898, 899,
&end
#
# 60 TYR HE 78 ILE HB 5.50 (# 2232:20 Unique 2.81, 5.95 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 920,
&end
#
# 54 ILE HN 57 HIS HB+ 5.50 (# 2233:20 Unique 2.87, 4.31 A)
&rst
ixpk= 2233, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 54 ILE HN 57 HIS HB- 5.50 (# 2234:20 Unique 2.87, 4.31 A)
&rst
ixpk= 2234, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 54 ILE HN 14 MET ME 5.50 (# 2235:20 Unique 4.37, 6.30 A)
&rst
ixpk= 2235, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 231, 232, 233,
&end
#
# 52 PHE HE 61 ILE HB 5.50 (# 2236:20 Unique 3.33, 7.04 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 804, 808,
&end
#
# 52 PHE HZ 61 ILE HG1- 5.50 (# 2237:20 Unique 2.22, 5.11 A)
&rst
ixpk= 2237, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 936, 937,
&end
#
# 31 TRP HA 32 CYS HB+ 5.50 (# 2238:20 Unique 4.16, 4.78 A)
&rst
ixpk= 2238, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 515, 516,
&end
#
# 21 ILE HA 32 CYS HB+ 5.50 (# 2239:20 Unique 3.70, 5.01 A)
&rst
ixpk= 2239, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 515, 516,
&end
#
# 21 ILE HA 32 CYS HB- 5.50 (# 2240:20 Unique 3.70, 5.01 A)
&rst
ixpk= 2240, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 515, 516,
&end
#
# 31 TRP HD1 22 VAL HB 5.50 (# 2241:20 Unique 3.16, 4.94 A)
&rst
ixpk= 2241, nxpk= 20, iat= 495, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2243 0 AMB 20-1:2243 5.50 (# 2243:20 Double Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 506, 152,
igr2= 390, 391, 390, 391,
&end
#
# 60 TYR HE 62 LYS HD- 5.50 (# 2244:20 Unique 3.17, 8.91 A)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 920,
igr2= 955, 956,
&end
#
# 62 LYS HE- 62 LYS HD- 3.50 (# 2245:20 Unique 2.28, 2.69 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 62 LYS HE+ 62 LYS HD- 2.80 (# 2246:20 Unique 2.28, 2.69 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 62 LYS HA 62 LYS HD- 5.50 (# 2247:20 Unique 4.01, 4.85 A)
&rst
ixpk= 2247, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 955, 956,
&end
#
# 18 ASN HA 13 HIS HB+ 5.50 (# 2248:20 Unique 2.63, 4.16 A)
&rst
ixpk= 2248, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 207, 208,
&end
#
# 18 ASN HA 13 HIS HB- 5.50 (# 2249:20 Unique 2.63, 4.16 A)
&rst
ixpk= 2249, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 207, 208,
&end
#
# 13 HIS HN 14 MET ME 5.50 (# 2251:20 Preassigned 4.46, 7.45 A)
&rst
ixpk= 2251, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:2252 14 MET ME 5.50 (# 2252:20 Single Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237, 285,
igr2= 231, 232, 233,
&end
#
# 63 ALA HN 49 GLU HA 4.50 (# 2253:20 Preassigned 3.95, 4.78 A)
&rst
ixpk= 2253, nxpk= 20, iat= 967, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 LYS HA 49 GLU HA 2.80 (# 2254:20 Preassigned 2.62, 3.64 A)
&rst
ixpk= 2254, nxpk= 20, iat= 947, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ILE HN 51 HIS HA 4.50 (# 2255:20 Preassigned 4.30, 5.09 A)
&rst
ixpk= 2255, nxpk= 20, iat= 926, 779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 TYR HA 51 HIS HA 2.80 (# 2256:20 Preassigned 3.11, 3.98 A)
&rst
ixpk= 2256, nxpk= 20, iat= 907, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 HIS HA 60 TYR HA 2.80 (# 2257:20 Preassigned 3.11, 3.98 A)
&rst
ixpk= 2257, nxpk= 20, iat= 779, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 THR HN 64 VAL HA 3.50 (# 2258:20 Preassigned 6.63, 7.28 A)
&rst
ixpk= 2258, nxpk= 20, iat= 734, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ILE HA 65 SER HA 3.50 (# 2259:20 Preassigned 2.27, 2.60 A)
&rst
ixpk= 2259, nxpk= 20, iat=1114, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL MGX 49 GLU HG+ 3.50 (# 2260:20 Unique 2.00, 4.57 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 693, 694, 695, 697, 698, 699,
igr2= 755, 756,
&end
#
# 44 VAL MGY 49 GLU HG+ 3.50 (# 2261:20 Unique 2.00, 4.57 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 693, 694, 695, 697, 698, 699,
igr2= 755, 756,
&end
#
# 0 AMB 10-2:0 89 SER HN 3.60 (# 0:10 Single Ambig)
&rst
ixpk= 0, nxpk= 10, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1381,1382,1381,1382,
&end
#
# 89 SER HA 89 SER HN 3.60 (# 1:10 Unique 2.76, 2.89 A)
&rst
ixpk= 1, nxpk= 10, iat=1379,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 88 ALA HA 89 SER HN 2.90 (# 2:10 Unique 2.15, 2.35 A)
&rst
ixpk= 2, nxpk= 10, iat=1369,1377, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 87 ILE QG2 89 SER HN 5.60 (# 3:10 Unique 2.38, 4.36 A)
&rst
ixpk= 3, nxpk= 10, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1354,1355,1356,
&end
#
# 88 ALA MB 89 SER HN 3.60 (# 4:10 Preassigned 3.56, 4.34 A)
&rst
ixpk= 4, nxpk= 10, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1371,1372,1373,
&end
#
# 86 GLU HN 87 ILE HN 4.60 (# 10:10 Preassigned 4.58, 4.63 A)
&rst
ixpk= 10, nxpk= 10, iat=1333,1348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 10 TRP HD1 87 ILE HN 5.60 (# 11:10 Unique 2.51, 6.07 A)
&rst
ixpk= 11, nxpk= 10, iat= 152,1348, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 TRP HA 87 ILE HN 3.60 (# 12:10 Unique 3.18, 3.58 A)
&rst
ixpk= 12, nxpk= 10, iat= 146,1348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 87 ILE HA 87 ILE HN 2.90 (# 13:10 Unique 2.76, 2.79 A)
&rst
ixpk= 13, nxpk= 10, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 86 GLU HA 87 ILE HN 2.90 (# 14:10 Unique 2.29, 2.43 A)
&rst
ixpk= 14, nxpk= 10, iat=1335,1348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 87 ILE HB 87 ILE HN 3.60 (# 15:10 Unique 2.55, 2.61 A)
&rst
ixpk= 15, nxpk= 10, iat=1352,1348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 86 GLU HG+ 87 ILE HN 2.90 (# 16:10 Unique 1.95, 2.41 A)
&rst
ixpk= 16, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1340,1341,
&end
#
# 87 ILE HG1- 87 ILE HN 3.60 (# 17:10 Unique 1.95, 2.71 A)
&rst
ixpk= 17, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1358,1359,
&end
#
# 87 ILE HG1+ 87 ILE HN 2.90 (# 18:10 Unique 1.95, 2.71 A)
&rst
ixpk= 18, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1358,1359,
&end
#
# 87 ILE QD1 87 ILE HN 4.60 (# 19:10 Unique 2.23, 4.04 A)
&rst
ixpk= 19, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1361,1362,1363,
&end
#
# 87 ILE QG2 87 ILE HN 4.60 (# 20:10 Preassigned 4.38, 4.53 A)
&rst
ixpk= 20, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1354,1355,1356,
&end
#
# 10 TRP HE1 86 GLU HN 5.60 (# 21:10 Unique 2.65, 7.45 A)
&rst
ixpk= 21, nxpk= 10, iat= 154,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 87 ILE HN 86 GLU HN 5.60 (# 22:10 Unique 4.58, 4.63 A)
&rst
ixpk= 22, nxpk= 10, iat=1348,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 TRP HD1 86 GLU HN 5.60 (# 23:10 Unique 3.65, 7.04 A)
&rst
ixpk= 23, nxpk= 10, iat= 152,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 85 PRO HA 86 GLU HN 3.60 (# 24:10 Unique 2.23, 2.34 A)
&rst
ixpk= 24, nxpk= 10, iat=1329,1333, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 86 GLU HA 86 GLU HN 2.90 (# 25:10 Unique 2.76, 2.77 A)
&rst
ixpk= 25, nxpk= 10, iat=1335,1333, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 85 PRO HB+ 86 GLU HN 3.60 (# 26:10 Unique 2.17, 3.18 A)
&rst
ixpk= 26, nxpk= 10, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1326,1327,
&end
#
# 85 PRO HB- 86 GLU HN 3.60 (# 27:10 Unique 2.17, 3.18 A)
&rst
ixpk= 27, nxpk= 10, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1326,1327,
&end
#
# 86 GLU HB- 86 GLU HN 2.90 (# 28:10 Unique 2.14, 2.56 A)
&rst
ixpk= 28, nxpk= 10, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1337,1338,
&end
#
# 86 GLU HB+ 86 GLU HN 2.90 (# 29:10 Unique 2.14, 2.56 A)
&rst
ixpk= 29, nxpk= 10, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1337,1338,
&end
#
# 83 GLU HN 84 ILE HN 4.60 (# 30:10 Preassigned 4.52, 4.57 A)
&rst
ixpk= 30, nxpk= 10, iat=1285,1300, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:31 0 AMB 10-1:31 3.60 (# 31:10 Double Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1302, 729, 730,
igr2=1300, 967,
&end
#
# 83 GLU HA 84 ILE HN 2.90 (# 32:10 Unique 2.15, 2.18 A)
&rst
ixpk= 32, nxpk= 10, iat=1287,1300, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 84 ILE HB 84 ILE HN 2.90 (# 33:10 Unique 2.65, 2.74 A)
&rst
ixpk= 33, nxpk= 10, iat=1304,1300, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:34 84 ILE HN 3.60 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1289,1290,1289,1290,
&end
#
# 0 AMB 10-2:35 0 AMB 10-1:35 2.90 (# 35:10 Double Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 949, 950,1310,1311,
igr2= 967,1300,
&end
#
# 0 AMB 10-2:36 0 AMB 10-1:36 4.60 (# 36:10 Double Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1306,1307,1308, 740, 741, 742,
igr2=1300, 967,
&end
#
# 0 AMB 10-2:37 63 ALA HN 3.60 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
&end
#
# 84 ILE QD1 84 ILE HN 3.60 (# 38:10 Preassigned 3.83, 4.56 A)
&rst
ixpk= 38, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1313,1314,1315,
&end
#
# 84 ILE HN 83 GLU HN 4.60 (# 40:10 Preassigned 4.52, 4.57 A)
&rst
ixpk= 40, nxpk= 10, iat=1300,1285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 ARG HN 83 GLU HN 4.60 (# 41:10 Unique 4.19, 4.34 A)
&rst
ixpk= 41, nxpk= 10, iat=1261,1285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 83 GLU HA 83 GLU HN 2.90 (# 42:10 Unique 2.76, 2.84 A)
&rst
ixpk= 42, nxpk= 10, iat=1287,1285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 82 ARG HA 83 GLU HN 3.60 (# 43:10 Unique 2.23, 2.30 A)
&rst
ixpk= 43, nxpk= 10, iat=1263,1285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 83 GLU HG+ 83 GLU HN 4.60 (# 44:10 Unique 4.04, 4.36 A)
&rst
ixpk= 44, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1292,1293,
&end
#
# 83 GLU HG- 83 GLU HN 4.60 (# 45:10 Unique 4.04, 4.36 A)
&rst
ixpk= 45, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1292,1293,
&end
#
# 0 AMB 10-2:46 83 GLU HN 2.90 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1289,1290,1289,1290,
&end
#
# 0 AMB 10-2:47 83 GLU HN 3.60 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1289,1290,1265,1266,
&end
#
# 0 AMB 10-2:48 83 GLU HN 3.60 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1268,1269,1268,1269,
&end
#
# 78 ILE QD1 83 GLU HN 5.60 (# 49:10 Unique 3.86, 4.73 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,1215,
&end
#
# 81 ASN HN 82 ARG HN 3.60 (# 50:10 Unique 2.63, 2.76 A)
&rst
ixpk= 50, nxpk= 10, iat=1247,1261, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 79 VAL HN 82 ARG HN 2.90 (# 51:10 Unique 2.90, 3.19 A)
&rst
ixpk= 51, nxpk= 10, iat=1219,1261, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 82 ARG HA 82 ARG HN 2.90 (# 52:10 Unique 2.81, 2.88 A)
&rst
ixpk= 52, nxpk= 10, iat=1263,1261, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 81 ASN HA 82 ARG HN 3.60 (# 53:10 Unique 2.48, 2.70 A)
&rst
ixpk= 53, nxpk= 10, iat=1249,1261, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:54 82 ARG HN 2.90 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1265,1266,1265,1266,
&end
#
# 82 ARG HB- 82 ARG HN 2.90 (# 55:10 Unique 2.62, 3.47 A)
&rst
ixpk= 55, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1265,1266,
&end
#
# 82 ARG HG- 82 ARG HN 3.60 (# 56:10 Preassigned 2.80, 3.69 A)
&rst
ixpk= 56, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1268,1269,
&end
#
# 82 ARG HG+ 82 ARG HN 3.60 (# 57:10 Preassigned 2.80, 3.69 A)
&rst
ixpk= 57, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1268,1269,
&end
#
# 78 ILE QG2 82 ARG HN 2.90 (# 58:10 Unique 1.96, 3.04 A)
&rst
ixpk= 58, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1206,1207,1208,
&end
#
# 0 AMB 10-2:59 82 ARG HN 4.60 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
&end
#
# 80 ASP HN 81 ASN HN 2.90 (# 61:10 Unique 2.60, 2.72 A)
&rst
ixpk= 61, nxpk= 10, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 79 VAL HN 81 ASN HN 5.60 (# 62:10 Unique 4.22, 4.37 A)
&rst
ixpk= 62, nxpk= 10, iat=1219,1247, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 82 ARG HN 81 ASN HN 2.90 (# 63:10 Unique 2.63, 2.76 A)
&rst
ixpk= 63, nxpk= 10, iat=1261,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 80 ASP HA 81 ASN HN 3.60 (# 64:10 Unique 2.82, 2.90 A)
&rst
ixpk= 64, nxpk= 10, iat=1237,1247, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 79 VAL HA 81 ASN HN 3.60 (# 65:10 Unique 3.36, 3.55 A)
&rst
ixpk= 65, nxpk= 10, iat=1221,1247, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 81 ASN HA 81 ASN HN 2.90 (# 66:10 Unique 2.27, 2.27 A)
&rst
ixpk= 66, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 81 ASN HB+ 81 ASN HN 3.60 (# 67:10 Unique 3.08, 3.70 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1251,1252,
&end
#
# 81 ASN HB- 81 ASN HN 3.60 (# 68:10 Unique 3.08, 3.70 A)
&rst
ixpk= 68, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:69 81 ASN HN 5.60 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 886, 887,1239,1240,
&end
#
# 78 ILE QG2 81 ASN HN 3.60 (# 70:10 Unique 2.53, 3.77 A)
&rst
ixpk= 70, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1206,1207,1208,
&end
#
# 81 ASN HN 80 ASP HN 2.90 (# 71:10 Unique 2.60, 2.72 A)
&rst
ixpk= 71, nxpk= 10, iat=1247,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:72 80 ASP HN 5.60 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 875,1219,
&end
#
# 59 CYS HA 80 ASP HN 4.60 (# 73:10 Unique 3.11, 3.73 A)
&rst
ixpk= 73, nxpk= 10, iat= 896,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 80 ASP HA 80 ASP HN 2.90 (# 74:10 Unique 2.27, 2.28 A)
&rst
ixpk= 74, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 79 VAL HA 80 ASP HN 2.90 (# 75:10 Unique 2.14, 2.18 A)
&rst
ixpk= 75, nxpk= 10, iat=1221,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 80 ASP HB+ 80 ASP HN 3.60 (# 76:10 Unique 2.96, 3.44 A)
&rst
ixpk= 76, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1239,1240,
&end
#
# 0 AMB 10-2:77 80 ASP HN 3.60 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 886, 887,1239,1240,
&end
#
# 79 VAL MGY 80 ASP HN 2.90 (# 78:10 Unique 2.01, 4.17 A)
&rst
ixpk= 78, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL MGX 80 ASP HN 3.60 (# 79:10 Unique 2.01, 4.17 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 80 ASP HN 79 VAL HN 5.60 (# 80:10 Unique 4.32, 4.43 A)
&rst
ixpk= 80, nxpk= 10, iat=1235,1219, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:81 79 VAL HN 3.60 (# 81:10 Single Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1300,1247, 905,
&end
#
# 82 ARG HN 79 VAL HN 2.90 (# 82:10 Unique 2.90, 3.19 A)
&rst
ixpk= 82, nxpk= 10, iat=1261,1219, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 83 GLU HA 79 VAL HN 4.60 (# 83:10 Unique 3.97, 4.41 A)
&rst
ixpk= 83, nxpk= 10, iat=1287,1219, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 ILE HA 79 VAL HN 2.90 (# 84:10 Unique 2.14, 2.17 A)
&rst
ixpk= 84, nxpk= 10, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 79 VAL HA 79 VAL HN 3.60 (# 85:10 Unique 2.94, 2.95 A)
&rst
ixpk= 85, nxpk= 10, iat=1221,1219, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:86 79 VAL HN 2.90 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1223,1268,1269,
&end
#
# 78 ILE HG1- 79 VAL HN 4.60 (# 87:10 Preassigned 5.17, 5.42 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1210,1211,
&end
#
# 79 VAL MGY 79 VAL HN 2.90 (# 88:10 Preassigned 1.95, 3.98 A)
&rst
ixpk= 88, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 84 ILE HG1+ 79 VAL HN 4.60 (# 89:10 Unique 1.94, 2.42 A)
&rst
ixpk= 89, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1310,1311,
&end
#
# 79 VAL MGX 79 VAL HN 2.90 (# 90:10 Unique 1.95, 3.98 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 0 AMB 10-2:91 79 VAL HN 3.60 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1206,1207,1208,1204,
&end
#
# 60 TYR HN 78 ILE HN 4.60 (# 92:10 Unique 2.63, 2.96 A)
&rst
ixpk= 92, nxpk= 10, iat= 905,1200, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 77 LEU HN 78 ILE HN 5.60 (# 94:10 Unique 4.36, 4.47 A)
&rst
ixpk= 94, nxpk= 10, iat=1181,1200, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:95 0 AMB 10-1:95 3.60 (# 95:10 Double Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 489, 928,
igr2= 587,1200,
&end
#
# 78 ILE HA 78 ILE HN 3.60 (# 96:10 Unique 2.94, 2.95 A)
&rst
ixpk= 96, nxpk= 10, iat=1202,1200, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 77 LEU HA 78 ILE HN 2.90 (# 97:10 Unique 2.14, 2.15 A)
&rst
ixpk= 97, nxpk= 10, iat=1183,1200, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 78 ILE HG1- 78 ILE HN 4.60 (# 98:10 Unique 2.41, 3.39 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1210,1211,
&end
#
# 77 LEU HB+ 78 ILE HN 4.60 (# 100:10 Unique 3.86, 4.23 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:101 0 AMB 10-1:101 3.60 (# 101:10 Double Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 596, 597, 598, 600, 601, 602,1213,1214,1215,
igr2= 587,1200,
&end
#
# 78 ILE HB 78 ILE HN 2.90 (# 102:10 Unique 2.56, 2.61 A)
&rst
ixpk= 102, nxpk= 10, iat=1204,1200, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 36 LYS HB- 37 LEU HN 3.60 (# 103:10 Unique 2.39, 3.80 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 569, 570,
&end
#
# 77 LEU MDX 78 ILE HN 3.60 (# 104:10 Unique 2.19, 4.59 A)
&rst
ixpk= 104, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 10-2:105 0 AMB 10-1:105 3.60 (# 105:10 Double Ambig)
&rst
ixpk= 105, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 572, 573,1190,1191,1192,1194,1195,1196,
igr2= 587,1200,
&end
#
# 77 LEU HB- 78 ILE HN 4.60 (# 106:10 Unique 3.86, 4.23 A)
&rst
ixpk= 106, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1185,1186,
&end
#
# 36 LYS HA 37 LEU HN 2.90 (# 107:10 Unique 2.14, 2.24 A)
&rst
ixpk= 107, nxpk= 10, iat= 567, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 10 TRP HE1 77 LEU HN 3.60 (# 108:10 Unique 3.84, 7.53 A)
&rst
ixpk= 108, nxpk= 10, iat= 154,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 TRP HZ2 77 LEU HN 3.60 (# 109:10 Unique 3.01, 7.80 A)
&rst
ixpk= 109, nxpk= 10, iat= 157,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 76 THR HA 77 LEU HN 2.90 (# 110:10 Unique 2.15, 2.18 A)
&rst
ixpk= 110, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 77 LEU HA 77 LEU HN 3.60 (# 111:10 Unique 2.88, 2.88 A)
&rst
ixpk= 111, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:112 77 LEU HN 4.60 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1171,1320,1321,
&end
#
# 76 THR MG2 77 LEU HN 2.90 (# 113:10 Unique 2.37, 3.28 A)
&rst
ixpk= 113, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1173,1174,1175,
&end
#
# 77 LEU HB+ 77 LEU HN 3.60 (# 114:10 Unique 2.26, 2.56 A)
&rst
ixpk= 114, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:115 77 LEU HN 4.60 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1188, 936, 937,1210,1211, 939, 940, 941,
&end
#
# 77 LEU MDX 77 LEU HN 5.60 (# 116:10 Unique 4.23, 5.21 A)
&rst
ixpk= 116, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU MDY 77 LEU HN 4.60 (# 117:10 Unique 4.23, 5.21 A)
&rst
ixpk= 117, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HB- 77 LEU HN 2.90 (# 118:10 Unique 2.26, 2.56 A)
&rst
ixpk= 118, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1185,1186,
&end
#
# 62 LYS HN 76 THR HN 3.60 (# 119:10 Unique 2.53, 2.99 A)
&rst
ixpk= 119, nxpk= 10, iat= 945,1167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:120 76 THR HN 5.60 (# 120:10 Single Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1150,1131,
&end
#
# 77 LEU HN 76 THR HN 5.60 (# 121:10 Unique 4.41, 4.47 A)
&rst
ixpk= 121, nxpk= 10, iat=1181,1167, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 75 HIS HA 76 THR HN 2.90 (# 122:10 Unique 2.14, 2.16 A)
&rst
ixpk= 122, nxpk= 10, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 63 ALA HA 76 THR HN 3.60 (# 123:10 Preassigned 3.43, 3.76 A)
&rst
ixpk= 123, nxpk= 10, iat= 969,1167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 76 THR HA 76 THR HN 2.90 (# 124:10 Unique 2.91, 2.94 A)
&rst
ixpk= 124, nxpk= 10, iat=1169,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 76 THR HB 76 THR HN 2.90 (# 125:10 Unique 2.49, 2.55 A)
&rst
ixpk= 125, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 75 HIS HB+ 76 THR HN 4.60 (# 126:10 Unique 3.59, 4.08 A)
&rst
ixpk= 126, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1154,1155,
&end
#
# 75 HIS HB- 76 THR HN 3.60 (# 127:10 Preassigned 3.59, 4.08 A)
&rst
ixpk= 127, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1154,1155,
&end
#
# 62 LYS HB+ 76 THR HN 5.60 (# 128:10 Unique 3.17, 4.92 A)
&rst
ixpk= 128, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 949, 950,
&end
#
# 76 THR MG2 76 THR HN 4.60 (# 129:10 Preassigned 4.36, 4.61 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1173,1174,1175,
&end
#
# 0 AMB 10-2:130 76 THR HN 2.90 (# 130:10 Single Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
&end
#
# 75 HIS HA 75 HIS HN 4.60 (# 131:10 Unique 2.76, 2.77 A)
&rst
ixpk= 131, nxpk= 10, iat=1152,1150, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 HIS HB+ 75 HIS HN 3.60 (# 132:10 Unique 2.28, 3.02 A)
&rst
ixpk= 132, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1154,1155,
&end
#
# 74 ILE HA 75 HIS HN 3.60 (# 133:10 Unique 2.15, 2.28 A)
&rst
ixpk= 133, nxpk= 10, iat=1133,1150, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 75 HIS HB- 75 HIS HN 3.60 (# 134:10 Unique 2.28, 3.02 A)
&rst
ixpk= 134, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1154,1155,
&end
#
# 74 ILE HB 75 HIS HN 4.60 (# 135:10 Preassigned 4.29, 4.42 A)
&rst
ixpk= 135, nxpk= 10, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 ILE HG1+ 75 HIS HN 5.60 (# 136:10 Unique 5.11, 5.52 A)
&rst
ixpk= 136, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1141,1142,
&end
#
# 74 ILE QG2 75 HIS HN 3.60 (# 137:10 Unique 2.93, 4.43 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1137,1138,1139,
&end
#
# 73 ILE HN 74 ILE HN 5.60 (# 138:10 Unique 4.44, 4.58 A)
&rst
ixpk= 138, nxpk= 10, iat=1112,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 65 SER HA 74 ILE HN 5.60 (# 139:10 Unique 3.05, 3.92 A)
&rst
ixpk= 139, nxpk= 10, iat= 995,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:140 74 ILE HN 2.90 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1114,1133,
&end
#
# 74 ILE HB 74 ILE HN 3.60 (# 141:10 Unique 2.61, 2.74 A)
&rst
ixpk= 141, nxpk= 10, iat=1135,1131, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 73 ILE HB 74 ILE HN 4.60 (# 142:10 Preassigned 3.83, 4.03 A)
&rst
ixpk= 142, nxpk= 10, iat=1116,1131, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 ILE HG1- 74 ILE HN 3.60 (# 143:10 Unique 2.43, 3.43 A)
&rst
ixpk= 143, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1141,1142,
&end
#
# 74 ILE HG1+ 74 ILE HN 3.60 (# 144:10 Unique 2.43, 3.43 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1141,1142,
&end
#
# 74 ILE QG2 74 ILE HN 4.60 (# 145:10 Preassigned 4.43, 4.70 A)
&rst
ixpk= 145, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1137,1138,1139,
&end
#
# 74 ILE QD1 74 ILE HN 3.60 (# 146:10 Unique 3.65, 4.49 A)
&rst
ixpk= 146, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1144,1145,1146,
&end
#
# 73 ILE QG2 74 ILE HN 2.90 (# 147:10 Unique 2.23, 3.18 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1118,1119,1120,
&end
#
# 74 ILE HN 73 ILE HN 5.60 (# 148:10 Preassigned 4.44, 4.58 A)
&rst
ixpk= 148, nxpk= 10, iat=1131,1112, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 72 GLY HA+ 73 ILE HN 2.90 (# 149:10 Unique 2.29, 3.11 A)
&rst
ixpk= 149, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1107,1108,
&end
#
# 0 AMB 10-2:150 73 ILE HN 2.90 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1114,1133,
&end
#
# 72 GLY HA- 73 ILE HN 2.90 (# 151:10 Unique 2.29, 3.11 A)
&rst
ixpk= 151, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1107,1108,
&end
#
# 73 ILE HB 73 ILE HN 2.90 (# 152:10 Unique 2.50, 2.54 A)
&rst
ixpk= 152, nxpk= 10, iat=1116,1112, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 73 ILE HG1- 73 ILE HN 3.60 (# 153:10 Unique 2.04, 2.91 A)
&rst
ixpk= 153, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1122,1123,
&end
#
# 73 ILE HG1+ 73 ILE HN 3.60 (# 154:10 Unique 2.04, 2.91 A)
&rst
ixpk= 154, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1122,1123,
&end
#
# 73 ILE QD1 73 ILE HN 3.60 (# 155:10 Unique 3.30, 4.13 A)
&rst
ixpk= 155, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1125,1126,1127,
&end
#
# 73 ILE QG2 73 ILE HN 4.60 (# 156:10 Unique 4.39, 4.54 A)
&rst
ixpk= 156, nxpk= 10, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1118,1119,1120,
&end
#
# 73 ILE HN 72 GLY HN 4.60 (# 157:10 Unique 1.99, 2.80 A)
&rst
ixpk= 157, nxpk= 10, iat=1112,1105, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 72 GLY HA+ 72 GLY HN 2.90 (# 158:10 Unique 2.29, 2.69 A)
&rst
ixpk= 158, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1107,1108,
&end
#
# 71 GLU HA 72 GLY HN 3.60 (# 159:10 Unique 2.14, 2.64 A)
&rst
ixpk= 159, nxpk= 10, iat=1092,1105, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 72 GLY HA- 72 GLY HN 2.90 (# 160:10 Unique 2.29, 2.69 A)
&rst
ixpk= 160, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1107,1108,
&end
#
# 71 GLU HB- 72 GLY HN 4.60 (# 161:10 Unique 2.09, 4.07 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1094,1095,
&end
#
# 71 GLU HA 71 GLU HN 3.60 (# 162:10 Unique 2.28, 2.81 A)
&rst
ixpk= 162, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 70 LYS HA 71 GLU HN 3.60 (# 163:10 Unique 2.14, 2.98 A)
&rst
ixpk= 163, nxpk= 10, iat=1070,1090, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:164 71 GLU HN 3.60 (# 164:10 Single Ambig)
&rst
ixpk= 164, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1097,1098,1097,1098,
&end
#
# 71 GLU HB+ 71 GLU HN 3.60 (# 165:10 Unique 2.14, 2.95 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1094,1095,
&end
#
# 71 GLU HB- 71 GLU HN 3.60 (# 166:10 Unique 2.14, 2.95 A)
&rst
ixpk= 166, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1094,1095,
&end
#
# 0 AMB 10-2:167 71 GLU HN 4.60 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1078,1079,1078,1079,
&end
#
# 0 AMB 10-2:168 71 GLU HN 3.60 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1072,1073,1072,1073,
&end
#
# 0 AMB 10-2:169 71 GLU HN 5.60 (# 169:10 Single Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1075,1076,1075,1076,
&end
#
# 56 ASN HN 57 HIS HN 3.60 (# 170:10 Unique 1.90, 2.48 A)
&rst
ixpk= 170, nxpk= 10, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 58 ASP HN 57 HIS HN 4.60 (# 171:10 Preassigned 4.25, 4.41 A)
&rst
ixpk= 171, nxpk= 10, iat= 882, 865, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 ILE HN 57 HIS HN 3.60 (# 172:10 Unique 3.26, 3.93 A)
&rst
ixpk= 172, nxpk= 10, iat= 825, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 57 HIS HD2 57 HIS HN 3.60 (# 174:10 Unique 2.90, 4.79 A)
&rst
ixpk= 174, nxpk= 10, iat= 878, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 66 SER HB+ 66 SER HN 3.60 (# 175:10 Preassigned 2.14, 2.96 A)
&rst
ixpk= 175, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1008,1009,
&end
#
# 66 SER HB- 66 SER HN 4.60 (# 176:10 Unique 2.14, 2.96 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1008,1009,
&end
#
# 57 HIS HB+ 57 HIS HN 2.90 (# 177:10 Unique 2.19, 3.15 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 869, 870,
&end
#
# 57 HIS HB- 57 HIS HN 2.90 (# 178:10 Unique 2.19, 3.15 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 869, 870,
&end
#
# 65 SER HA 66 SER HN 2.90 (# 179:10 Unique 2.14, 2.50 A)
&rst
ixpk= 179, nxpk= 10, iat= 995,1004, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 64 VAL HN 65 SER HN 4.60 (# 180:10 Unique 4.17, 4.36 A)
&rst
ixpk= 180, nxpk= 10, iat= 977, 993, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:181 65 SER HN 4.60 (# 181:10 Single Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1114,1046,
&end
#
# 65 SER HA 65 SER HN 2.90 (# 182:10 Unique 2.77, 2.86 A)
&rst
ixpk= 182, nxpk= 10, iat= 995, 993, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 64 VAL HA 65 SER HN 2.90 (# 183:10 Unique 2.14, 2.15 A)
&rst
ixpk= 183, nxpk= 10, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 65 SER HB- 65 SER HN 3.60 (# 184:10 Unique 2.26, 3.05 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 997, 998,
&end
#
# 65 SER HB+ 65 SER HN 2.90 (# 185:10 Unique 2.26, 3.05 A)
&rst
ixpk= 185, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 997, 998,
&end
#
# 64 VAL HB 65 SER HN 4.60 (# 186:10 Unique 3.89, 4.23 A)
&rst
ixpk= 186, nxpk= 10, iat= 981, 993, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 VAL MGX 65 SER HN 2.90 (# 187:10 Unique 2.02, 4.38 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 63 ALA HN 64 VAL HN 4.60 (# 188:10 Unique 4.13, 4.26 A)
&rst
ixpk= 188, nxpk= 10, iat= 967, 977, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 HIS HA 64 VAL HN 5.60 (# 189:10 Unique 3.42, 3.74 A)
&rst
ixpk= 189, nxpk= 10, iat=1152, 977, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 63 ALA HA 64 VAL HN 2.90 (# 190:10 Unique 2.14, 2.16 A)
&rst
ixpk= 190, nxpk= 10, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 64 VAL HA 64 VAL HN 3.60 (# 191:10 Unique 2.92, 2.93 A)
&rst
ixpk= 191, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 64 VAL HB 64 VAL HN 2.90 (# 192:10 Unique 2.52, 2.60 A)
&rst
ixpk= 192, nxpk= 10, iat= 981, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:193 64 VAL HN 4.60 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1135, 955, 956,
&end
#
# 64 VAL MGX 64 VAL HN 2.90 (# 194:10 Unique 2.27, 3.98 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 73 ILE QG2 64 VAL HN 3.60 (# 195:10 Unique 2.60, 3.80 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1118,1119,1120,
&end
#
# 62 LYS HN 63 ALA HN 5.60 (# 196:10 Unique 4.39, 4.47 A)
&rst
ixpk= 196, nxpk= 10, iat= 945, 967, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 48 THR HN 63 ALA HN 3.60 (# 197:10 Unique 3.80, 3.95 A)
&rst
ixpk= 197, nxpk= 10, iat= 734, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 LYS HA 63 ALA HN 2.90 (# 198:10 Unique 2.16, 2.23 A)
&rst
ixpk= 198, nxpk= 10, iat= 947, 967, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 63 ALA HA 63 ALA HN 2.90 (# 199:10 Unique 2.90, 2.93 A)
&rst
ixpk= 199, nxpk= 10, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 49 GLU HA 63 ALA HN 4.60 (# 200:10 Preassigned 3.95, 4.78 A)
&rst
ixpk= 200, nxpk= 10, iat= 750, 967, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 ALA MB 63 ALA HN 2.90 (# 201:10 Unique 2.19, 3.01 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 971, 972, 973,
&end
#
# 0 AMB 10-2:202 63 ALA HN 3.60 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 952, 953, 952, 953,
&end
#
# 0 AMB 10-2:203 63 ALA HN 4.60 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1118,1119,1120,1213,1214,1215,
&end
#
# 83 GLU HG+ 84 ILE HN 3.60 (# 205:10 Unique 2.08, 3.13 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1292,1293,
&end
#
# 62 LYS HA 62 LYS HN 2.90 (# 206:10 Unique 2.91, 2.94 A)
&rst
ixpk= 206, nxpk= 10, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 61 ILE HA 62 LYS HN 2.90 (# 207:10 Unique 2.14, 2.18 A)
&rst
ixpk= 207, nxpk= 10, iat= 928, 945, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 62 LYS HB+ 62 LYS HN 3.60 (# 208:10 Unique 2.44, 3.23 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 949, 950,
&end
#
# 0 AMB 10-2:209 62 LYS HN 5.60 (# 209:10 Single Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 952, 953, 952, 953,
&end
#
# 62 LYS HB- 62 LYS HN 4.60 (# 210:10 Unique 2.44, 3.23 A)
&rst
ixpk= 210, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 949, 950,
&end
#
# 61 ILE QG2 62 LYS HN 3.60 (# 211:10 Unique 2.03, 3.40 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 932, 933, 934,
&end
#
# 50 THR HN 61 ILE HN 3.60 (# 212:10 Unique 2.16, 2.69 A)
&rst
ixpk= 212, nxpk= 10, iat= 763, 926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 52 PHE HE 61 ILE HN 3.60 (# 213:10 Unique 2.30, 6.47 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 804, 808,
&end
#
# 60 TYR HD 61 ILE HN 5.60 (# 214:10 Unique 2.55, 4.31 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 913, 922,
&end
#
# 51 HIS HA 61 ILE HN 4.60 (# 215:10 Preassigned 4.30, 5.09 A)
&rst
ixpk= 215, nxpk= 10, iat= 779, 926, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 TYR HA 61 ILE HN 2.90 (# 216:10 Unique 2.16, 2.35 A)
&rst
ixpk= 216, nxpk= 10, iat= 907, 926, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 50 THR HB 61 ILE HN 3.60 (# 217:10 Unique 1.95, 3.07 A)
&rst
ixpk= 217, nxpk= 10, iat= 767, 926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 60 TYR HB+ 61 ILE HN 4.60 (# 218:10 Preassigned 2.10, 3.36 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 909, 910,
&end
#
# 60 TYR HB- 61 ILE HN 2.90 (# 219:10 Unique 2.10, 3.36 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 909, 910,
&end
#
# 0 AMB 10-2:220 61 ILE HN 3.60 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 936, 937, 752, 753,
&end
#
# 61 ILE HB 61 ILE HN 2.90 (# 221:10 Unique 2.46, 2.67 A)
&rst
ixpk= 221, nxpk= 10, iat= 930, 926, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 61 ILE QG2 61 ILE HN 4.60 (# 222:10 Unique 4.36, 4.66 A)
&rst
ixpk= 222, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 932, 933, 934,
&end
#
# 0 AMB 10-2:223 61 ILE HN 3.60 (# 223:10 Single Ambig)
&rst
ixpk= 223, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 939, 940, 941, 936, 937,
&end
#
# 78 ILE HN 60 TYR HN 4.60 (# 224:10 Unique 2.63, 2.96 A)
&rst
ixpk= 224, nxpk= 10, iat=1200, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 ILE HN 60 TYR HN 4.60 (# 225:10 Unique 4.06, 4.29 A)
&rst
ixpk= 225, nxpk= 10, iat= 926, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 CYS HN 60 TYR HN 4.60 (# 226:10 Unique 4.36, 4.45 A)
&rst
ixpk= 226, nxpk= 10, iat= 894, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 TYR HE 60 TYR HN 5.60 (# 227:10 Unique 4.67, 6.31 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 915, 920,
&end
#
# 60 TYR HD 60 TYR HN 3.60 (# 228:10 Unique 3.06, 4.50 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 913, 922,
&end
#
# 59 CYS HA 60 TYR HN 2.90 (# 229:10 Unique 2.25, 2.37 A)
&rst
ixpk= 229, nxpk= 10, iat= 896, 905, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 60 TYR HA 60 TYR HN 3.60 (# 230:10 Unique 2.80, 2.86 A)
&rst
ixpk= 230, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 79 VAL HA 60 TYR HN 4.60 (# 231:10 Unique 3.70, 3.90 A)
&rst
ixpk= 231, nxpk= 10, iat=1221, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 CYS HB+ 60 TYR HN 2.90 (# 232:10 Preassigned 2.24, 3.21 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 898, 899,
&end
#
# 59 CYS HB- 60 TYR HN 3.60 (# 233:10 Unique 2.24, 3.21 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 898, 899,
&end
#
# 0 AMB 10-2:234 60 TYR HN 4.60 (# 234:10 Single Ambig)
&rst
ixpk= 234, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1188, 936, 937,1210,1211, 939, 940, 941,
&end
#
# 79 VAL MGX 60 TYR HN 4.60 (# 235:10 Unique 2.94, 5.53 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 78 ILE HB 60 TYR HN 4.60 (# 236:10 Unique 2.80, 3.46 A)
&rst
ixpk= 236, nxpk= 10, iat=1204, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 77 LEU MDX 60 TYR HN 3.60 (# 237:10 Unique 2.39, 5.10 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 10-2:238 59 CYS HN 4.60 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 905,1247,
&end
#
# 52 PHE HN 59 CYS HN 4.60 (# 239:10 Unique 3.87, 4.54 A)
&rst
ixpk= 239, nxpk= 10, iat= 794, 894, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 ILE HN 59 CYS HN 5.60 (# 240:10 Unique 3.71, 4.45 A)
&rst
ixpk= 240, nxpk= 10, iat= 825, 894, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 59 CYS HA 59 CYS HN 3.60 (# 241:10 Unique 2.90, 2.93 A)
&rst
ixpk= 241, nxpk= 10, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 58 ASP HB+ 59 CYS HN 3.60 (# 242:10 Preassigned 2.54, 3.77 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 886, 887,
&end
#
# 59 CYS HB+ 59 CYS HN 3.60 (# 243:10 Preassigned 2.66, 3.25 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 898, 899,
&end
#
# 0 AMB 10-2:244 0 AMB 10-1:244 3.60 (# 244:10 Double Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 405, 406, 898, 899,
igr2= 398, 894,
&end
#
# 59 CYS HG 59 CYS HN 3.60 (# 245:10 Preassigned 2.86, 4.20 A)
&rst
ixpk= 245, nxpk= 10, iat= 901, 894, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 80 ASP HN 58 ASP HN 4.60 (# 246:10 Unique 3.46, 3.79 A)
&rst
ixpk= 246, nxpk= 10, iat=1235, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 HIS HN 58 ASP HN 5.60 (# 247:10 Unique 4.25, 4.41 A)
&rst
ixpk= 247, nxpk= 10, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 59 CYS HN 58 ASP HN 5.60 (# 248:10 Unique 4.06, 4.40 A)
&rst
ixpk= 248, nxpk= 10, iat= 894, 882, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 57 HIS HA 58 ASP HN 2.90 (# 250:10 Unique 2.19, 2.45 A)
&rst
ixpk= 250, nxpk= 10, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 80 ASP HA 58 ASP HN 4.60 (# 251:10 Unique 3.89, 4.15 A)
&rst
ixpk= 251, nxpk= 10, iat=1237, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 HIS HB+ 58 ASP HN 3.60 (# 252:10 Unique 1.96, 3.15 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 869, 870,
&end
#
# 58 ASP HB+ 58 ASP HN 2.90 (# 253:10 Unique 2.22, 3.05 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 886, 887,
&end
#
# 0 AMB 10-2:254 58 ASP HN 2.90 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 869, 870, 886, 887,
&end
#
# 79 VAL MGY 58 ASP HN 5.60 (# 255:10 Unique 3.26, 6.17 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 57 HIS HN 56 ASN HN 3.60 (# 256:10 Unique 1.90, 2.48 A)
&rst
ixpk= 256, nxpk= 10, iat= 865, 851, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 56 ASN HA 56 ASN HN 2.90 (# 257:10 Unique 2.27, 2.74 A)
&rst
ixpk= 257, nxpk= 10, iat= 853, 851, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 55 GLY HA+ 56 ASN HN 2.90 (# 258:10 Unique 2.14, 2.92 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 846, 847,
&end
#
# 55 GLY HA- 56 ASN HN 3.60 (# 259:10 Unique 2.14, 2.92 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 846, 847,
&end
#
# 56 ASN HB+ 56 ASN HN 3.60 (# 260:10 Unique 2.38, 3.24 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 855, 856,
&end
#
# 56 ASN HB- 56 ASN HN 3.60 (# 261:10 Unique 2.38, 3.24 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 855, 856,
&end
#
# 54 ILE HA 55 GLY HN 3.60 (# 262:10 Unique 2.20, 3.30 A)
&rst
ixpk= 262, nxpk= 10, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 GLY HA+ 55 GLY HN 2.90 (# 263:10 Unique 2.30, 2.76 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 846, 847,
&end
#
# 55 GLY HA- 55 GLY HN 2.90 (# 264:10 Preassigned 2.30, 2.76 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 846, 847,
&end
#
# 54 ILE QG2 55 GLY HN 3.60 (# 265:10 Unique 2.05, 3.56 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 831, 832, 833,
&end
#
# 55 GLY HN 54 ILE HN 4.60 (# 266:10 Unique 1.93, 2.58 A)
&rst
ixpk= 266, nxpk= 10, iat= 844, 825, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 HIS HN 54 ILE HN 3.60 (# 267:10 Unique 3.26, 3.93 A)
&rst
ixpk= 267, nxpk= 10, iat= 865, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 59 CYS HN 54 ILE HN 5.60 (# 268:10 Unique 3.71, 4.45 A)
&rst
ixpk= 268, nxpk= 10, iat= 894, 825, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 53 SER HA 54 ILE HN 2.90 (# 269:10 Unique 2.17, 2.36 A)
&rst
ixpk= 269, nxpk= 10, iat= 816, 825, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 54 ILE HA 54 ILE HN 3.60 (# 270:10 Unique 2.76, 2.90 A)
&rst
ixpk= 270, nxpk= 10, iat= 827, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 53 SER HB+ 54 ILE HN 3.60 (# 271:10 Unique 2.13, 3.12 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 818, 819,
&end
#
# 53 SER HB- 54 ILE HN 3.60 (# 272:10 Unique 2.13, 3.12 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 818, 819,
&end
#
# 57 HIS HB+ 54 ILE HN 4.60 (# 273:10 Unique 2.87, 4.31 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 869, 870,
&end
#
# 57 HIS HB- 54 ILE HN 5.60 (# 274:10 Unique 2.87, 4.31 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 869, 870,
&end
#
# 54 ILE HG1- 54 ILE HN 3.60 (# 275:10 Unique 2.04, 3.85 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 835, 836,
&end
#
# 59 CYS HG 54 ILE HN 3.60 (# 276:10 Unique 1.95, 3.60 A)
&rst
ixpk= 276, nxpk= 10, iat= 901, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 54 ILE HB 54 ILE HN 2.90 (# 277:10 Unique 2.51, 2.68 A)
&rst
ixpk= 277, nxpk= 10, iat= 829, 825, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 54 ILE HG1+ 54 ILE HN 4.60 (# 278:10 Unique 2.04, 3.85 A)
&rst
ixpk= 278, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 835, 836,
&end
#
# 54 ILE QD1 54 ILE HN 4.60 (# 279:10 Preassigned 3.90, 5.11 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 838, 839, 840,
&end
#
# 54 ILE QG2 54 ILE HN 4.60 (# 280:10 Unique 1.96, 3.69 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 831, 832, 833,
&end
#
# 52 PHE HN 53 SER HN 5.60 (# 281:10 Unique 4.31, 4.35 A)
&rst
ixpk= 281, nxpk= 10, iat= 794, 814, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 54 ILE HN 53 SER HN 5.60 (# 282:10 Unique 4.24, 4.36 A)
&rst
ixpk= 282, nxpk= 10, iat= 825, 814, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 53 SER HA 53 SER HN 3.60 (# 283:10 Unique 2.81, 2.90 A)
&rst
ixpk= 283, nxpk= 10, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 52 PHE HD 53 SER HN 2.90 (# 284:10 Unique 2.31, 3.92 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 802, 810,
&end
#
# 52 PHE HA 53 SER HN 3.60 (# 285:10 Unique 2.29, 2.55 A)
&rst
ixpk= 285, nxpk= 10, iat= 796, 814, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 53 SER HB+ 53 SER HN 3.60 (# 286:10 Unique 2.84, 3.64 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 818, 819,
&end
#
# 53 SER HB- 53 SER HN 4.60 (# 287:10 Unique 2.84, 3.64 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 818, 819,
&end
#
# 52 PHE HB+ 53 SER HN 3.60 (# 288:10 Unique 2.07, 3.03 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 798, 799,
&end
#
# 52 PHE HB- 53 SER HN 3.60 (# 289:10 Unique 2.07, 3.03 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 798, 799,
&end
#
# 0 AMB 10-2:290 53 SER HN 5.60 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 591, 592, 591, 592, 898, 899,
&end
#
# 37 LEU MDX 53 SER HN 4.60 (# 291:10 Unique 2.50, 5.24 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU MDY 53 SER HN 5.60 (# 292:10 Unique 2.50, 5.24 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 51 HIS HN 52 PHE HN 5.60 (# 293:10 Unique 3.44, 4.23 A)
&rst
ixpk= 293, nxpk= 10, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 53 SER HN 52 PHE HN 4.60 (# 294:10 Unique 4.31, 4.35 A)
&rst
ixpk= 294, nxpk= 10, iat= 814, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 CYS HN 52 PHE HN 4.60 (# 295:10 Preassigned 3.87, 4.54 A)
&rst
ixpk= 295, nxpk= 10, iat= 894, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:296 52 PHE HN 4.60 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 790, 804, 808,
&end
#
# 52 PHE HD 52 PHE HN 4.60 (# 297:10 Unique 2.30, 4.04 A)
&rst
ixpk= 297, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 802, 810,
&end
#
# 0 AMB 10-2:298 52 PHE HN 5.60 (# 298:10 Single Ambig)
&rst
ixpk= 298, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 816, 623,
&end
#
# 51 HIS HA 52 PHE HN 2.90 (# 299:10 Unique 2.14, 2.16 A)
&rst
ixpk= 299, nxpk= 10, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 52 PHE HB+ 52 PHE HN 3.60 (# 300:10 Preassigned 2.95, 3.66 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 798, 799,
&end
#
# 52 PHE HA 52 PHE HN 2.90 (# 301:10 Unique 2.79, 2.84 A)
&rst
ixpk= 301, nxpk= 10, iat= 796, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:302 52 PHE HN 3.60 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 909, 910, 898, 899,
&end
#
# 40 ALA HN 51 HIS HN 3.60 (# 303:10 Preassigned 2.27, 2.71 A)
&rst
ixpk= 303, nxpk= 10, iat= 635, 777, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:304 51 HIS HN 4.60 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 790, 804, 808,
&end
#
# 51 HIS HA 51 HIS HN 4.60 (# 305:10 Unique 2.91, 2.94 A)
&rst
ixpk= 305, nxpk= 10, iat= 779, 777, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:307 51 HIS HN 5.60 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 647, 648, 796,
&end
#
# 51 HIS HB+ 51 HIS HN 2.90 (# 308:10 Unique 2.18, 2.77 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 781, 782,
&end
#
# 51 HIS HB- 51 HIS HN 2.90 (# 309:10 Unique 2.18, 2.77 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 781, 782,
&end
#
# 40 ALA MB 51 HIS HN 5.60 (# 310:10 Unique 2.22, 4.28 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 639, 640, 641,
&end
#
# 50 THR MG2 51 HIS HN 3.60 (# 311:10 Unique 1.95, 3.22 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 769, 770, 771,
&end
#
# 49 GLU HN 50 THR HN 5.60 (# 312:10 Unique 4.05, 4.29 A)
&rst
ixpk= 312, nxpk= 10, iat= 748, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 61 ILE HN 50 THR HN 3.60 (# 313:10 Unique 2.16, 2.69 A)
&rst
ixpk= 313, nxpk= 10, iat= 926, 763, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 49 GLU HA 50 THR HN 2.90 (# 314:10 Unique 2.14, 2.17 A)
&rst
ixpk= 314, nxpk= 10, iat= 750, 763, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 51 HIS HA 50 THR HN 5.60 (# 315:10 Unique 4.75, 5.08 A)
&rst
ixpk= 315, nxpk= 10, iat= 779, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:316 50 THR HN 5.60 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 907, 736,
&end
#
# 58 ASP HB- 59 CYS HN 4.60 (# 318:10 Unique 2.54, 3.77 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 886, 887,
&end
#
# 50 THR HB 50 THR HN 2.90 (# 319:10 Unique 2.49, 2.69 A)
&rst
ixpk= 319, nxpk= 10, iat= 767, 763, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 49 GLU HB+ 50 THR HN 3.60 (# 320:10 Preassigned 2.71, 3.70 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 752, 753,
&end
#
# 49 GLU HB- 50 THR HN 3.60 (# 321:10 Unique 2.71, 3.70 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 752, 753,
&end
#
# 61 ILE HB 50 THR HN 5.60 (# 322:10 Unique 1.94, 2.42 A)
&rst
ixpk= 322, nxpk= 10, iat= 930, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 50 THR MG2 50 THR HN 4.60 (# 323:10 Preassigned 4.40, 4.64 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 769, 770, 771,
&end
#
# 61 ILE QG2 50 THR HN 5.60 (# 324:10 Unique 3.80, 4.72 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 932, 933, 934,
&end
#
# 48 THR HN 49 GLU HN 4.60 (# 325:10 Preassigned 4.38, 4.45 A)
&rst
ixpk= 325, nxpk= 10, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 GLU HA 49 GLU HN 3.60 (# 326:10 Unique 2.92, 2.94 A)
&rst
ixpk= 326, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 THR HA 49 GLU HN 2.90 (# 327:10 Unique 2.14, 2.15 A)
&rst
ixpk= 327, nxpk= 10, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 48 THR HB 49 GLU HN 3.60 (# 330:10 Unique 3.51, 3.83 A)
&rst
ixpk= 330, nxpk= 10, iat= 738, 748, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 49 GLU HG+ 49 GLU HN 3.60 (# 331:10 Unique 2.59, 3.48 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 755, 756,
&end
#
# 49 GLU HG- 49 GLU HN 3.60 (# 332:10 Preassigned 2.59, 3.48 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 755, 756,
&end
#
# 42 GLU HB- 49 GLU HN 4.60 (# 333:10 Unique 2.18, 3.70 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 656, 657,
&end
#
# 44 VAL MGX 49 GLU HN 4.60 (# 334:10 Unique 2.63, 5.10 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 48 THR MG2 49 GLU HN 3.60 (# 335:10 Unique 2.87, 3.90 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 740, 741, 742,
&end
#
# 49 GLU HB- 49 GLU HN 4.60 (# 336:10 Unique 2.51, 3.27 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 752, 753,
&end
#
# 63 ALA HN 48 THR HN 3.60 (# 337:10 Unique 3.80, 3.95 A)
&rst
ixpk= 337, nxpk= 10, iat= 967, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 47 GLY HN 48 THR HN 4.60 (# 338:10 Unique 4.06, 4.41 A)
&rst
ixpk= 338, nxpk= 10, iat= 727, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 LYS HA 48 THR HN 4.60 (# 339:10 Unique 5.09, 5.37 A)
&rst
ixpk= 339, nxpk= 10, iat= 947, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 THR HA 48 THR HN 2.90 (# 340:10 Unique 2.90, 2.91 A)
&rst
ixpk= 340, nxpk= 10, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 47 GLY HA+ 48 THR HN 2.90 (# 341:10 Unique 2.15, 2.59 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 729, 730,
&end
#
# 48 THR HB 48 THR HN 3.60 (# 342:10 Unique 2.85, 3.05 A)
&rst
ixpk= 342, nxpk= 10, iat= 738, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 63 ALA MB 48 THR HN 3.60 (# 343:10 Unique 1.95, 2.92 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 971, 972, 973,
&end
#
# 48 THR MG2 48 THR HN 4.60 (# 344:10 Unique 3.70, 4.44 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 740, 741, 742,
&end
#
# 44 VAL MGX 48 THR HN 5.60 (# 345:10 Unique 4.34, 6.87 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 48 THR HN 47 GLY HN 4.60 (# 346:10 Unique 4.06, 4.41 A)
&rst
ixpk= 346, nxpk= 10, iat= 734, 727, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 ASP HN 47 GLY HN 2.90 (# 347:10 Unique 2.47, 2.65 A)
&rst
ixpk= 347, nxpk= 10, iat= 715, 727, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 VAL HN 47 GLY HN 4.60 (# 348:10 Unique 3.09, 3.63 A)
&rst
ixpk= 348, nxpk= 10, iat= 687, 727, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:349 47 GLY HN 2.90 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 729, 730, 717,
&end
#
# 45 ASP HA 47 GLY HN 5.60 (# 350:10 Unique 3.51, 4.12 A)
&rst
ixpk= 350, nxpk= 10, iat= 705, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 GLY HA- 47 GLY HN 2.90 (# 351:10 Unique 2.34, 2.74 A)
&rst
ixpk= 351, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 729, 730,
&end
#
# 46 ASP HB+ 47 GLY HN 5.60 (# 352:10 Unique 1.97, 3.57 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 719, 720,
&end
#
# 46 ASP HB- 47 GLY HN 4.60 (# 353:10 Unique 1.97, 3.57 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 719, 720,
&end
#
# 64 VAL MGX 47 GLY HN 5.60 (# 354:10 Preassigned 8.57,11.46 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 44 VAL MGX 47 GLY HN 2.90 (# 355:10 Unique 1.95, 4.51 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 45 ASP HN 46 ASP HN 3.60 (# 356:10 Unique 2.37, 2.63 A)
&rst
ixpk= 356, nxpk= 10, iat= 703, 715, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 47 GLY HN 46 ASP HN 2.90 (# 357:10 Unique 2.47, 2.65 A)
&rst
ixpk= 357, nxpk= 10, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 45 ASP HA 46 ASP HN 2.90 (# 358:10 Unique 3.43, 3.47 A)
&rst
ixpk= 358, nxpk= 10, iat= 705, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 46 ASP HA 46 ASP HN 2.90 (# 359:10 Unique 2.82, 2.88 A)
&rst
ixpk= 359, nxpk= 10, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 VAL HA 46 ASP HN 4.60 (# 360:10 Unique 4.10, 4.25 A)
&rst
ixpk= 360, nxpk= 10, iat= 689, 715, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 ASP HB+ 46 ASP HN 2.90 (# 362:10 Unique 2.27, 2.81 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 719, 720,
&end
#
# 0 AMB 10-2:363 46 ASP HN 2.90 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 719, 720, 707, 708, 707, 708,
&end
#
# 44 VAL HB 46 ASP HN 5.60 (# 364:10 Unique 2.53, 2.72 A)
&rst
ixpk= 364, nxpk= 10, iat= 691, 715, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 44 VAL MGX 46 ASP HN 2.90 (# 365:10 Unique 1.94, 4.07 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL MGY 46 ASP HN 3.60 (# 366:10 Unique 1.94, 4.07 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 46 ASP HN 45 ASP HN 3.60 (# 367:10 Unique 2.37, 2.63 A)
&rst
ixpk= 367, nxpk= 10, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 45 ASP HA 45 ASP HN 2.90 (# 368:10 Unique 2.76, 2.81 A)
&rst
ixpk= 368, nxpk= 10, iat= 705, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 VAL HA 45 ASP HN 2.90 (# 369:10 Unique 2.38, 2.54 A)
&rst
ixpk= 369, nxpk= 10, iat= 689, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 VAL HN 45 ASP HN 4.60 (# 370:10 Unique 4.36, 4.46 A)
&rst
ixpk= 370, nxpk= 10, iat= 687, 703, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:371 45 ASP HN 2.90 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 707, 708, 707, 708,
&end
#
# 44 VAL HB 45 ASP HN 2.90 (# 372:10 Unique 1.95, 2.10 A)
&rst
ixpk= 372, nxpk= 10, iat= 691, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 VAL MGY 45 ASP HN 3.60 (# 373:10 Unique 3.06, 4.19 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL MGX 45 ASP HN 2.90 (# 374:10 Unique 3.06, 4.19 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 0 AMB 10-2:375 44 VAL HN 4.60 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 667, 748,
&end
#
# 45 ASP HN 44 VAL HN 5.60 (# 376:10 Unique 4.36, 4.46 A)
&rst
ixpk= 376, nxpk= 10, iat= 703, 687, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 GLY HN 44 VAL HN 4.60 (# 377:10 Unique 3.09, 3.63 A)
&rst
ixpk= 377, nxpk= 10, iat= 727, 687, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 43 PHE HD 44 VAL HN 5.60 (# 378:10 Unique 3.32, 5.07 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 675, 683,
&end
#
# 48 THR HA 44 VAL HN 3.60 (# 379:10 Unique 3.09, 3.46 A)
&rst
ixpk= 379, nxpk= 10, iat= 736, 687, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 47 GLY HA+ 44 VAL HN 5.60 (# 381:10 Unique 4.11, 4.85 A)
&rst
ixpk= 381, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 729, 730,
&end
#
# 44 VAL HA 44 VAL HN 2.90 (# 382:10 Unique 2.81, 2.91 A)
&rst
ixpk= 382, nxpk= 10, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 43 PHE HB+ 44 VAL HN 4.60 (# 383:10 Unique 3.03, 4.15 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 671, 672,
&end
#
# 43 PHE HB- 44 VAL HN 4.60 (# 384:10 Unique 3.03, 4.15 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 671, 672,
&end
#
# 44 VAL HB 44 VAL HN 3.60 (# 385:10 Unique 3.60, 3.77 A)
&rst
ixpk= 385, nxpk= 10, iat= 691, 687, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 THR MG2 44 VAL HN 4.60 (# 386:10 Unique 4.50, 5.82 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 740, 741, 742,
&end
#
# 44 VAL MGY 44 VAL HN 2.90 (# 387:10 Unique 1.95, 3.37 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL MGX 44 VAL HN 2.90 (# 388:10 Unique 1.95, 3.37 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 693, 694, 695, 697, 698, 699,
&end
#
# 44 VAL HN 43 PHE HN 5.60 (# 389:10 Unique 2.72, 3.68 A)
&rst
ixpk= 389, nxpk= 10, iat= 687, 667, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 43 PHE HD 43 PHE HN 4.60 (# 390:10 Unique 2.35, 4.38 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 675, 683,
&end
#
# 42 GLU HA 43 PHE HN 2.90 (# 392:10 Unique 2.14, 2.32 A)
&rst
ixpk= 392, nxpk= 10, iat= 654, 667, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 43 PHE HB+ 43 PHE HN 2.90 (# 393:10 Unique 2.54, 3.37 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 671, 672,
&end
#
# 43 PHE HB- 43 PHE HN 2.90 (# 394:10 Unique 2.54, 3.37 A)
&rst
ixpk= 394, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 671, 672,
&end
#
# 0 AMB 10-2:395 43 PHE HN 2.90 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 659, 660, 659, 660,
&end
#
# 42 GLU HB- 43 PHE HN 3.60 (# 396:10 Unique 1.94, 3.43 A)
&rst
ixpk= 396, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 656, 657,
&end
#
# 42 GLU HB+ 43 PHE HN 3.60 (# 397:10 Unique 1.94, 3.43 A)
&rst
ixpk= 397, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:398 42 GLU HN 3.60 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 748, 667,
&end
#
# 41 GLY HA- 42 GLU HN 2.90 (# 400:10 Unique 2.18, 2.84 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 647, 648,
&end
#
# 29 ASP HA 30 VAL HN 2.90 (# 401:10 Unique 2.14, 2.14 A)
&rst
ixpk= 401, nxpk= 10, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 42 GLU HA 42 GLU HN 2.90 (# 402:10 Unique 2.77, 2.91 A)
&rst
ixpk= 402, nxpk= 10, iat= 654, 652, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 41 GLY HA+ 42 GLU HN 2.90 (# 403:10 Unique 2.18, 2.84 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 647, 648,
&end
#
# 40 ALA MB 42 GLU HN 4.60 (# 404:10 Unique 2.62, 5.56 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 639, 640, 641,
&end
#
# 0 AMB 10-2:405 42 GLU HN 3.60 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 659, 660, 659, 660,
&end
#
# 42 GLU HB+ 42 GLU HN 2.90 (# 406:10 Unique 2.21, 3.16 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 656, 657,
&end
#
# 42 GLU HB- 42 GLU HN 2.90 (# 407:10 Unique 2.21, 3.16 A)
&rst
ixpk= 407, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:408 30 VAL HN 3.60 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 475, 569, 570, 371,
&end
#
# 39 THR MG2 30 VAL HN 4.60 (# 409:10 Unique 2.08, 3.74 A)
&rst
ixpk= 409, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 627, 628, 629,
&end
#
# 30 VAL MGY 30 VAL HN 3.60 (# 410:10 Unique 1.95, 3.67 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 41 GLY HA- 41 GLY HN 2.90 (# 411:10 Unique 2.30, 2.62 A)
&rst
ixpk= 411, nxpk= 10, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 647, 648,
&end
#
# 40 ALA HA 41 GLY HN 2.90 (# 412:10 Unique 2.15, 2.84 A)
&rst
ixpk= 412, nxpk= 10, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 41 GLY HA+ 41 GLY HN 2.90 (# 413:10 Unique 2.30, 2.62 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 647, 648,
&end
#
# 40 ALA MB 41 GLY HN 2.90 (# 414:10 Unique 1.95, 3.47 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 639, 640, 641,
&end
#
# 51 HIS HN 40 ALA HN 3.60 (# 415:10 Unique 2.27, 2.71 A)
&rst
ixpk= 415, nxpk= 10, iat= 777, 635, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 39 THR HA 40 ALA HN 2.90 (# 416:10 Unique 2.19, 2.35 A)
&rst
ixpk= 416, nxpk= 10, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 39 THR HB 40 ALA HN 2.90 (# 418:10 Unique 1.94, 2.59 A)
&rst
ixpk= 418, nxpk= 10, iat= 625, 635, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 51 HIS HB+ 40 ALA HN 3.60 (# 419:10 Unique 2.06, 3.57 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 781, 782,
&end
#
# 40 ALA MB 40 ALA HN 2.90 (# 420:10 Unique 2.21, 3.07 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 639, 640, 641,
&end
#
# 50 THR MG2 40 ALA HN 3.60 (# 421:10 Unique 2.58, 4.25 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 769, 770, 771,
&end
#
# 39 THR MG2 40 ALA HN 3.60 (# 422:10 Unique 3.34, 4.50 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 627, 628, 629,
&end
#
# 40 ALA HN 39 THR HN 4.60 (# 423:10 Unique 4.29, 4.38 A)
&rst
ixpk= 423, nxpk= 10, iat= 635, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 38 GLU HN 39 THR HN 4.60 (# 424:10 Unique 4.48, 4.58 A)
&rst
ixpk= 424, nxpk= 10, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 39 THR HA 39 THR HN 3.60 (# 425:10 Unique 2.88, 2.92 A)
&rst
ixpk= 425, nxpk= 10, iat= 623, 621, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 38 GLU HA 39 THR HN 2.90 (# 427:10 Unique 2.15, 2.32 A)
&rst
ixpk= 427, nxpk= 10, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 39 THR HB 39 THR HN 4.60 (# 428:10 Unique 3.73, 3.86 A)
&rst
ixpk= 428, nxpk= 10, iat= 625, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 38 GLU HG+ 39 THR HN 4.60 (# 429:10 Unique 3.00, 4.57 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 613, 614,
&end
#
# 38 GLU HB- 39 THR HN 2.90 (# 430:10 Unique 2.24, 3.28 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 610, 611,
&end
#
# 38 GLU HB+ 39 THR HN 2.90 (# 431:10 Unique 2.24, 3.28 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 610, 611,
&end
#
# 0 AMB 10-2:432 39 THR HN 5.60 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 769, 770, 771, 569, 570, 475,
&end
#
# 39 THR MG2 39 THR HN 3.60 (# 433:10 Unique 2.96, 4.02 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 627, 628, 629,
&end
#
# 39 THR HN 38 GLU HN 4.60 (# 434:10 Unique 4.48, 4.58 A)
&rst
ixpk= 434, nxpk= 10, iat= 621, 606, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:435 38 GLU HN 2.90 (# 435:10 Single Ambig)
&rst
ixpk= 435, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 589, 608,
&end
#
# 38 GLU HG+ 38 GLU HN 3.60 (# 436:10 Unique 1.95, 2.84 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 613, 614,
&end
#
# 38 GLU HG- 38 GLU HN 2.90 (# 437:10 Unique 1.95, 2.84 A)
&rst
ixpk= 437, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 613, 614,
&end
#
# 38 GLU HB+ 38 GLU HN 2.90 (# 438:10 Unique 2.39, 3.07 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 610, 611,
&end
#
# 38 GLU HB- 38 GLU HN 2.90 (# 439:10 Unique 2.39, 3.07 A)
&rst
ixpk= 439, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 610, 611,
&end
#
# 0 AMB 10-2:440 38 GLU HN 2.90 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 591, 592, 591, 592,
&end
#
# 37 LEU HG 38 GLU HN 4.60 (# 441:10 Unique 4.43, 4.92 A)
&rst
ixpk= 441, nxpk= 10, iat= 594, 606, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 LEU MDX 38 GLU HN 3.60 (# 442:10 Unique 2.44, 5.03 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 37 LEU MDY 38 GLU HN 3.60 (# 443:10 Unique 2.44, 5.03 A)
&rst
ixpk= 443, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 32 CYS HN 37 LEU HN 5.60 (# 444:10 Unique 3.51, 4.13 A)
&rst
ixpk= 444, nxpk= 10, iat= 511, 587, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 37 LEU HA 37 LEU HN 2.90 (# 445:10 Unique 2.82, 2.91 A)
&rst
ixpk= 445, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 37 LEU HG 37 LEU HN 2.90 (# 446:10 Unique 2.01, 2.65 A)
&rst
ixpk= 446, nxpk= 10, iat= 594, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:447 37 LEU HN 2.90 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 591, 592, 591, 592, 575, 576,
&end
#
# 37 LEU MDX 37 LEU HN 2.90 (# 449:10 Unique 2.43, 4.50 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 10-2:450 0 AMB 10-1:450 3.60 (# 450:10 Double Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 572, 573,1210,1211,1188,
igr2= 587,1200,
&end
#
# 35 LYS HN 36 LYS HN 5.60 (# 451:10 Unique 4.23, 4.57 A)
&rst
ixpk= 451, nxpk= 10, iat= 543, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:452 36 LYS HN 4.60 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 506, 504,
&end
#
# 36 LYS HA 36 LYS HN 3.60 (# 454:10 Unique 2.84, 2.93 A)
&rst
ixpk= 454, nxpk= 10, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:455 36 LYS HN 4.60 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 547, 548, 547, 548,
&end
#
# 0 AMB 10-2:456 36 LYS HN 5.60 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 553, 554, 553, 554,
&end
#
# 35 LYS HG- 36 LYS HN 5.60 (# 457:10 Unique 2.91, 4.34 A)
&rst
ixpk= 457, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 550, 551,
&end
#
# 36 LYS HD+ 36 LYS HN 3.60 (# 458:10 Unique 1.94, 3.82 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 575, 576,
&end
#
# 36 LYS HD- 36 LYS HN 2.90 (# 459:10 Unique 1.94, 3.82 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 575, 576,
&end
#
# 36 LYS HB+ 36 LYS HN 2.90 (# 460:10 Unique 2.35, 2.98 A)
&rst
ixpk= 460, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 569, 570,
&end
#
# 36 LYS HG+ 36 LYS HN 4.60 (# 461:10 Unique 1.87, 4.07 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 572, 573,
&end
#
# 36 LYS HB- 36 LYS HN 2.90 (# 462:10 Unique 2.35, 2.98 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 569, 570,
&end
#
# 36 LYS HG- 36 LYS HN 4.60 (# 463:10 Unique 1.87, 4.07 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 572, 573,
&end
#
# 32 CYS HN 35 LYS HN 3.60 (# 464:10 Unique 2.38, 3.95 A)
&rst
ixpk= 464, nxpk= 10, iat= 511, 543, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 34 GLY HN 35 LYS HN 3.60 (# 465:10 Unique 2.39, 3.29 A)
&rst
ixpk= 465, nxpk= 10, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 36 LYS HN 35 LYS HN 5.60 (# 466:10 Unique 4.23, 4.57 A)
&rst
ixpk= 466, nxpk= 10, iat= 565, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 31 TRP HE3 35 LYS HN 5.60 (# 467:10 Unique 3.85, 5.50 A)
&rst
ixpk= 467, nxpk= 10, iat= 506, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 34 GLY HA+ 35 LYS HN 3.60 (# 469:10 Unique 2.26, 3.09 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 538, 539,
&end
#
# 34 GLY HA- 35 LYS HN 4.60 (# 470:10 Unique 2.26, 3.09 A)
&rst
ixpk= 470, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 538, 539,
&end
#
# 35 LYS HB- 35 LYS HN 2.90 (# 471:10 Unique 2.37, 3.06 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 547, 548,
&end
#
# 0 AMB 10-2:472 35 LYS HN 3.60 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 553, 554, 553, 554,
&end
#
# 35 LYS HB+ 35 LYS HN 2.90 (# 473:10 Unique 2.37, 3.06 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 547, 548,
&end
#
# 35 LYS HG+ 35 LYS HN 3.60 (# 474:10 Unique 2.03, 3.04 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 550, 551,
&end
#
# 35 LYS HG- 35 LYS HN 3.60 (# 475:10 Unique 2.03, 3.04 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 550, 551,
&end
#
# 33 ASN HN 34 GLY HN 3.60 (# 476:10 Unique 2.61, 2.70 A)
&rst
ixpk= 476, nxpk= 10, iat= 522, 536, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 35 LYS HN 34 GLY HN 3.60 (# 477:10 Unique 2.39, 3.29 A)
&rst
ixpk= 477, nxpk= 10, iat= 543, 536, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 34 GLY HA+ 34 GLY HN 2.90 (# 478:10 Unique 2.30, 2.67 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 538, 539,
&end
#
# 34 GLY HA- 34 GLY HN 2.90 (# 479:10 Unique 2.30, 2.67 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 538, 539,
&end
#
# 34 GLY HN 33 ASN HN 4.60 (# 480:10 Unique 2.61, 2.70 A)
&rst
ixpk= 480, nxpk= 10, iat= 536, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ARG HN 33 ASN HN 4.60 (# 481:10 Unique 2.52, 3.43 A)
&rst
ixpk= 481, nxpk= 10, iat= 305, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 CYS HA 33 ASN HN 2.90 (# 482:10 Unique 2.14, 2.17 A)
&rst
ixpk= 482, nxpk= 10, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 33 ASN HA 33 ASN HN 2.90 (# 483:10 Unique 2.27, 2.28 A)
&rst
ixpk= 483, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 33 ASN HB- 33 ASN HN 5.60 (# 484:10 Preassigned 2.96, 3.46 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 526, 527,
&end
#
# 33 ASN HB+ 33 ASN HN 4.60 (# 485:10 Unique 2.96, 3.46 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 526, 527,
&end
#
# 33 ASN HN 32 CYS HN 4.60 (# 486:10 Unique 3.65, 4.08 A)
&rst
ixpk= 486, nxpk= 10, iat= 522, 511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 LEU HN 32 CYS HN 5.60 (# 487:10 Unique 3.51, 4.13 A)
&rst
ixpk= 487, nxpk= 10, iat= 587, 511, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 35 LYS HN 32 CYS HN 3.60 (# 488:10 Unique 2.38, 3.95 A)
&rst
ixpk= 488, nxpk= 10, iat= 543, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:489 32 CYS HN 5.60 (# 489:10 Single Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 506, 504,
&end
#
# 32 CYS HA 32 CYS HN 3.60 (# 490:10 Unique 2.90, 2.93 A)
&rst
ixpk= 490, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 TRP HA 32 CYS HN 2.90 (# 491:10 Unique 2.15, 2.25 A)
&rst
ixpk= 491, nxpk= 10, iat= 489, 511, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 36 LYS HA 32 CYS HN 3.60 (# 492:10 Unique 2.61, 3.10 A)
&rst
ixpk= 492, nxpk= 10, iat= 567, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 TRP HB+ 32 CYS HN 3.60 (# 493:10 Unique 2.64, 3.51 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 491, 492,
&end
#
# 0 AMB 10-2:494 32 CYS HN 2.90 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 515, 516, 491, 492,
&end
#
# 32 CYS HB- 32 CYS HN 3.60 (# 495:10 Unique 2.63, 3.22 A)
&rst
ixpk= 495, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 515, 516,
&end
#
# 0 AMB 10-2:496 32 CYS HN 4.60 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 547, 548, 547, 548,
&end
#
# 37 LEU HG 32 CYS HN 3.60 (# 497:10 Unique 3.19, 3.68 A)
&rst
ixpk= 497, nxpk= 10, iat= 594, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 LEU MDX 32 CYS HN 3.60 (# 498:10 Unique 2.15, 5.43 A)
&rst
ixpk= 498, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 31 TRP HD1 31 TRP HN 4.60 (# 500:10 Unique 2.55, 3.02 A)
&rst
ixpk= 500, nxpk= 10, iat= 495, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 TRP HA 31 TRP HN 3.60 (# 501:10 Unique 2.90, 2.93 A)
&rst
ixpk= 501, nxpk= 10, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 30 VAL HA 31 TRP HN 2.90 (# 502:10 Unique 2.14, 2.14 A)
&rst
ixpk= 502, nxpk= 10, iat= 473, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 TRP HB+ 31 TRP HN 2.90 (# 503:10 Unique 2.21, 3.00 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 491, 492,
&end
#
# 31 TRP HB- 31 TRP HN 3.60 (# 504:10 Unique 2.21, 3.00 A)
&rst
ixpk= 504, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 491, 492,
&end
#
# 0 AMB 10-2:505 31 TRP HN 3.60 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 335, 336, 337, 373, 374, 375, 377, 378, 379, 354,
355, 356, 358, 359, 360, 596, 597, 598, 600, 601,
602,
&end
#
# 30 VAL MGY 31 TRP HN 3.60 (# 506:10 Unique 2.44, 4.31 A)
&rst
ixpk= 506, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 30 VAL MGX 31 TRP HN 2.90 (# 507:10 Unique 2.44, 4.31 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 24 GLU HN 29 ASP HN 3.60 (# 508:10 Unique 2.44, 2.78 A)
&rst
ixpk= 508, nxpk= 10, iat= 383, 459, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 30 VAL HN 29 ASP HN 5.60 (# 509:10 Unique 3.90, 4.06 A)
&rst
ixpk= 509, nxpk= 10, iat= 471, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 28 MET HN 29 ASP HN 2.90 (# 510:10 Unique 2.77, 2.87 A)
&rst
ixpk= 510, nxpk= 10, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 LYS HA 29 ASP HN 5.60 (# 511:10 Unique 4.05, 4.98 A)
&rst
ixpk= 511, nxpk= 10, iat= 400, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 29 ASP HA 29 ASP HN 2.90 (# 512:10 Unique 2.90, 2.93 A)
&rst
ixpk= 512, nxpk= 10, iat= 461, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 28 MET HA 29 ASP HN 2.90 (# 513:10 Unique 2.49, 2.63 A)
&rst
ixpk= 513, nxpk= 10, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 27 ALA HA 29 ASP HN 5.60 (# 514:10 Unique 4.78, 5.13 A)
&rst
ixpk= 514, nxpk= 10, iat= 434, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 29 ASP HB+ 29 ASP HN 2.90 (# 515:10 Unique 2.77, 3.41 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 463, 464,
&end
#
# 0 AMB 10-2:516 29 ASP HN 3.60 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 387, 388, 390, 391,
&end
#
# 0 AMB 10-2:517 29 ASP HN 2.90 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 387, 388, 463, 464, 390, 391,
&end
#
# 27 ALA MB 29 ASP HN 3.60 (# 518:10 Unique 2.97, 4.21 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 436, 437, 438,
&end
#
# 23 LEU MDX 29 ASP HN 3.60 (# 519:10 Unique 3.09, 5.03 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 10-2:520 29 ASP HN 5.60 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 371, 475, 405, 406, 769, 770, 771, 569, 570,
&end
#
# 26 ASP HN 28 MET HN 5.60 (# 521:10 Unique 3.83, 3.93 A)
&rst
ixpk= 521, nxpk= 10, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 29 ASP HN 28 MET HN 2.90 (# 522:10 Unique 2.77, 2.87 A)
&rst
ixpk= 522, nxpk= 10, iat= 459, 442, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 28 MET HA 28 MET HN 2.90 (# 523:10 Unique 2.27, 2.27 A)
&rst
ixpk= 523, nxpk= 10, iat= 444, 442, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 27 ALA HA 28 MET HN 3.60 (# 524:10 Unique 3.21, 3.45 A)
&rst
ixpk= 524, nxpk= 10, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 25 LYS HA 28 MET HN 4.60 (# 525:10 Unique 2.88, 3.31 A)
&rst
ixpk= 525, nxpk= 10, iat= 400, 442, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 MET HG+ 28 MET HN 3.60 (# 526:10 Unique 2.77, 3.56 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 449, 450,
&end
#
# 28 MET HG- 28 MET HN 3.60 (# 527:10 Unique 2.77, 3.56 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 449, 450,
&end
#
# 0 AMB 10-2:528 28 MET HN 3.60 (# 528:10 Single Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 387, 388, 446, 447,
&end
#
# 28 MET HB+ 28 MET HN 3.60 (# 529:10 Unique 3.30, 3.73 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 446, 447,
&end
#
# 27 ALA MB 28 MET HN 3.60 (# 530:10 Unique 2.95, 3.72 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 436, 437, 438,
&end
#
# 23 LEU MDX 28 MET HN 4.60 (# 531:10 Unique 4.51, 6.10 A)
&rst
ixpk= 531, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 26 ASP HN 27 ALA HN 2.90 (# 532:10 Unique 2.46, 2.56 A)
&rst
ixpk= 532, nxpk= 10, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 29 ASP HN 27 ALA HN 5.60 (# 534:10 Unique 3.46, 4.27 A)
&rst
ixpk= 534, nxpk= 10, iat= 459, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 27 ALA HA 27 ALA HN 2.90 (# 535:10 Unique 2.93, 2.94 A)
&rst
ixpk= 535, nxpk= 10, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 28 MET HA 27 ALA HN 5.60 (# 536:10 Unique 3.97, 4.24 A)
&rst
ixpk= 536, nxpk= 10, iat= 444, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 24 GLU HB+ 27 ALA HN 4.60 (# 537:10 Unique 2.31, 3.06 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 387, 388,
&end
#
# 26 ASP HB+ 27 ALA HN 2.90 (# 538:10 Unique 3.02, 3.64 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 424, 425,
&end
#
# 27 ALA MB 27 ALA HN 2.90 (# 539:10 Unique 2.32, 3.09 A)
&rst
ixpk= 539, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 436, 437, 438,
&end
#
# 25 LYS HN 26 ASP HN 4.60 (# 540:10 Unique 2.26, 2.43 A)
&rst
ixpk= 540, nxpk= 10, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 ALA HN 26 ASP HN 2.90 (# 541:10 Unique 2.46, 2.56 A)
&rst
ixpk= 541, nxpk= 10, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 26 ASP HA 26 ASP HN 2.90 (# 543:10 Preassigned 2.80, 2.84 A)
&rst
ixpk= 543, nxpk= 10, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 LYS HA 26 ASP HN 3.60 (# 544:10 Unique 3.47, 3.56 A)
&rst
ixpk= 544, nxpk= 10, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 ASP HB- 26 ASP HN 2.90 (# 545:10 Unique 2.24, 2.55 A)
&rst
ixpk= 545, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 424, 425,
&end
#
# 0 AMB 10-2:546 26 ASP HN 2.90 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 424, 425, 411, 412,
&end
#
# 0 AMB 10-2:547 26 ASP HN 5.60 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 387, 388, 390, 391,
&end
#
# 0 AMB 10-2:548 26 ASP HN 4.60 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 387, 388, 390, 391,
&end
#
# 0 AMB 10-2:549 26 ASP HN 3.60 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 402, 403, 402, 403,
&end
#
# 0 AMB 10-2:550 26 ASP HN 4.60 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 408, 409, 408, 409,
&end
#
# 27 ALA MB 26 ASP HN 4.60 (# 551:10 Unique 4.26, 5.31 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 436, 437, 438,
&end
#
# 0 AMB 10-2:552 26 ASP HN 4.60 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 405, 406, 371,
&end
#
# 26 ASP HN 25 LYS HN 4.60 (# 553:10 Unique 2.26, 2.43 A)
&rst
ixpk= 553, nxpk= 10, iat= 420, 398, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 53 SER HA 59 CYS HN 2.90 (# 554:10 Unique 2.07, 2.93 A)
&rst
ixpk= 554, nxpk= 10, iat= 816, 894, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 LYS HA 25 LYS HN 3.60 (# 555:10 Preassigned 2.89, 2.92 A)
&rst
ixpk= 555, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:556 25 LYS HN 5.60 (# 556:10 Single Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 387, 388, 390, 391,
&end
#
# 0 AMB 10-2:557 25 LYS HN 4.60 (# 557:10 Single Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 387, 388, 390, 391,
&end
#
# 0 AMB 10-2:558 25 LYS HN 3.60 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 402, 403, 402, 403,
&end
#
# 25 LYS HG- 25 LYS HN 3.60 (# 561:10 Unique 2.34, 3.43 A)
&rst
ixpk= 561, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 405, 406,
&end
#
# 7 THR MG2 25 LYS HN 4.60 (# 562:10 Unique 3.13, 4.86 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 108, 109, 110,
&end
#
# 29 ASP HN 24 GLU HN 4.60 (# 563:10 Unique 2.44, 2.78 A)
&rst
ixpk= 563, nxpk= 10, iat= 459, 383, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 TRP HD1 24 GLU HN 5.60 (# 564:10 Unique 3.81, 5.15 A)
&rst
ixpk= 564, nxpk= 10, iat= 495, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 23 LEU HA 24 GLU HN 2.90 (# 565:10 Unique 2.14, 2.16 A)
&rst
ixpk= 565, nxpk= 10, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:567 24 GLU HN 2.90 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 387, 388, 390, 391,
&end
#
# 29 ASP HB+ 24 GLU HN 4.60 (# 568:10 Unique 3.93, 4.85 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 463, 464,
&end
#
# 27 ALA MB 24 GLU HN 5.60 (# 569:10 Unique 4.58, 5.76 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 436, 437, 438,
&end
#
# 0 AMB 10-2:570 24 GLU HN 2.90 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 387, 388, 390, 391,
&end
#
# 23 LEU HG 24 GLU HN 3.60 (# 571:10 Unique 2.47, 4.29 A)
&rst
ixpk= 571, nxpk= 10, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 23 LEU MDX 24 GLU HN 2.90 (# 572:10 Unique 2.02, 3.76 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 23 LEU MDY 24 GLU HN 4.60 (# 573:10 Unique 2.02, 3.76 A)
&rst
ixpk= 573, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 8 ASN HN 23 LEU HN 4.60 (# 574:10 Unique 2.62, 3.40 A)
&rst
ixpk= 574, nxpk= 10, iat= 116, 364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 10 TRP HZ3 23 LEU HN 4.60 (# 575:10 Unique 3.56, 9.07 A)
&rst
ixpk= 575, nxpk= 10, iat= 161, 364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:576 23 LEU HN 2.90 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 366, 132, 104,
&end
#
# 22 VAL HA 23 LEU HN 2.90 (# 577:10 Unique 2.14, 2.17 A)
&rst
ixpk= 577, nxpk= 10, iat= 350, 364, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 23 LEU HB+ 23 LEU HN 2.90 (# 578:10 Unique 2.25, 2.66 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 368, 369,
&end
#
# 23 LEU HB- 23 LEU HN 3.60 (# 579:10 Unique 2.25, 2.66 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 368, 369,
&end
#
# 22 VAL MGX 23 LEU HN 2.90 (# 580:10 Unique 2.05, 4.53 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 23 LEU MDY 23 LEU HN 4.60 (# 581:10 Unique 4.15, 5.15 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 32 CYS HA 22 VAL HN 4.60 (# 582:10 Unique 3.28, 3.95 A)
&rst
ixpk= 582, nxpk= 10, iat= 513, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 VAL HA 22 VAL HN 2.90 (# 583:10 Unique 2.91, 2.94 A)
&rst
ixpk= 583, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 21 ILE HA 22 VAL HN 2.90 (# 584:10 Unique 2.14, 2.17 A)
&rst
ixpk= 584, nxpk= 10, iat= 331, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 TRP HB- 22 VAL HN 4.60 (# 585:10 Unique 2.34, 3.33 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 491, 492,
&end
#
# 22 VAL HB 22 VAL HN 2.90 (# 586:10 Unique 2.64, 2.74 A)
&rst
ixpk= 586, nxpk= 10, iat= 352, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 22 VAL MGY 22 VAL HN 2.90 (# 587:10 Unique 2.68, 4.17 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 10-2:588 22 VAL HN 2.90 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 335, 336, 337, 354, 355, 356, 358, 359, 360,
&end
#
# 21 ILE HA 21 ILE HN 3.60 (# 589:10 Unique 2.94, 2.94 A)
&rst
ixpk= 589, nxpk= 10, iat= 331, 329, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ARG HA 21 ILE HN 2.90 (# 590:10 Unique 2.14, 2.18 A)
&rst
ixpk= 590, nxpk= 10, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:591 21 ILE HN 3.60 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 148, 149, 148, 149, 289, 290,
&end
#
# 21 ILE HB 21 ILE HN 2.90 (# 592:10 Unique 2.45, 2.64 A)
&rst
ixpk= 592, nxpk= 10, iat= 333, 329, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 21 ILE HG1- 21 ILE HN 3.60 (# 593:10 Unique 2.49, 3.75 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 339, 340,
&end
#
# 21 ILE HG1+ 21 ILE HN 3.60 (# 594:10 Unique 2.49, 3.75 A)
&rst
ixpk= 594, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 339, 340,
&end
#
# 77 LEU MDY 21 ILE HN 5.60 (# 595:10 Unique 6.36, 8.37 A)
&rst
ixpk= 595, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 10-2:596 21 ILE HN 4.60 (# 596:10 Single Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 354, 355, 356, 358, 359, 360, 335, 336, 337,1361,
1362,1363, 174, 175, 176, 178, 179, 180,
&end
#
# 33 ASN HN 20 ARG HN 3.60 (# 597:10 Unique 2.52, 3.43 A)
&rst
ixpk= 597, nxpk= 10, iat= 522, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 33 ASN HD2- 20 ARG HN 3.60 (# 598:10 Unique 1.91, 3.37 A)
&rst
ixpk= 598, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 531, 532,
&end
#
# 20 ARG HA 20 ARG HN 3.60 (# 599:10 Unique 2.85, 2.90 A)
&rst
ixpk= 599, nxpk= 10, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 PHE HA 20 ARG HN 2.90 (# 600:10 Unique 2.14, 2.21 A)
&rst
ixpk= 600, nxpk= 10, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:601 20 ARG HN 4.60 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 526, 527, 315, 316, 315, 316,
&end
#
# 19 PHE HB+ 20 ARG HN 3.60 (# 602:10 Unique 2.60, 3.57 A)
&rst
ixpk= 602, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 289, 290,
&end
#
# 19 PHE HB- 20 ARG HN 3.60 (# 603:10 Unique 2.60, 3.57 A)
&rst
ixpk= 603, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 289, 290,
&end
#
# 20 ARG HB+ 20 ARG HN 2.90 (# 604:10 Unique 2.19, 2.66 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 309, 310,
&end
#
# 20 ARG HB- 20 ARG HN 2.90 (# 605:10 Unique 2.19, 2.66 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 309, 310,
&end
#
# 20 ARG HG+ 20 ARG HN 5.60 (# 606:10 Unique 2.99, 4.46 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 312, 313,
&end
#
# 0 AMB 10-2:607 20 ARG HN 4.60 (# 607:10 Single Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 342, 343, 344, 174, 175, 176, 178, 179, 180,
&end
#
# 12 LEU HN 19 PHE HN 2.90 (# 608:10 Unique 2.65, 3.20 A)
&rst
ixpk= 608, nxpk= 10, iat= 184, 285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:609 19 PHE HN 4.60 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 305, 203,
&end
#
# 0 AMB 10-2:610 19 PHE HN 5.60 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 295, 299, 213,
&end
#
# 19 PHE HD 19 PHE HN 3.60 (# 611:10 Unique 2.23, 3.87 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 293, 301,
&end
#
# 13 HIS HA 19 PHE HN 3.60 (# 612:10 Unique 2.87, 3.57 A)
&rst
ixpk= 612, nxpk= 10, iat= 205, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 ASN HA 19 PHE HN 2.90 (# 613:10 Unique 2.14, 2.23 A)
&rst
ixpk= 613, nxpk= 10, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 11 VAL HA 19 PHE HN 4.60 (# 614:10 Unique 4.05, 4.75 A)
&rst
ixpk= 614, nxpk= 10, iat= 170, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 PHE HA 19 PHE HN 3.60 (# 615:10 Unique 2.89, 2.93 A)
&rst
ixpk= 615, nxpk= 10, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 PHE HB+ 19 PHE HN 2.90 (# 616:10 Unique 2.22, 3.17 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 289, 290,
&end
#
# 19 PHE HB- 19 PHE HN 2.90 (# 617:10 Unique 2.22, 3.17 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 289, 290,
&end
#
# 18 ASN HB- 19 PHE HN 3.60 (# 618:10 Unique 2.40, 3.64 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 275, 276,
&end
#
# 17 GLU HB+ 19 PHE HN 4.60 (# 619:10 Unique 4.98, 6.16 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 260, 261,
&end
#
# 12 LEU MDX 19 PHE HN 4.60 (# 620:10 Unique 4.28, 6.97 A)
&rst
ixpk= 620, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 193, 194, 195, 197, 198, 199,
&end
#
# 0 AMB 10-2:621 19 PHE HN 3.60 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 174, 175, 176, 178, 179, 180, 193, 194, 195, 197,
198, 199, 342, 343, 344,
&end
#
# 19 PHE HN 18 ASN HN 4.60 (# 622:10 Preassigned 4.21, 4.47 A)
&rst
ixpk= 622, nxpk= 10, iat= 285, 271, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 GLU HN 18 ASN HN 5.60 (# 623:10 Unique 4.24, 4.52 A)
&rst
ixpk= 623, nxpk= 10, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 ASN HA 18 ASN HN 3.60 (# 624:10 Unique 2.81, 2.92 A)
&rst
ixpk= 624, nxpk= 10, iat= 273, 271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GLU HA 18 ASN HN 2.90 (# 625:10 Unique 2.17, 2.39 A)
&rst
ixpk= 625, nxpk= 10, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 18 ASN HB+ 18 ASN HN 2.90 (# 626:10 Unique 2.19, 3.04 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 275, 276,
&end
#
# 18 ASN HB- 18 ASN HN 2.90 (# 627:10 Unique 2.19, 3.04 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 275, 276,
&end
#
# 17 GLU HG- 18 ASN HN 3.60 (# 628:10 Unique 3.34, 4.31 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 263, 264,
&end
#
# 17 GLU HG+ 18 ASN HN 3.60 (# 629:10 Unique 3.34, 4.31 A)
&rst
ixpk= 629, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 263, 264,
&end
#
# 17 GLU HB+ 18 ASN HN 3.60 (# 630:10 Unique 2.01, 3.17 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 260, 261,
&end
#
# 17 GLU HB- 18 ASN HN 3.60 (# 631:10 Unique 2.01, 3.17 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 260, 261,
&end
#
# 17 GLU HN 16 GLY HN 3.60 (# 632:10 Unique 1.90, 3.06 A)
&rst
ixpk= 632, nxpk= 10, iat= 256, 249, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 ASP HA 16 GLY HN 3.60 (# 634:10 Unique 2.15, 2.90 A)
&rst
ixpk= 634, nxpk= 10, iat= 239, 249, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 GLY HA+ 16 GLY HN 2.90 (# 635:10 Unique 2.29, 2.63 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 251, 252,
&end
#
# 16 GLY HA- 16 GLY HN 2.90 (# 636:10 Unique 2.29, 2.63 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 251, 252,
&end
#
# 14 MET HA 15 ASP HN 3.60 (# 638:10 Unique 2.16, 3.34 A)
&rst
ixpk= 638, nxpk= 10, iat= 222, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 ASP HA 15 ASP HN 3.60 (# 639:10 Unique 2.27, 2.84 A)
&rst
ixpk= 639, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GLU HN 14 MET HN 3.60 (# 640:10 Unique 4.23, 4.96 A)
&rst
ixpk= 640, nxpk= 10, iat= 256, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 13 HIS HE1 14 MET HN 5.60 (# 641:10 Preassigned 4.90, 6.88 A)
&rst
ixpk= 641, nxpk= 10, iat= 213, 220, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 19 PHE HD 14 MET HN 4.60 (# 642:10 Preassigned 2.17, 5.43 A)
&rst
ixpk= 642, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 293, 301,
&end
#
# 13 HIS HA 14 MET HN 2.90 (# 643:10 Unique 2.14, 2.16 A)
&rst
ixpk= 643, nxpk= 10, iat= 205, 220, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 14 MET HA 14 MET HN 2.90 (# 644:10 Unique 2.81, 2.92 A)
&rst
ixpk= 644, nxpk= 10, iat= 222, 220, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 14 MET HG+ 14 MET HN 4.60 (# 646:10 Unique 2.22, 3.30 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 227, 228,
&end
#
# 14 MET HG- 14 MET HN 4.60 (# 647:10 Unique 2.22, 3.30 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 227, 228,
&end
#
# 14 MET HB+ 14 MET HN 2.90 (# 648:10 Unique 2.21, 3.13 A)
&rst
ixpk= 648, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 224, 225,
&end
#
# 14 MET HB- 14 MET HN 2.90 (# 649:10 Unique 2.21, 3.13 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 224, 225,
&end
#
# 13 HIS HB+ 14 MET HN 5.60 (# 650:10 Unique 3.13, 4.00 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 207, 208,
&end
#
# 18 ASN HD2- 13 HIS HN 5.60 (# 651:10 Unique 3.15, 5.51 A)
&rst
ixpk= 651, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 280, 281,
&end
#
# 13 HIS HA 13 HIS HN 3.60 (# 652:10 Unique 2.89, 2.93 A)
&rst
ixpk= 652, nxpk= 10, iat= 205, 203, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 13 HIS HB+ 13 HIS HN 3.60 (# 654:10 Unique 2.38, 3.17 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 207, 208,
&end
#
# 13 HIS HB- 13 HIS HN 2.90 (# 655:10 Unique 2.38, 3.17 A)
&rst
ixpk= 655, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 207, 208,
&end
#
# 12 LEU MDX 13 HIS HN 3.60 (# 656:10 Unique 2.29, 4.74 A)
&rst
ixpk= 656, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 193, 194, 195, 197, 198, 199,
&end
#
# 12 LEU HB+ 13 HIS HN 3.60 (# 657:10 Preassigned 3.90, 4.25 A)
&rst
ixpk= 657, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 188, 189,
&end
#
# 0 AMB 10-2:658 13 HIS HN 3.60 (# 658:10 Single Ambig)
&rst
ixpk= 658, nxpk= 10, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 193, 194, 195, 197, 198, 199, 191,
&end
#
# 21 ILE HN 12 LEU HN 5.60 (# 660:10 Unique 4.32, 5.00 A)
&rst
ixpk= 660, nxpk= 10, iat= 329, 184, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:661 12 LEU HN 4.60 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 203, 305,
&end
#
# 0 AMB 10-2:662 12 LEU HN 4.60 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 168, 220,
&end
#
# 19 PHE HN 12 LEU HN 2.90 (# 663:10 Unique 2.65, 3.20 A)
&rst
ixpk= 663, nxpk= 10, iat= 285, 184, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 18 ASN HA 12 LEU HN 5.60 (# 664:10 Unique 3.74, 4.58 A)
&rst
ixpk= 664, nxpk= 10, iat= 273, 184, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 11 VAL HA 12 LEU HN 2.90 (# 665:10 Unique 2.17, 2.19 A)
&rst
ixpk= 665, nxpk= 10, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 19 PHE HB- 12 LEU HN 4.60 (# 667:10 Unique 2.38, 4.63 A)
&rst
ixpk= 667, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 289, 290,
&end
#
# 11 VAL HB 12 LEU HN 4.60 (# 668:10 Unique 3.98, 4.15 A)
&rst
ixpk= 668, nxpk= 10, iat= 172, 184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 LEU HB+ 12 LEU HN 3.60 (# 669:10 Unique 2.57, 2.99 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 188, 189,
&end
#
# 12 LEU HB- 12 LEU HN 2.90 (# 670:10 Unique 2.57, 2.99 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 188, 189,
&end
#
# 12 LEU MDX 12 LEU HN 3.60 (# 671:10 Unique 4.34, 5.49 A)
&rst
ixpk= 671, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 193, 194, 195, 197, 198, 199,
&end
#
# 11 VAL MGY 12 LEU HN 3.60 (# 672:10 Unique 2.15, 3.97 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 10-2:673 12 LEU HN 2.90 (# 673:10 Single Ambig)
&rst
ixpk= 673, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 174, 175, 176, 178, 179, 180, 342, 343, 344,
&end
#
# 10 TRP HN 11 VAL HN 5.60 (# 674:10 Unique 4.05, 4.34 A)
&rst
ixpk= 674, nxpk= 10, iat= 144, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 12 LEU HN 11 VAL HN 5.60 (# 675:10 Unique 4.39, 4.46 A)
&rst
ixpk= 675, nxpk= 10, iat= 184, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 11 VAL HA 11 VAL HN 2.90 (# 676:10 Unique 2.90, 2.94 A)
&rst
ixpk= 676, nxpk= 10, iat= 170, 168, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 10 TRP HA 11 VAL HN 2.90 (# 677:10 Unique 2.14, 2.24 A)
&rst
ixpk= 677, nxpk= 10, iat= 146, 168, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:678 11 VAL HN 2.90 (# 678:10 Single Ambig)
&rst
ixpk= 678, nxpk= 10, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 148, 149, 148, 149,
&end
#
# 11 VAL HB 11 VAL HN 3.60 (# 679:10 Unique 2.64, 2.92 A)
&rst
ixpk= 679, nxpk= 10, iat= 172, 168, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 87 ILE HG1- 11 VAL HN 5.60 (# 680:10 Unique 2.49, 3.47 A)
&rst
ixpk= 680, nxpk= 10, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1358,1359,
&end
#
# 84 ILE QG2 11 VAL HN 4.60 (# 681:10 Unique 3.46, 5.45 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1306,1307,1308,
&end
#
# 11 VAL MGY 11 VAL HN 2.90 (# 682:10 Unique 1.96, 3.82 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 10-2:683 11 VAL HN 2.90 (# 683:10 Single Ambig)
&rst
ixpk= 683, nxpk= 10, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 174, 175, 176, 178, 179, 180,1361,1362,1363,
&end
#
# 11 VAL HN 10 TRP HN 5.60 (# 684:10 Unique 4.05, 4.34 A)
&rst
ixpk= 684, nxpk= 10, iat= 168, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 TRP HE3 10 TRP HN 3.60 (# 685:10 Unique 4.08, 4.92 A)
&rst
ixpk= 685, nxpk= 10, iat= 163, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 TRP HZ3 10 TRP HN 5.60 (# 686:10 Unique 6.13, 7.19 A)
&rst
ixpk= 686, nxpk= 10, iat= 161, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 THR HA 10 TRP HN 2.90 (# 687:10 Unique 2.14, 2.21 A)
&rst
ixpk= 687, nxpk= 10, iat= 132, 144, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:688 10 TRP HN 4.60 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 350, 170,
&end
#
# 10 TRP HA 10 TRP HN 3.60 (# 689:10 Unique 2.88, 2.92 A)
&rst
ixpk= 689, nxpk= 10, iat= 146, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 TRP HB- 10 TRP HN 2.90 (# 690:10 Unique 2.64, 3.14 A)
&rst
ixpk= 690, nxpk= 10, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 148, 149,
&end
#
# 9 THR HB 10 TRP HN 5.60 (# 691:10 Unique 3.30, 3.70 A)
&rst
ixpk= 691, nxpk= 10, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 ILE HB 10 TRP HN 3.60 (# 692:10 Unique 2.34, 3.14 A)
&rst
ixpk= 692, nxpk= 10, iat= 333, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 THR MG2 10 TRP HN 3.60 (# 693:10 Unique 2.05, 3.40 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 136, 137, 138,
&end
#
# 0 AMB 10-2:694 10 TRP HN 3.60 (# 694:10 Single Ambig)
&rst
ixpk= 694, nxpk= 10, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1361,1362,1363, 354, 355, 356, 358, 359, 360, 335,
336, 337, 342, 343, 344,
&end
#
# 77 LEU MDY 10 TRP HN 5.60 (# 695:10 Unique 5.31, 7.50 A)
&rst
ixpk= 695, nxpk= 10, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 8 ASN HN 9 THR HN 5.60 (# 696:10 Unique 4.02, 4.30 A)
&rst
ixpk= 696, nxpk= 10, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 THR HA 9 THR HN 3.60 (# 697:10 Unique 2.92, 2.92 A)
&rst
ixpk= 697, nxpk= 10, iat= 132, 130, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 8 ASN HA 9 THR HN 2.90 (# 698:10 Unique 2.14, 2.17 A)
&rst
ixpk= 698, nxpk= 10, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 9 THR HB 9 THR HN 2.90 (# 699:10 Unique 2.81, 2.90 A)
&rst
ixpk= 699, nxpk= 10, iat= 134, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 10-2:700 9 THR HN 4.60 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1340,1341, 120, 121,
&end
#
# 86 GLU HG- 9 THR HN 4.60 (# 701:10 Unique 2.29, 3.24 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1340,1341,
&end
#
# 8 ASN HB- 9 THR HN 3.60 (# 702:10 Unique 2.86, 4.11 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 120, 121,
&end
#
# 9 THR MG2 9 THR HN 4.60 (# 703:10 Unique 4.31, 4.58 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 136, 137, 138,
&end
#
# 23 LEU HN 8 ASN HN 3.60 (# 704:10 Unique 2.62, 3.40 A)
&rst
ixpk= 704, nxpk= 10, iat= 364, 116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 THR HN 8 ASN HN 5.60 (# 705:10 Unique 4.09, 4.42 A)
&rst
ixpk= 705, nxpk= 10, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 22 VAL HA 8 ASN HN 4.60 (# 706:10 Unique 4.00, 4.55 A)
&rst
ixpk= 706, nxpk= 10, iat= 350, 116, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 7 THR HA 8 ASN HN 2.90 (# 707:10 Unique 2.15, 2.24 A)
&rst
ixpk= 707, nxpk= 10, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 8 ASN HA 8 ASN HN 3.60 (# 709:10 Unique 2.85, 2.91 A)
&rst
ixpk= 709, nxpk= 10, iat= 118, 116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 THR HB 8 ASN HN 2.90 (# 710:10 Unique 2.18, 3.04 A)
&rst
ixpk= 710, nxpk= 10, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 23 LEU HB+ 8 ASN HN 3.60 (# 711:10 Unique 3.07, 4.44 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 368, 369,
&end
#
# 8 ASN HB+ 8 ASN HN 2.90 (# 712:10 Unique 2.19, 2.89 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 120, 121,
&end
#
# 8 ASN HB- 8 ASN HN 3.60 (# 713:10 Unique 2.19, 2.89 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 120, 121,
&end
#
# 23 LEU HB- 8 ASN HN 3.60 (# 714:10 Unique 3.07, 4.44 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 368, 369,
&end
#
# 7 THR MG2 8 ASN HN 3.60 (# 715:10 Unique 2.51, 4.15 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 108, 109, 110,
&end
#
# 0 AMB 10-2:716 8 ASN HN 3.60 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 354, 355, 356, 358, 359, 360, 373, 374, 375, 377,
378, 379,
&end
#
# 23 LEU MDY 8 ASN HN 5.60 (# 717:10 Unique 3.61, 5.94 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 8 ASN HN 7 THR HN 4.60 (# 718:10 Unique 4.09, 4.42 A)
&rst
ixpk= 718, nxpk= 10, iat= 116, 102, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 7 THR HA 7 THR HN 3.60 (# 719:10 Unique 2.76, 2.86 A)
&rst
ixpk= 719, nxpk= 10, iat= 104, 102, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:720 7 THR HN 2.90 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 92, 90,
&end
#
# 7 THR HB 7 THR HN 4.60 (# 721:10 Unique 3.10, 3.60 A)
&rst
ixpk= 721, nxpk= 10, iat= 106, 102, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 5 LYS HB+ 7 THR HN 5.60 (# 722:10 Unique 2.32, 4.56 A)
&rst
ixpk= 722, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 70, 71,
&end
#
# 5 LYS HG+ 7 THR HN 5.60 (# 723:10 Unique 2.31, 5.00 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 73, 74,
&end
#
# 6 THR MG2 7 THR HN 3.60 (# 724:10 Unique 3.20, 4.78 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 94, 95, 96,
&end
#
# 7 THR MG2 7 THR HN 3.60 (# 725:10 Unique 2.81, 4.17 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 108, 109, 110,
&end
#
# 0 AMB 10-2:726 5 LYS HN 3.60 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 57, 33,
&end
#
# 0 AMB 10-2:727 5 LYS HN 5.60 (# 727:10 Single Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 59, 60, 59, 60,
&end
#
# 5 LYS HB+ 5 LYS HN 5.60 (# 728:10 Unique 2.28, 3.14 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 70, 71,
&end
#
# 5 LYS HB- 5 LYS HN 5.60 (# 729:10 Unique 2.28, 3.14 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 70, 71,
&end
#
# 0 AMB 10-2:730 4 SER HN 4.60 (# 730:10 Single Ambig)
&rst
ixpk= 730, nxpk= 10, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 33, 57,
&end
#
# 0 AMB 10-2:731 4 SER HN 4.60 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 59, 60, 59, 60,
&end
#
# 2 ASP HA 3 ARG HN 3.60 (# 732:10 Unique 2.15, 2.54 A)
&rst
ixpk= 732, nxpk= 10, iat= 21, 31, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 ARG HA 3 ARG HN 3.60 (# 733:10 Unique 2.28, 2.83 A)
&rst
ixpk= 733, nxpk= 10, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:734 3 ARG HN 4.60 (# 734:10 Single Ambig)
&rst
ixpk= 734, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 35, 36, 8, 9,
&end
#
# 3 ARG HG+ 3 ARG HN 4.60 (# 735:10 Unique 2.02, 3.92 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 38, 39,
&end
#
# 3 ARG HB- 3 ARG HN 3.60 (# 736:10 Unique 2.20, 2.99 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 35, 36,
&end
#
# 3 ARG HG- 3 ARG HN 4.60 (# 737:10 Unique 2.02, 3.92 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 38, 39,
&end
#
# 2 ASP HA 2 ASP HN 4.60 (# 738:10 Unique 2.27, 2.82 A)
&rst
ixpk= 738, nxpk= 10, iat= 21, 19, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 1 GLU HA 2 ASP HN 3.60 (# 739:10 Unique 2.14, 2.75 A)
&rst
ixpk= 739, nxpk= 10, iat= 6, 19, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 2 ASP HB+ 2 ASP HN 4.60 (# 740:10 Unique 2.25, 3.17 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 23, 24,
&end
#
# 2 ASP HB- 2 ASP HN 3.60 (# 741:10 Unique 2.25, 3.17 A)
&rst
ixpk= 741, nxpk= 10, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 23, 24,
&end
#
# 14 MET HN 17 GLU HN 3.60 (# 742:10 Unique 4.23, 4.96 A)
&rst
ixpk= 742, nxpk= 10, iat= 220, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 GLY HN 17 GLU HN 3.60 (# 743:10 Unique 1.90, 3.06 A)
&rst
ixpk= 743, nxpk= 10, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 ASN HN 17 GLU HN 4.60 (# 744:10 Unique 4.24, 4.52 A)
&rst
ixpk= 744, nxpk= 10, iat= 271, 256, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 ASN HD2- 17 GLU HN 5.60 (# 745:10 Unique 4.96, 7.63 A)
&rst
ixpk= 745, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 280, 281,
&end
#
# 0 AMB 10-2:746 17 GLU HN 4.60 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 295, 299, 213,
&end
#
# 13 HIS HA 17 GLU HN 5.60 (# 747:10 Unique 4.25, 5.75 A)
&rst
ixpk= 747, nxpk= 10, iat= 205, 256, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 GLU HA 17 GLU HN 2.90 (# 748:10 Unique 2.76, 2.87 A)
&rst
ixpk= 748, nxpk= 10, iat= 258, 256, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 15 ASP HA 17 GLU HN 5.60 (# 749:10 Unique 3.69, 4.89 A)
&rst
ixpk= 749, nxpk= 10, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 16 GLY HA+ 17 GLU HN 3.60 (# 750:10 Unique 2.38, 3.10 A)
&rst
ixpk= 750, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252,
&end
#
# 16 GLY HA- 17 GLU HN 3.60 (# 751:10 Unique 2.38, 3.10 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252,
&end
#
# 0 AMB 10-2:752 17 GLU HN 4.60 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 241, 242, 241, 242,
&end
#
# 17 GLU HG+ 17 GLU HN 3.60 (# 753:10 Unique 2.10, 3.23 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 263, 264,
&end
#
# 17 GLU HG- 17 GLU HN 3.60 (# 754:10 Unique 2.10, 3.23 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 263, 264,
&end
#
# 17 GLU HB+ 17 GLU HN 3.60 (# 755:10 Unique 2.19, 3.12 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 260, 261,
&end
#
# 17 GLU HB- 17 GLU HN 2.90 (# 756:10 Unique 2.19, 3.12 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 260, 261,
&end
#
# 89 SER HN 88 ALA HN 4.60 (# 758:10 Unique 2.82, 3.62 A)
&rst
ixpk= 758, nxpk= 10, iat=1377,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 88 ALA HA 88 ALA HN 2.90 (# 759:10 Unique 2.28, 2.84 A)
&rst
ixpk= 759, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 87 ILE HA 88 ALA HN 3.60 (# 760:10 Unique 2.20, 2.22 A)
&rst
ixpk= 760, nxpk= 10, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 87 ILE HB 88 ALA HN 4.60 (# 761:10 Unique 3.87, 3.93 A)
&rst
ixpk= 761, nxpk= 10, iat=1352,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 88 ALA MB 88 ALA HN 2.90 (# 762:10 Unique 2.29, 3.26 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1371,1372,1373,
&end
#
# 87 ILE HG1+ 88 ALA HN 5.60 (# 763:10 Unique 4.23, 4.68 A)
&rst
ixpk= 763, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1358,1359,
&end
#
# 87 ILE QG2 88 ALA HN 3.60 (# 764:10 Unique 2.06, 3.01 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1354,1355,1356,
&end
#
# 31 TRP HZ2 31 TRP HE1 4.60 (# 765:10 Unique 2.82, 2.82 A)
&rst
ixpk= 765, nxpk= 10, iat= 500, 497, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 TRP HD1 31 TRP HE1 3.60 (# 766:10 Unique 2.57, 2.57 A)
&rst
ixpk= 766, nxpk= 10, iat= 495, 497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:767 31 TRP HE1 4.60 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 390, 391, 387, 388,
&end
#
# 10 TRP HZ2 10 TRP HE1 4.60 (# 768:10 Unique 2.82, 2.82 A)
&rst
ixpk= 768, nxpk= 10, iat= 157, 154, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ARG HN 33 ASN HD2+ 5.60 (# 770:10 Unique 1.91, 3.37 A)
&rst
ixpk= 770, nxpk= 10, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 531, 532,
&end
#
# 20 ARG HN 33 ASN HD2- 3.60 (# 771:10 Unique 1.91, 3.37 A)
&rst
ixpk= 771, nxpk= 10, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 531, 532,
&end
#
# 33 ASN HA 33 ASN HD2+ 4.60 (# 774:10 Unique 1.95, 2.89 A)
&rst
ixpk= 774, nxpk= 10, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 531, 532,
&end
#
# 33 ASN HA 33 ASN HD2- 5.60 (# 775:10 Unique 1.95, 2.89 A)
&rst
ixpk= 775, nxpk= 10, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 531, 532,
&end
#
# 19 PHE HA 33 ASN HD2+ 3.60 (# 776:10 Unique 1.97, 2.99 A)
&rst
ixpk= 776, nxpk= 10, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 531, 532,
&end
#
# 19 PHE HA 33 ASN HD2- 2.90 (# 777:10 Unique 1.97, 2.99 A)
&rst
ixpk= 777, nxpk= 10, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 531, 532,
&end
#
# 33 ASN HB+ 33 ASN HD2+ 3.60 (# 778:10 Unique 2.20, 3.44 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 526, 527,
igr2= 531, 532,
&end
#
# 33 ASN HB- 33 ASN HD2+ 2.90 (# 779:10 Unique 2.20, 3.44 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 526, 527,
igr2= 531, 532,
&end
#
# 33 ASN HB- 33 ASN HD2- 3.60 (# 780:10 Unique 2.20, 3.44 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 526, 527,
igr2= 531, 532,
&end
#
# 33 ASN HB+ 33 ASN HD2- 3.60 (# 781:10 Unique 2.20, 3.44 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 526, 527,
igr2= 531, 532,
&end
#
# 19 PHE HB+ 33 ASN HD2- 5.60 (# 782:10 Unique 1.95, 4.43 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 289, 290,
igr2= 531, 532,
&end
#
# 18 ASN HN 18 ASN HD2+ 5.60 (# 783:10 Unique 2.32, 4.62 A)
&rst
ixpk= 783, nxpk= 10, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 280, 281,
&end
#
# 18 ASN HB- 18 ASN HD2+ 3.60 (# 786:10 Unique 2.12, 3.27 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 275, 276,
igr2= 280, 281,
&end
#
# 18 ASN HB+ 18 ASN HD2+ 3.60 (# 787:10 Unique 2.12, 3.27 A)
&rst
ixpk= 787, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 275, 276,
igr2= 280, 281,
&end
#
# 18 ASN HB- 18 ASN HD2- 4.60 (# 788:10 Unique 2.12, 3.27 A)
&rst
ixpk= 788, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 275, 276,
igr2= 280, 281,
&end
#
# 18 ASN HB+ 18 ASN HD2- 4.60 (# 789:10 Unique 2.12, 3.27 A)
&rst
ixpk= 789, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 275, 276,
igr2= 280, 281,
&end
#
# 56 ASN HB+ 56 ASN HD2+ 3.60 (# 792:10 Unique 2.11, 3.24 A)
&rst
ixpk= 792, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 855, 856,
igr2= 860, 861,
&end
#
# 56 ASN HB- 56 ASN HD2+ 3.60 (# 793:10 Unique 2.11, 3.24 A)
&rst
ixpk= 793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 855, 856,
igr2= 860, 861,
&end
#
# 56 ASN HB- 56 ASN HD2- 3.60 (# 794:10 Unique 2.11, 3.24 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 855, 856,
igr2= 860, 861,
&end
#
# 56 ASN HB+ 56 ASN HD2- 4.60 (# 795:10 Unique 2.11, 3.24 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 855, 856,
igr2= 860, 861,
&end
#
# 81 ASN HB- 81 ASN HD2- 2.90 (# 798:10 Unique 2.11, 3.26 A)
&rst
ixpk= 798, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1251,1252,
igr2=1256,1257,
&end
#
# 81 ASN HB+ 81 ASN HD2- 2.90 (# 799:10 Unique 2.11, 3.26 A)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1251,1252,
igr2=1256,1257,
&end
#
# 81 ASN HB- 81 ASN HD2+ 3.60 (# 800:10 Unique 2.11, 3.26 A)
&rst
ixpk= 800, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1251,1252,
igr2=1256,1257,
&end
#
# 81 ASN HB+ 81 ASN HD2+ 4.60 (# 801:10 Unique 2.11, 3.26 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1251,1252,
igr2=1256,1257,
&end
#
# 8 ASN HB- 8 ASN HD2- 4.60 (# 802:10 Unique 2.11, 3.23 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 120, 121,
igr2= 125, 126,
&end
#
# 8 ASN HA 8 ASN HD2- 5.60 (# 803:10 Unique 2.05, 3.89 A)
&rst
ixpk= 803, nxpk= 10, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 125, 126,
&end
#
# 69 ARG HA 69 ARG HN 2.90 (# 816:10 Unique 2.27, 2.75 A)
&rst
ixpk= 816, nxpk= 10, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 69 ARG HB+ 69 ARG HN 2.90 (# 819:10 Unique 2.24, 2.93 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1048,1049,
&end
#
# 69 ARG HB+ 69 ARG HN 2.90 (# 820:10 Unique 2.24, 2.93 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1048,1049,
&end
#
# 77 LEU MDY 84 ILE HN 5.60 (# 822:10 Unique 4.73, 6.56 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1190,1191,1192,1194,1195,1196,
&end
#
# 81 ASN HB- 82 ARG HN 4.60 (# 823:10 Unique 4.13, 4.37 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:824 81 ASN HN 5.60 (# 824:10 Single Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
&end
#
# 81 ASN HA 80 ASP HN 5.60 (# 825:10 Unique 4.87, 4.98 A)
&rst
ixpk= 825, nxpk= 10, iat=1249,1235, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:826 80 ASP HN 4.60 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 886, 887, 869, 870,
&end
#
# 0 AMB 10-2:827 80 ASP HN 4.60 (# 827:10 Single Ambig)
&rst
ixpk= 827, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1223, 898, 899,1268,1269,
&end
#
# 81 ASN HA 79 VAL HN 5.60 (# 828:10 Preassigned 5.14, 5.30 A)
&rst
ixpk= 828, nxpk= 10, iat=1249,1219, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 76 THR HN 77 LEU HN 5.60 (# 829:10 Unique 4.41, 4.47 A)
&rst
ixpk= 829, nxpk= 10, iat=1167,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 78 ILE HN 77 LEU HN 4.60 (# 830:10 Unique 4.36, 4.47 A)
&rst
ixpk= 830, nxpk= 10, iat=1200,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 84 ILE HN 77 LEU HN 5.60 (# 831:10 Preassigned 3.96, 4.12 A)
&rst
ixpk= 831, nxpk= 10, iat=1300,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:832 77 LEU HN 4.60 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1304,1337,1338,
&end
#
# 75 HIS HD2 76 THR HN 4.60 (# 833:10 Unique 4.19, 5.53 A)
&rst
ixpk= 833, nxpk= 10, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 VAL HB 74 ILE HN 4.60 (# 834:10 Unique 2.84, 3.41 A)
&rst
ixpk= 834, nxpk= 10, iat= 981,1131, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 71 GLU HN 72 GLY HN 5.60 (# 835:10 Unique 1.90, 3.55 A)
&rst
ixpk= 835, nxpk= 10, iat=1090,1105, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:836 72 GLY HN 4.60 (# 836:10 Single Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1097,1098,1097,1098,
&end
#
# 72 GLY HN 71 GLU HN 5.60 (# 837:10 Unique 1.90, 3.55 A)
&rst
ixpk= 837, nxpk= 10, iat=1105,1090, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:838 0 AMB 10-1:838 3.60 (# 838:10 Double Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 818, 819,1017,1018,1017,1018,
igr2= 865,1004,
&end
#
# 46 ASP HB- 65 SER HN 5.60 (# 839:10 Unique 6.61, 9.86 A)
&rst
ixpk= 839, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 719, 720,
&end
#
# 76 THR HN 62 LYS HN 3.60 (# 840:10 Unique 2.53, 2.99 A)
&rst
ixpk= 840, nxpk= 10, iat=1167, 945, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 63 ALA HN 62 LYS HN 5.60 (# 841:10 Preassigned 4.39, 4.47 A)
&rst
ixpk= 841, nxpk= 10, iat= 967, 945, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 77 LEU HA 62 LYS HN 4.60 (# 842:10 Unique 3.60, 4.08 A)
&rst
ixpk= 842, nxpk= 10, iat=1183, 945, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:843 62 LYS HN 4.60 (# 843:10 Single Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1210,1211, 936, 937,
&end
#
# 0 AMB 10-2:844 61 ILE HN 4.60 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 905, 967, 645,
&end
#
# 0 AMB 10-2:845 61 ILE HN 5.60 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 945, 777,
&end
#
# 50 THR MG2 61 ILE HN 4.60 (# 846:10 Unique 3.61, 5.49 A)
&rst
ixpk= 846, nxpk= 10, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 769, 770, 771,
&end
#
# 60 TYR HB+ 60 TYR HN 4.60 (# 847:10 Unique 2.74, 3.47 A)
&rst
ixpk= 847, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 909, 910,
&end
#
# 54 ILE QD1 59 CYS HN 5.60 (# 848:10 Preassigned 5.73, 8.20 A)
&rst
ixpk= 848, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839, 840,
&end
#
# 54 ILE QD1 55 GLY HN 5.60 (# 850:10 Preassigned 4.33, 5.94 A)
&rst
ixpk= 850, nxpk= 10, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839, 840,
&end
#
# 60 TYR HN 52 PHE HN 5.60 (# 851:10 Preassigned 5.15, 5.75 A)
&rst
ixpk= 851, nxpk= 10, iat= 905, 794, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:852 52 PHE HN 2.90 (# 852:10 Single Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 781, 782, 781, 782,
&end
#
# 52 PHE HB- 52 PHE HN 4.60 (# 853:10 Unique 2.95, 3.66 A)
&rst
ixpk= 853, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 798, 799,
&end
#
# 60 TYR HB+ 52 PHE HN 3.60 (# 854:10 Preassigned 3.41, 5.65 A)
&rst
ixpk= 854, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 909, 910,
&end
#
# 59 CYS HG 52 PHE HN 4.60 (# 855:10 Unique 5.30, 6.75 A)
&rst
ixpk= 855, nxpk= 10, iat= 901, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 52 PHE HN 51 HIS HN 5.60 (# 858:10 Unique 3.44, 4.23 A)
&rst
ixpk= 858, nxpk= 10, iat= 794, 777, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 39 THR HB 51 HIS HN 5.60 (# 859:10 Unique 2.85, 3.67 A)
&rst
ixpk= 859, nxpk= 10, iat= 625, 777, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 41 GLY HA+ 51 HIS HN 5.60 (# 860:10 Unique 4.01, 6.06 A)
&rst
ixpk= 860, nxpk= 10, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:861 50 THR HN 4.60 (# 861:10 Single Ambig)
&rst
ixpk= 861, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 777, 945,
&end
#
# 60 TYR HD 50 THR HN 4.60 (# 862:10 Unique 3.24, 5.77 A)
&rst
ixpk= 862, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 913, 922,
&end
#
# 0 AMB 10-2:863 50 THR HN 5.60 (# 863:10 Single Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 936, 937, 939, 940, 941,
&end
#
# 44 VAL HN 49 GLU HN 4.60 (# 864:10 Unique 3.18, 3.92 A)
&rst
ixpk= 864, nxpk= 10, iat= 687, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 GLU HB+ 49 GLU HN 2.90 (# 865:10 Unique 2.51, 3.27 A)
&rst
ixpk= 865, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 752, 753,
&end
#
# 47 GLY HA- 48 THR HN 2.90 (# 866:10 Unique 2.15, 2.59 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 729, 730,
&end
#
# 44 VAL HA 47 GLY HN 5.60 (# 867:10 Unique 4.45, 4.86 A)
&rst
ixpk= 867, nxpk= 10, iat= 689, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 44 VAL HB 47 GLY HN 5.60 (# 868:10 Unique 3.80, 4.27 A)
&rst
ixpk= 868, nxpk= 10, iat= 691, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 GLY HA- 46 ASP HN 5.60 (# 869:10 Unique 4.87, 5.07 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 729, 730,
&end
#
# 31 TRP HN 30 VAL HN 5.60 (# 870:10 Unique 4.41, 4.46 A)
&rst
ixpk= 870, nxpk= 10, iat= 487, 471, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:871 0 AMB 10-1:871 5.60 (# 871:10 Double Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 444, 738,
igr2= 471, 652,
&end
#
# 0 AMB 10-2:872 30 VAL HN 4.60 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 463, 464, 578, 579,
&end
#
# 30 VAL MGX 30 VAL HN 4.60 (# 873:10 Unique 1.95, 3.67 A)
&rst
ixpk= 873, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 10-2:874 0 AMB 10-1:874 4.60 (# 874:10 Double Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1= 373, 374, 375, 377, 378, 379, 693, 694, 695, 697,
698, 699, 596, 597, 598, 600, 601, 602,
igr2= 471, 652,
&end
#
# 42 GLU HA 41 GLY HN 4.60 (# 875:10 Unique 4.70, 5.15 A)
&rst
ixpk= 875, nxpk= 10, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 38 GLU HG- 39 THR HN 4.60 (# 878:10 Unique 3.00, 4.57 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 613, 614,
&end
#
# 31 TRP HA 36 LYS HN 5.60 (# 879:10 Unique 3.97, 4.66 A)
&rst
ixpk= 879, nxpk= 10, iat= 489, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 31 TRP HA 35 LYS HN 5.60 (# 881:10 Unique 4.23, 5.56 A)
&rst
ixpk= 881, nxpk= 10, iat= 489, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:882 35 LYS HN 5.60 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 556, 557, 556, 557,
&end
#
# 31 TRP HB- 35 LYS HN 4.60 (# 883:10 Unique 3.24, 5.84 A)
&rst
ixpk= 883, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 491, 492,
&end
#
# 32 CYS HA 34 GLY HN 4.60 (# 884:10 Unique 3.47, 3.75 A)
&rst
ixpk= 884, nxpk= 10, iat= 513, 536, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 ASN HB+ 34 GLY HN 5.60 (# 886:10 Unique 3.90, 4.29 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 526, 527,
&end
#
# 0 AMB 10-2:887 33 ASN HN 5.60 (# 887:10 Single Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 531, 532, 543,
&end
#
# 21 ILE HA 33 ASN HN 3.60 (# 888:10 Unique 3.14, 3.59 A)
&rst
ixpk= 888, nxpk= 10, iat= 331, 522, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 PHE HA 33 ASN HN 4.60 (# 889:10 Unique 4.18, 4.85 A)
&rst
ixpk= 889, nxpk= 10, iat= 287, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:890 33 ASN HN 4.60 (# 890:10 Single Ambig)
&rst
ixpk= 890, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 289, 290, 515, 516, 491, 492,
&end
#
# 32 CYS HB- 33 ASN HN 4.60 (# 891:10 Unique 3.42, 4.16 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 515, 516,
&end
#
# 20 ARG HB+ 33 ASN HN 4.60 (# 892:10 Unique 3.37, 4.33 A)
&rst
ixpk= 892, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 309, 310,
&end
#
# 20 ARG HB- 33 ASN HN 5.60 (# 893:10 Unique 3.37, 4.33 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 309, 310,
&end
#
# 0 AMB 10-2:894 33 ASN HN 4.60 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 342, 343, 344, 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 10-2:895 32 CYS HN 4.60 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 339, 340, 591, 592, 591, 592, 575, 576,
&end
#
# 37 LEU MDY 32 CYS HN 4.60 (# 896:10 Unique 2.15, 5.43 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 596, 597, 598, 600, 601, 602,
&end
#
# 31 TRP HE3 31 TRP HN 4.60 (# 897:10 Preassigned 4.65, 5.57 A)
&rst
ixpk= 897, nxpk= 10, iat= 506, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 23 LEU HA 31 TRP HN 3.60 (# 898:10 Unique 2.53, 3.24 A)
&rst
ixpk= 898, nxpk= 10, iat= 366, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 22 VAL HB 31 TRP HN 3.60 (# 900:10 Unique 2.70, 3.53 A)
&rst
ixpk= 900, nxpk= 10, iat= 352, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB 10-2:901 31 TRP HN 4.60 (# 901:10 Single Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 371, 475, 569, 570, 339, 340,
&end
#
# 28 MET ME 28 MET HN 5.60 (# 902:10 Unique 3.66, 5.16 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 453, 454, 455,
&end
#
# 0 AMB 10-2:903 28 MET HN 5.60 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 405, 406, 371, 769, 770, 771, 475,
&end
#
# 24 GLU HB- 27 ALA HN 4.60 (# 904:10 Unique 2.31, 3.06 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 387, 388,
&end
#
# 26 ASP HB- 27 ALA HN 2.90 (# 905:10 Preassigned 3.02, 3.64 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 424, 425,
&end
#
# 0 AMB 10-2:906 27 ALA HN 5.60 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 402, 403, 402, 403,
&end
#
# 0 AMB 10-2:907 27 ALA HN 5.60 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 405, 406, 371, 475, 769, 770, 771,
&end
#
# 30 VAL MGY 24 GLU HN 4.60 (# 908:10 Unique 4.57, 6.30 A)
&rst
ixpk= 908, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 0 AMB 10-2:909 23 LEU HN 4.60 (# 909:10 Single Ambig)
&rst
ixpk= 909, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 473, 118,
&end
#
# 7 THR HB 23 LEU HN 5.60 (# 910:10 Unique 3.52, 4.39 A)
&rst
ixpk= 910, nxpk= 10, iat= 106, 364, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:911 22 VAL HN 4.60 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 522, 329,
&end
#
# 30 VAL HA 22 VAL HN 4.60 (# 912:10 Unique 4.09, 4.65 A)
&rst
ixpk= 912, nxpk= 10, iat= 473, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 TRP HB+ 22 VAL HN 3.60 (# 913:10 Unique 2.34, 3.33 A)
&rst
ixpk= 913, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 491, 492,
&end
#
# 21 ILE HB 22 VAL HN 4.60 (# 914:10 Preassigned 3.73, 4.18 A)
&rst
ixpk= 914, nxpk= 10, iat= 333, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:915 22 VAL HN 5.60 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 515, 516, 390, 391,
&end
#
# 0 AMB 10-2:916 22 VAL HN 5.60 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 339, 340, 368, 369,
&end
#
# 0 AMB 10-2:917 22 VAL HN 4.60 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 339, 340, 475, 371,
&end
#
# 30 VAL MGX 22 VAL HN 3.60 (# 918:10 Unique 3.19, 6.00 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 477, 478, 479, 481, 482, 483,
&end
#
# 20 ARG HN 21 ILE HN 5.60 (# 919:10 Unique 3.98, 4.47 A)
&rst
ixpk= 919, nxpk= 10, iat= 305, 329, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 TRP HE3 21 ILE HN 5.60 (# 920:10 Unique 4.28, 6.27 A)
&rst
ixpk= 920, nxpk= 10, iat= 163, 329, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:921 21 ILE HN 5.60 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 315, 316, 315, 316,
&end
#
# 0 AMB 10-2:922 21 ILE HN 4.60 (# 922:10 Single Ambig)
&rst
ixpk= 922, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 309, 310, 188, 189,
&end
#
# 20 ARG HG- 21 ILE HN 3.60 (# 923:10 Unique 2.17, 3.28 A)
&rst
ixpk= 923, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 312, 313,
&end
#
# 19 PHE HD 20 ARG HN 4.60 (# 924:10 Unique 3.00, 4.99 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 293, 301,
&end
#
# 33 ASN HA 20 ARG HN 4.60 (# 925:10 Unique 2.57, 3.07 A)
&rst
ixpk= 925, nxpk= 10, iat= 524, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ARG HG- 20 ARG HN 4.60 (# 926:10 Unique 2.99, 4.46 A)
&rst
ixpk= 926, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 312, 313,
&end
#
# 18 ASN HN 19 PHE HN 4.60 (# 927:10 Unique 4.21, 4.47 A)
&rst
ixpk= 927, nxpk= 10, iat= 271, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 MET HA 16 GLY HN 4.60 (# 928:10 Unique 3.68, 5.47 A)
&rst
ixpk= 928, nxpk= 10, iat= 222, 249, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:929 16 GLY HN 4.60 (# 929:10 Single Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 241, 242, 241, 242,
&end
#
# 0 AMB 10-2:930 15 ASP HN 4.60 (# 930:10 Single Ambig)
&rst
ixpk= 930, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 241, 242, 241, 242,
&end
#
# 0 AMB 10-2:931 14 MET HN 4.60 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 207, 208, 241, 242, 241, 242,
&end
#
# 10 TRP HD1 11 VAL HN 5.60 (# 933:10 Unique 2.20, 4.09 A)
&rst
ixpk= 933, nxpk= 10, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 86 GLU HA 11 VAL HN 5.60 (# 934:10 Unique 4.40, 5.27 A)
&rst
ixpk= 934, nxpk= 10, iat=1335, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:935 9 THR HN 5.60 (# 935:10 Single Ambig)
&rst
ixpk= 935, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1361,1362,1363, 354, 355, 356, 358, 359, 360, 335,
336, 337,
&end
#
# 10 TRP HZ3 8 ASN HN 5.60 (# 936:10 Unique 4.96,10.56 A)
&rst
ixpk= 936, nxpk= 10, iat= 161, 116, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 5 LYS HA 5 LYS HN 4.60 (# 937:10 Unique 2.27, 2.88 A)
&rst
ixpk= 937, nxpk= 10, iat= 68, 66, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 1 GLU HB+ 2 ASP HN 4.60 (# 938:10 Unique 2.06, 3.88 A)
&rst
ixpk= 938, nxpk= 10, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 8, 9,
&end
#
# 0 AMB 10-2:939 31 TRP HE1 4.60 (# 939:10 Single Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 463, 464, 390, 391,
&end
#
# 0 AMB 10-2:940 31 TRP HE1 4.60 (# 940:10 Single Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 463, 464, 578, 579,
&end
#
# 77 LEU HN 10 TRP HE1 4.60 (# 941:10 Unique 3.84, 7.53 A)
&rst
ixpk= 941, nxpk= 10, iat=1181, 154, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:942 10 TRP HE1 3.60 (# 942:10 Single Ambig)
&rst
ixpk= 942, nxpk= 10, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1337,1338,1340,1341,1304,
&end
#
# 84 ILE QG2 10 TRP HE1 5.60 (# 943:10 Unique 2.40, 4.29 A)
&rst
ixpk= 943, nxpk= 10, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1306,1307,1308,
&end
#
# 0 AMB 10-2:944 10 TRP HE1 5.60 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=1185,1186, 477, 478, 479, 481, 482, 483,
&end
#
# 8 ASN HA 8 ASN HD2+ 5.60 (# 945:10 Unique 2.05, 3.89 A)
&rst
ixpk= 945, nxpk= 10, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 125, 126,
&end
#
# 0 AMB 10-2:946 0 AMB 10-1:946 5.60 (# 946:10 Double Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 120, 121,1340,1341,
igr2= 125, 126, 125, 126,
&end
#
# 0 AMB 10-2:947 0 AMB 10-1:947 5.60 (# 947:10 Double Ambig)
&rst
ixpk= 947, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.18, r4=10.68,
igr1= 408, 409, 408, 409, 120, 121,
igr2= 125, 126, 125, 126, 125, 126,
&end
#
# 0 AMB 10-2:948 8 ASN HD2- 4.60 (# 948:10 Single Ambig)
&rst
ixpk= 948, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 120, 121,1340,1341,
igr2= 125, 126,
&end
#
# 18 ASN HN 18 ASN HD2- 5.60 (# 949:10 Unique 2.32, 4.62 A)
&rst
ixpk= 949, nxpk= 10, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 280, 281,
&end
#
# 19 PHE HB+ 33 ASN HD2+ 5.60 (# 950:10 Unique 1.95, 4.43 A)
&rst
ixpk= 950, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 289, 290,
igr2= 531, 532,
&end
#
# 81 ASN HA 81 ASN HD2- 5.60 (# 951:10 Unique 2.22, 3.89 A)
&rst
ixpk= 951, nxpk= 10, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1256,1257,
&end
#
# 0 AMB 10-2:952 81 ASN HN 5.60 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=1268,1269,1268,1269, 909, 910,1223, 898, 899,
&end
#
# 58 ASP HN 80 ASP HN 4.60 (# 953:10 Unique 3.46, 3.79 A)
&rst
ixpk= 953, nxpk= 10, iat= 882,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:954 80 ASP HN 4.60 (# 954:10 Single Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1206,1207,1208,1204,
&end
#
# 61 ILE QG2 77 LEU HN 5.60 (# 955:10 Preassigned 4.22, 5.93 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 932, 933, 934,
&end
#
# 0 AMB 10-2:956 75 HIS HN 5.60 (# 956:10 Single Ambig)
&rst
ixpk= 956, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1141,1142,1122,1123, 936, 937,
&end
#
# 0 AMB 10-2:957 76 THR HN 5.60 (# 957:10 Single Ambig)
&rst
ixpk= 957, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 952, 953, 952, 953,
&end
#
# 62 LYS HB- 76 THR HN 4.60 (# 958:10 Unique 3.17, 4.92 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 949, 950,
&end
#
# 0 AMB 10-2:959 76 THR HN 5.60 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1118,1119,1120,1213,1214,1215,
&end
#
# 73 ILE QG2 75 HIS HN 5.60 (# 960:10 Unique 2.68, 4.03 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1118,1119,1120,
&end
#
# 63 ALA HA 74 ILE HN 5.60 (# 961:10 Unique 3.25, 3.76 A)
&rst
ixpk= 961, nxpk= 10, iat= 969,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 71 GLU HB+ 72 GLY HN 4.60 (# 962:10 Unique 2.09, 4.07 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1094,1095,
&end
#
# 66 SER HA 66 SER HN 4.60 (# 963:10 Unique 2.28, 2.74 A)
&rst
ixpk= 963, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 73 ILE HA 66 SER HN 4.60 (# 964:10 Unique 2.92, 3.78 A)
&rst
ixpk= 964, nxpk= 10, iat=1114,1004, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 ASN HB- 57 HIS HN 4.60 (# 965:10 Unique 3.00, 4.08 A)
&rst
ixpk= 965, nxpk= 10, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 855, 856,
&end
#
# 0 AMB 10-2:966 65 SER HN 5.60 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1070, 729, 730,1107,1108,
&end
#
# 6 THR MG2 8 ASN HN 5.60 (# 967:10 Unique 5.18, 7.10 A)
&rst
ixpk= 967, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 94, 95, 96,
&end
#
# 54 ILE HN 55 GLY HN 5.60 (# 968:10 Unique 1.93, 2.58 A)
&rst
ixpk= 968, nxpk= 10, iat= 825, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:969 52 PHE HN 5.60 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 896, 750,
&end
#
# 59 CYS HB- 52 PHE HN 5.60 (# 970:10 Preassigned 3.97, 5.19 A)
&rst
ixpk= 970, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 898, 899,
&end
#
# 64 VAL MGY 48 THR HN 5.60 (# 971:10 Unique 7.44, 9.40 A)
&rst
ixpk= 971, nxpk= 10, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 78 ILE QD1 62 LYS HN 5.60 (# 972:10 Preassigned 4.72, 5.53 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,1215,
&end
#
# 0 AMB 10-2:973 79 VAL HN 3.60 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1188,1210,1211,
&end
#
# 50 THR MG2 41 GLY HN 5.60 (# 974:10 Unique 2.84, 6.36 A)
&rst
ixpk= 974, nxpk= 10, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 769, 770, 771,
&end
#
# 39 THR HN 40 ALA HN 4.60 (# 975:10 Unique 4.29, 4.38 A)
&rst
ixpk= 975, nxpk= 10, iat= 621, 635, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:976 40 ALA HN 4.60 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 647, 648, 796,
&end
#
# 25 LYS HA 27 ALA HN 5.60 (# 977:10 Unique 3.50, 3.93 A)
&rst
ixpk= 977, nxpk= 10, iat= 400, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 24 GLU HN 25 LYS HN 5.60 (# 978:10 Preassigned 4.31, 4.50 A)
&rst
ixpk= 978, nxpk= 10, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:979 25 LYS HN 4.60 (# 979:10 Single Ambig)
&rst
ixpk= 979, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 92, 422, 90,
&end
#
# 25 LYS HN 24 GLU HN 5.60 (# 980:10 Unique 4.31, 4.50 A)
&rst
ixpk= 980, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 22 VAL MGY 23 LEU HN 2.90 (# 981:10 Unique 2.05, 4.53 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 10-2:982 21 ILE HN 5.60 (# 982:10 Single Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 536, 364,
&end
#
# 20 ARG HB+ 21 ILE HN 4.60 (# 983:10 Unique 3.29, 4.12 A)
&rst
ixpk= 983, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 309, 310,
&end
#
# 0 AMB 10-2:984 21 ILE HN 4.60 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
179, 180,
&end
#
# 9 THR MG2 21 ILE HN 4.60 (# 985:10 Unique 2.88, 4.40 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 136, 137, 138,
&end
#
# 19 PHE HN 20 ARG HN 4.60 (# 986:10 Preassigned 4.14, 4.43 A)
&rst
ixpk= 986, nxpk= 10, iat= 285, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 ASN HD2+ 20 ARG HN 4.60 (# 987:10 Unique 1.91, 3.37 A)
&rst
ixpk= 987, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 531, 532,
&end
#
# 17 GLU HA 16 GLY HN 5.60 (# 988:10 Unique 4.52, 5.21 A)
&rst
ixpk= 988, nxpk= 10, iat= 258, 249, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 GLU HB+ 16 GLY HN 5.60 (# 989:10 Unique 3.91, 5.86 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 260, 261,
&end
#
# 12 LEU HN 13 HIS HN 4.60 (# 990:10 Unique 3.85, 4.14 A)
&rst
ixpk= 990, nxpk= 10, iat= 184, 203, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 PHE HB+ 12 LEU HN 3.60 (# 991:10 Unique 2.38, 4.63 A)
&rst
ixpk= 991, nxpk= 10, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 289, 290,
&end
#
# 6 THR HN 7 THR HN 5.60 (# 992:10 Unique 2.01, 2.82 A)
&rst
ixpk= 992, nxpk= 10, iat= 88, 102, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:993 7 THR HN 5.60 (# 993:10 Single Ambig)
&rst
ixpk= 993, nxpk= 10, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 408, 409, 408, 409, 120, 121, 38, 39,
&end
#
# 5 LYS HG+ 5 LYS HN 5.60 (# 995:10 Unique 1.95, 3.71 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 73, 74,
&end
#
# 2 ASP HB+ 3 ARG HN 4.60 (# 996:10 Unique 2.24, 3.98 A)
&rst
ixpk= 996, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 23, 24,
&end
#
# 0 AMB 10-2:997 2 ASP HN 5.60 (# 997:10 Single Ambig)
&rst
ixpk= 997, nxpk= 10, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 11, 12, 11, 12,
&end
#
# 0 AMB 10-2:998 79 VAL HN 3.60 (# 998:10 Single Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1265,1266,1265,1266,
&end
#
# 86 GLU HA 10 TRP HE1 5.60 (# 999:10 Unique 2.52, 6.21 A)
&rst
ixpk= 999, nxpk= 10, iat=1335, 154, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 10-2:1000 9 THR HN 4.60 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 354, 355, 356, 358, 359, 360,1354,1355,1356,
&end
#
# 57 HIS HD2 56 ASN HN 4.60 (# 1001:10 Unique 3.13, 5.96 A)
&rst
ixpk= 1001, nxpk= 10, iat= 878, 851, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:1002 16 GLY HN 5.60 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 216, 280, 281,
&end
#
# 0 AMB 10-2:1003 76 THR HN 5.60 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 936, 937, 939, 940, 941,
&end
#
# 0 AMB 10-2:1004 0 AMB 10-1:1004 5.60 (# 1004:10 Double Ambig)
&rst
ixpk= 1004, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=1320,1321, 729, 730,
igr2=1300, 967,
&end
#
# 0 AMB 10-2:1005 0 AMB 10-1:1005 3.60 (# 1005:10 Double Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1107,1108, 846, 847,
igr2=1004, 865,
&end
#
# 0 AMB 10-2:1006 33 ASN HN 5.60 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 312, 313, 550, 551,
&end
#
# 0 AMB 10-2:1007 33 ASN HN 5.60 (# 1007:10 Single Ambig)
&rst
ixpk= 1007, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 312, 313, 594,
&end
#
# 0 AMB 10-2:1008 31 TRP HN 4.60 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 354, 355, 356, 358, 359, 360, 627, 628, 629,
&end
#
# 25 LYS HG+ 26 ASP HN 4.60 (# 1009:10 Unique 4.13, 4.68 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 405, 406,
&end
#
# 0 AMB 10-2:1011 22 VAL HN 2.90 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 354, 355, 356, 358, 359, 360, 342, 343, 344,
&end
#
# 0 AMB 10-2:1012 0 AMB 10-1:1012 4.60 (# 1012:10 Double Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 572, 573, 693, 694, 695, 697, 698, 699, 939, 940,
941,
igr2= 471, 652,
&end
#
# 39 THR MG2 53 SER HN 5.60 (# 1013:10 Unique 5.27, 6.55 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 627, 628, 629,
&end
#
# 54 ILE HB 55 GLY HN 5.60 (# 1014:10 Unique 1.95, 3.62 A)
&rst
ixpk= 1014, nxpk= 10, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 54 ILE HG1+ 55 GLY HN 5.60 (# 1015:10 Unique 4.05, 4.57 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 835, 836,
&end
#
# 11 VAL MGX 18 ASN HD2+ 5.60 (# 1016:10 Unique 1.97, 4.91 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 280, 281,
&end
#
# 11 VAL MGX 18 ASN HD2- 5.60 (# 1017:10 Unique 1.97, 4.91 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 280, 281,
&end
#
# 19 PHE HD 33 ASN HD2+ 3.60 (# 1018:10 Unique 1.95, 4.39 A)
&rst
ixpk= 1018, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 293, 301,
igr2= 531, 532,
&end
#
# 19 PHE HD 33 ASN HD2- 3.60 (# 1019:10 Unique 1.95, 4.39 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 293, 301,
igr2= 531, 532,
&end
#
# 10 TRP HD1 77 LEU HN 5.60 (# 1021:10 Unique 5.57, 7.36 A)
&rst
ixpk= 1021, nxpk= 10, iat= 152,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 75 HIS HB+ 8 ASN HD2- 5.60 (# 1022:10 Unique 3.09, 6.06 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1154,1155,
igr2= 125, 126,
&end
#
# 14 MET HN 19 PHE HN 4.60 (# 1024:10 Unique 3.87, 4.59 A)
&rst
ixpk= 1024, nxpk= 10, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 VAL HA 48 THR HN 4.60 (# 1025:10 Preassigned 6.63, 7.28 A)
&rst
ixpk= 1025, nxpk= 10, iat= 979, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 TYR HA 52 PHE HN 3.60 (# 1026:10 Preassigned 3.25, 3.89 A)
&rst
ixpk= 1026, nxpk= 10, iat= 907, 794, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
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