NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
6064 |
1ie5   |
5044 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 12 PRO HB- 12 PRO HA 3.50 (# 97:20 Preassigned 2.24, 2.51 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 183, 184,
&end
#
# 0 AMB 20-3:98 99 THR HA 5.00 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 245, 246, 247,1498,1499,1500,
&end
#
# 100 ILE HN 99 THR HA 5.00 (# 99:20 Preassigned 2.16, 2.21 A)
&rst
ixpk= 99, nxpk= 20, iat=1485,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 THR MG2 99 THR HA 3.50 (# 100:20 Preassigned 2.63, 3.24 A)
&rst
ixpk= 100, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1477,1478,1479,
&end
#
# 0 AMB 20-3:101 99 THR HA 5.00 (# 101:20 Single Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1495,1496,1301,1302,1465,1466,1467,
&end
#
# 39 GLY HA+ 12 PRO HA 5.00 (# 102:20 Unique 2.20, 2.53 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 560,
&end
#
# 24 THR HN 24 THR HA 5.00 (# 103:20 Unique 2.83, 2.91 A)
&rst
ixpk= 103, nxpk= 20, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR MG2 24 THR HA 3.50 (# 104:20 Unique 2.27, 3.03 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 364, 365, 366,
&end
#
# 25 ALA HN 24 THR HA 2.70 (# 105:20 Unique 2.20, 2.30 A)
&rst
ixpk= 105, nxpk= 20, iat= 372, 360, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 24 THR HB 24 THR HA 5.00 (# 108:20 Unique 3.02, 3.04 A)
&rst
ixpk= 108, nxpk= 20, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 PHE HN 24 THR HA 3.50 (# 111:20 Unique 2.95, 3.26 A)
&rst
ixpk= 111, nxpk= 20, iat=1578, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:114 20 THR HA 3.50 (# 114:20 Single Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 307, 296, 297,
&end
#
# 21 MET HN 20 THR HA 3.50 (# 116:20 Unique 2.09, 2.19 A)
&rst
ixpk= 116, nxpk= 20, iat= 317, 305, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR MG2 20 THR HA 3.50 (# 118:20 Unique 2.37, 3.11 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 309, 310, 311,
&end
#
# 15 ARG HN 14 VAL HA 2.70 (# 121:20 Preassigned 2.12, 2.19 A)
&rst
ixpk= 121, nxpk= 20, iat= 217, 203, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 37 ALA HA 14 VAL HA 3.50 (# 122:20 Preassigned 2.04, 2.16 A)
&rst
ixpk= 122, nxpk= 20, iat= 537, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 VAL HB 14 VAL HA 3.50 (# 123:20 Preassigned 2.28, 2.38 A)
&rst
ixpk= 123, nxpk= 20, iat= 205, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:124 14 VAL HA 3.50 (# 124:20 Single Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 545, 523,
&end
#
# 87 CYS HN 86 ILE HA 2.70 (# 127:20 Unique 2.16, 2.22 A)
&rst
ixpk= 127, nxpk= 20, iat=1310,1293, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:128 0 AMB 20-2:128 2.70 (# 128:20 Double Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 207, 208, 209, 211, 212, 213,1297,1298,1299,
igr2= 203,1293,
&end
#
# 0 AMB 20-3:131 0 AMB 20-2:131 5.00 (# 131:20 Double Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 539, 540, 541,1330,1331,
igr2= 203,1293,
&end
#
# 49 LYS HN 48 THR HA 2.70 (# 134:20 Unique 2.08, 2.16 A)
&rst
ixpk= 134, nxpk= 20, iat= 710, 698, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 48 THR HB 48 THR HA 3.50 (# 136:20 Unique 2.35, 2.45 A)
&rst
ixpk= 136, nxpk= 20, iat= 700, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:137 48 THR HA 3.50 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 790, 791, 702, 703, 704,
&end
#
# 53 PRO HA 48 THR HA 3.50 (# 138:20 Unique 2.31, 2.66 A)
&rst
ixpk= 138, nxpk= 20, iat= 776, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 GLU HA 101 HIS HA 5.00 (# 142:20 Unique 2.28, 2.44 A)
&rst
ixpk= 142, nxpk= 20, iat=1257,1506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 HIS QB 101 HIS HA 3.50 (# 144:20 Unique 2.28, 2.70 A)
&rst
ixpk= 144, nxpk= 20, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1508,1509,
&end
#
# 102 LEU HN 101 HIS HA 2.70 (# 145:20 Preassigned 2.15, 2.19 A)
&rst
ixpk= 145, nxpk= 20, iat=1521,1506, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 84 GLU HA 101 HIS HA 5.00 (# 147:20 Unique 2.28, 2.44 A)
&rst
ixpk= 147, nxpk= 20, iat=1257,1506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 ASN HN 90 GLU HA 2.70 (# 153:20 Preassigned 2.15, 2.22 A)
&rst
ixpk= 153, nxpk= 20, iat=1364,1351, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 95 GLU HA 90 GLU HA 3.50 (# 154:20 Preassigned 2.13, 2.19 A)
&rst
ixpk= 154, nxpk= 20, iat=1419,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:155 90 GLU HA 3.50 (# 155:20 Single Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1424,1425,1356,1357,
&end
#
# 0 AMB 20-3:156 90 GLU HA 2.70 (# 156:20 Single Ambig)
&rst
ixpk= 156, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 180, 181,1353,1354,1421,1422,
&end
#
# 72 LEU HN 71 GLU HA 2.70 (# 160:20 Unique 2.07, 2.18 A)
&rst
ixpk= 160, nxpk= 20, iat=1056,1043, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 71 GLU QB 71 GLU HA 3.50 (# 161:20 Unique 2.35, 2.74 A)
&rst
ixpk= 161, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 34 ALA MB 71 GLU HA 5.00 (# 162:20 Unique 2.05, 2.84 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 507, 508, 509,
&end
#
# 34 ALA HA 71 GLU HA 3.50 (# 163:20 Unique 2.17, 2.65 A)
&rst
ixpk= 163, nxpk= 20, iat= 505,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG HN 35 CYS HA 3.50 (# 168:20 Unique 2.07, 2.39 A)
&rst
ixpk= 168, nxpk= 20, iat= 251, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ASP HN 35 CYS HA 3.50 (# 169:20 Unique 2.19, 2.28 A)
&rst
ixpk= 169, nxpk= 20, iat= 523, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 ALA MB 35 CYS HA 5.00 (# 170:20 Preassigned 4.26, 4.78 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 245, 246, 247,
&end
#
# 35 CYS HB- 35 CYS HA 3.50 (# 173:20 Preassigned 2.41, 2.77 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 517, 518,
&end
#
# 21 MET HB2 102 LEU HA 3.50 (# 177:20 Unique 2.50, 2.92 A)
&rst
ixpk= 177, nxpk= 20, iat= 321,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HN 36 ASP HA 2.70 (# 179:20 Unique 2.14, 2.25 A)
&rst
ixpk= 179, nxpk= 20, iat= 535, 525, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 36 ASP HB3 36 ASP HA 3.50 (# 180:20 Unique 2.31, 2.40 A)
&rst
ixpk= 180, nxpk= 20, iat= 528, 525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 LYS HN 102 LEU HA 2.70 (# 182:20 Unique 2.18, 2.24 A)
&rst
ixpk= 182, nxpk= 20, iat=1540,1523, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:183 102 LEU HA 3.50 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
&end
#
# 10 VAL HN 9 ASN HA 2.70 (# 184:20 Unique 2.14, 2.28 A)
&rst
ixpk= 184, nxpk= 20, iat= 146, 134, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 9 ASN HN 9 ASN HA 3.50 (# 185:20 Preassigned 2.37, 2.86 A)
&rst
ixpk= 185, nxpk= 20, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:186 9 ASN HA 2.70 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 136, 137, 37, 38,
&end
#
# 9 ASN HD21 9 ASN HA 5.00 (# 187:20 Unique 3.67, 4.58 A)
&rst
ixpk= 187, nxpk= 20, iat= 141, 134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLU HN 59 ASN HA 3.50 (# 189:20 Unique 2.12, 2.19 A)
&rst
ixpk= 189, nxpk= 20, iat= 872, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ASN HN 59 ASN HA 3.50 (# 190:20 Preassigned 2.92, 2.94 A)
&rst
ixpk= 190, nxpk= 20, iat= 858, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ASN HB+ 59 ASN HA 3.50 (# 191:20 Preassigned 2.39, 2.73 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 862, 863,
&end
#
# 59 ASN HB- 59 ASN HA 3.50 (# 192:20 Preassigned 2.39, 2.73 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 862, 863,
&end
#
# 52 GLU HB2 52 GLU HA 3.50 (# 193:20 Preassigned 2.26, 2.32 A)
&rst
ixpk= 193, nxpk= 20, iat= 755, 753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 PRO HD+ 52 GLU HA 2.70 (# 194:20 Unique 2.16, 2.43 A)
&rst
ixpk= 194, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 767, 768,
&end
#
# 53 PRO HD- 52 GLU HA 2.70 (# 195:20 Unique 2.16, 2.43 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 767, 768,
&end
#
# 52 GLU HB3 52 GLU HA 3.50 (# 196:20 Preassigned 2.52, 2.59 A)
&rst
ixpk= 196, nxpk= 20, iat= 756, 753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 ASP HA 38 ASP HA 5.00 (# 199:20 Unique 4.25, 4.68 A)
&rst
ixpk= 199, nxpk= 20, iat=1013, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HN 38 ASP HA 3.50 (# 200:20 Unique 2.93, 2.97 A)
&rst
ixpk= 200, nxpk= 20, iat= 545, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLY HN 38 ASP HA 2.70 (# 201:20 Unique 1.99, 2.14 A)
&rst
ixpk= 201, nxpk= 20, iat= 557, 547, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 38 ASP QB 38 ASP HA 2.70 (# 202:20 Preassigned 2.28, 2.67 A)
&rst
ixpk= 202, nxpk= 20, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 549, 550,
&end
#
# 0 AMB 20-3:210 0 AMB 20-2:210 3.50 (# 210:20 Double Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 770, 771, 755,
igr2= 767, 768, 767, 768,
&end
#
# 45 MET HA 89 ALA HA 3.50 (# 217:20 Preassigned 2.01, 2.09 A)
&rst
ixpk= 217, nxpk= 20, iat= 643,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 GLU HN 89 ALA HA 2.70 (# 218:20 Preassigned 2.14, 2.19 A)
&rst
ixpk= 218, nxpk= 20, iat=1349,1341, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 89 ALA MB 89 ALA HA 3.50 (# 220:20 Preassigned 2.35, 2.65 A)
&rst
ixpk= 220, nxpk= 20, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 86 ILE HN 85 TYR HA 3.50 (# 246:20 Unique 2.29, 2.32 A)
&rst
ixpk= 246, nxpk= 20, iat=1291,1272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HN 47 TRP HA 2.70 (# 247:20 Unique 2.17, 2.29 A)
&rst
ixpk= 247, nxpk= 20, iat= 696, 674, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 47 TRP HB2 47 TRP HA 3.50 (# 249:20 Unique 2.56, 2.57 A)
&rst
ixpk= 249, nxpk= 20, iat= 676, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HB3 47 TRP HA 3.50 (# 250:20 Unique 2.17, 2.22 A)
&rst
ixpk= 250, nxpk= 20, iat= 677, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:251 47 TRP HA 3.50 (# 251:20 Single Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 672,1320,
&end
#
# 75 LYS HA 30 SER HA 3.50 (# 253:20 Unique 2.43, 2.95 A)
&rst
ixpk= 253, nxpk= 20, iat=1115, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 VAL MG2 30 SER HA 3.50 (# 254:20 Preassigned 3.27, 4.43 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 464, 465, 466,
&end
#
# 31 VAL HN 30 SER HA 3.50 (# 255:20 Preassigned 2.19, 2.25 A)
&rst
ixpk= 255, nxpk= 20, iat= 454, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 SER QB 30 SER HA 2.70 (# 256:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 256, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 447, 448,
&end
#
# 0 AMB 20-3:257 30 SER HA 3.50 (# 257:20 Single Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 443,1157,
&end
#
# 0 AMB 20-3:258 63 TYR HA 2.70 (# 258:20 Single Ambig)
&rst
ixpk= 258, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 945,1113,
&end
#
# 63 TYR QB 63 TYR HA 3.50 (# 260:20 Preassigned 2.37, 2.46 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 928, 929,
&end
#
# 45 MET HG- 45 MET HA 5.00 (# 262:20 Preassigned 3.68, 3.95 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 649,
&end
#
# 96 GLN HN 95 GLU HA 3.50 (# 264:20 Unique 2.15, 2.21 A)
&rst
ixpk= 264, nxpk= 20, iat=1432,1419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 THR HN 45 MET HA 2.70 (# 266:20 Preassigned 2.23, 2.30 A)
&rst
ixpk= 266, nxpk= 20, iat= 658, 643, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 89 ALA HA 45 MET HA 3.50 (# 268:20 Preassigned 2.01, 2.09 A)
&rst
ixpk= 268, nxpk= 20, iat=1341, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HB2 45 MET HA 3.50 (# 269:20 Preassigned 2.29, 2.33 A)
&rst
ixpk= 269, nxpk= 20, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA HN 22 ASN HA 2.70 (# 271:20 Preassigned 2.28, 2.49 A)
&rst
ixpk= 271, nxpk= 20, iat= 348, 336, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 22 ASN QB 22 ASN HA 3.50 (# 273:20 Unique 2.29, 2.51 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 338, 339,
&end
#
# 0 AMB 20-3:274 97 ASP HA 5.00 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1339,1320,
&end
#
# 88 ILE HA 97 ASP HA 3.50 (# 275:20 Unique 2.23, 2.38 A)
&rst
ixpk= 275, nxpk= 20, iat=1322,1451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:276 97 ASP HA 2.70 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 207, 208, 209, 211, 212, 213,1333,1334,1335,
&end
#
# 98 ALA HN 97 ASP HA 2.70 (# 277:20 Unique 2.29, 2.34 A)
&rst
ixpk= 277, nxpk= 20, iat=1461,1451, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 83 ALA MB 83 ALA HA 2.70 (# 278:20 Preassigned 2.36, 2.69 A)
&rst
ixpk= 278, nxpk= 20, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1249,1250,1251,
&end
#
# 97 ASP HB+ 97 ASP HA 3.50 (# 279:20 Unique 2.37, 2.47 A)
&rst
ixpk= 279, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1453,1454,
&end
#
# 97 ASP HB- 97 ASP HA 2.70 (# 280:20 Unique 2.37, 2.47 A)
&rst
ixpk= 280, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1453,1454,
&end
#
# 34 ALA MB 34 ALA HA 2.70 (# 281:20 Preassigned 2.37, 2.70 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 507, 508, 509,
&end
#
# 35 CYS HN 34 ALA HA 5.00 (# 282:20 Preassigned 2.14, 2.18 A)
&rst
ixpk= 282, nxpk= 20, iat= 513, 505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HN 37 ALA HA 2.70 (# 285:20 Preassigned 2.16, 2.29 A)
&rst
ixpk= 285, nxpk= 20, iat= 545, 537, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 VAL HA 37 ALA HA 2.70 (# 287:20 Preassigned 2.04, 2.16 A)
&rst
ixpk= 287, nxpk= 20, iat= 203, 537, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 37 ALA MB 37 ALA HA 2.70 (# 288:20 Preassigned 2.36, 2.62 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 539, 540, 541,
&end
#
# 69 GLY HN 69 GLY HA+ 5.00 (# 331:20 Preassigned 2.20, 2.57 A)
&rst
ixpk= 331, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 95 GLU HN 94 GLY HA+ 2.70 (# 335:20 Unique 2.26, 2.55 A)
&rst
ixpk= 335, nxpk= 20, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1412,1413,
&end
#
# 94 GLY HN 94 GLY HA+ 5.00 (# 336:20 Unique 2.75, 2.82 A)
&rst
ixpk= 336, nxpk= 20, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1412,1413,
&end
#
# 51 GLY HN 51 GLY HA+ 3.50 (# 342:20 Unique 2.30, 2.74 A)
&rst
ixpk= 342, nxpk= 20, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 746, 747,
&end
#
# 52 GLU HN 48 THR HB 5.00 (# 407:20 Unique 2.32, 2.87 A)
&rst
ixpk= 407, nxpk= 20, iat= 751, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 THR MG2 48 THR HB 3.50 (# 409:20 Unique 2.40, 2.67 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 702, 703, 704,
&end
#
# 0 AMB 20-3:423 44 THR HB 3.50 (# 423:20 Single Ambig)
&rst
ixpk= 423, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 629, 623,
&end
#
# 20 THR MG2 20 THR HB 3.50 (# 425:20 Unique 2.41, 2.67 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 309, 310, 311,
&end
#
# 20 THR HN 20 THR HB 5.00 (# 426:20 Unique 2.66, 2.81 A)
&rst
ixpk= 426, nxpk= 20, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 THR HA 20 THR HB 5.00 (# 427:20 Unique 3.03, 3.05 A)
&rst
ixpk= 427, nxpk= 20, iat= 305, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:431 44 THR HB 3.50 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1349, 641,
&end
#
# 44 THR HN 44 THR HB 5.00 (# 432:20 Unique 2.42, 2.58 A)
&rst
ixpk= 432, nxpk= 20, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 THR MG2 44 THR HB 2.70 (# 433:20 Unique 2.42, 2.68 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 633, 634, 635,
&end
#
# 70 SER HA 70 SER QB 3.50 (# 491:20 Unique 2.18, 2.55 A)
&rst
ixpk= 491, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1034,1035,
&end
#
# 54 ILE HN 53 PRO HA 3.50 (# 492:20 Unique 2.07, 2.14 A)
&rst
ixpk= 492, nxpk= 20, iat= 780, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 53 PRO HA 3.50 (# 493:20 Unique 2.31, 2.66 A)
&rst
ixpk= 493, nxpk= 20, iat= 698, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 PRO HB+ 53 PRO HA 3.50 (# 495:20 Unique 2.21, 2.46 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 773, 774,
&end
#
# 48 THR MG2 53 PRO HA 3.50 (# 496:20 Unique 2.16, 3.44 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 702, 703, 704,
&end
#
# 19 SER HA 19 SER HB+ 3.50 (# 497:20 Unique 2.32, 2.63 A)
&rst
ixpk= 497, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 296, 297,
&end
#
# 19 SER HA 19 SER HB- 3.50 (# 501:20 Unique 2.32, 2.63 A)
&rst
ixpk= 501, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 296, 297,
&end
#
# 0 AMB 20-3:505 19 SER HB- 5.00 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1487, 243,
igr2= 296, 297,
&end
#
# 53 PRO HB- 53 PRO HA 3.50 (# 506:20 Unique 2.21, 2.46 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 773, 774,
&end
#
# 91 ASN HB+ 43 PRO HA 5.00 (# 518:20 Unique 2.10, 2.37 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 44 THR HN 43 PRO HA 2.70 (# 519:20 Unique 2.33, 2.38 A)
&rst
ixpk= 519, nxpk= 20, iat= 627, 623, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:521 43 PRO HA 3.50 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 620, 621, 617, 618,
&end
#
# 91 ASN HB- 43 PRO HA 5.00 (# 524:20 Unique 2.10, 2.37 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 7 ILE HN 6 VAL HA 2.70 (# 528:20 Preassigned 2.24, 2.53 A)
&rst
ixpk= 528, nxpk= 20, iat= 97, 83, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 6 VAL HB 6 VAL HA 5.00 (# 530:20 Preassigned 3.05, 3.06 A)
&rst
ixpk= 530, nxpk= 20, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 VAL MG1 6 VAL HA 3.50 (# 531:20 Preassigned 2.43, 3.15 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 87, 88, 89,
&end
#
# 9 ASN HN 8 VAL HA 3.50 (# 539:20 Preassigned 3.50, 3.53 A)
&rst
ixpk= 539, nxpk= 20, iat= 132, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HB 8 VAL HA 3.50 (# 540:20 Preassigned 3.02, 3.05 A)
&rst
ixpk= 540, nxpk= 20, iat= 120, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL MG2 8 VAL HA 3.50 (# 541:20 Preassigned 2.44, 3.13 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 126, 127, 128,
&end
#
# 45 MET HN 44 THR HA 5.00 (# 542:20 Preassigned 2.17, 2.25 A)
&rst
ixpk= 542, nxpk= 20, iat= 641, 629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 PRO HD+ 11 PRO HA 2.70 (# 543:20 Preassigned 2.13, 2.43 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 177, 178,
&end
#
# 12 PRO HD- 11 PRO HA 3.50 (# 544:20 Preassigned 2.13, 2.43 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 177, 178,
&end
#
# 0 AMB 20-3:545 11 PRO HA 3.50 (# 545:20 Single Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 169, 170, 166, 167,
&end
#
# 0 AMB 20-3:548 4 ILE HA 5.00 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 49, 15, 16,
&end
#
# 2 LYS QD 4 ILE HA 5.00 (# 549:20 Unique 3.64, 5.53 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 21, 22,
&end
#
# 89 ALA HN 88 ILE HA 2.70 (# 550:20 Preassigned 2.19, 2.26 A)
&rst
ixpk= 550, nxpk= 20, iat=1339,1322, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 97 ASP HA 88 ILE HA 5.00 (# 551:20 Unique 2.23, 2.38 A)
&rst
ixpk= 551, nxpk= 20, iat=1451,1322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 TRP HN 46 THR HA 3.50 (# 552:20 Preassigned 2.38, 2.48 A)
&rst
ixpk= 552, nxpk= 20, iat= 672, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 THR HN 44 THR HA 3.50 (# 553:20 Unique 2.95, 2.99 A)
&rst
ixpk= 553, nxpk= 20, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:554 0 AMB 20-2:554 2.70 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 664, 665, 666, 633, 634, 635,
igr2= 660, 629,
&end
#
# 0 AMB 20-3:556 0 AMB 20-2:556 2.70 (# 556:20 Double Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 662, 631,
igr2= 660, 629,
&end
#
# 0 AMB 20-3:558 46 THR HA 6.00 (# 558:20 Single Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 652, 653, 654, 784,
&end
#
# 19 SER HB+ 19 SER HA 3.50 (# 560:20 Unique 2.32, 2.63 A)
&rst
ixpk= 560, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 296, 297,
&end
#
# 80 SER HB3 80 SER HA 5.00 (# 562:20 Unique 2.33, 2.40 A)
&rst
ixpk= 562, nxpk= 20, iat=1212,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ALA MB 19 SER HA 3.50 (# 566:20 Preassigned 2.20, 2.97 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 245, 246, 247,
&end
#
# 54 ILE MG2 54 ILE HA 3.50 (# 568:20 Preassigned 2.40, 3.04 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 7 ILE HN 7 ILE HA 5.00 (# 571:20 Unique 2.69, 2.89 A)
&rst
ixpk= 571, nxpk= 20, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 VAL HN 7 ILE HA 2.70 (# 572:20 Preassigned 2.13, 2.19 A)
&rst
ixpk= 572, nxpk= 20, iat= 116, 99, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 7 ILE MG2 7 ILE HA 3.50 (# 574:20 Preassigned 2.35, 3.11 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 103, 104, 105,
&end
#
# 0 AMB 20-3:575 88 ILE HA 3.50 (# 575:20 Single Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1326,1327,1328,1333,1334,1335, 207, 208, 209, 211,
212, 213,
&end
#
# 75 LYS HN 74 ILE HA 2.70 (# 578:20 Preassigned 2.18, 2.25 A)
&rst
ixpk= 578, nxpk= 20, iat=1113,1096, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 80 SER HB2 80 SER HA 2.70 (# 581:20 Unique 2.41, 2.53 A)
&rst
ixpk= 581, nxpk= 20, iat=1211,1209, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 7 ILE HG1- 7 ILE HA 5.00 (# 586:20 Unique 2.43, 2.93 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 107, 108,
&end
#
# 73 ILE MG2 73 ILE HA 3.50 (# 587:20 Unique 2.33, 2.99 A)
&rst
ixpk= 587, nxpk= 20, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1081,1082,1083,
&end
#
# 74 ILE HN 73 ILE HA 2.70 (# 588:20 Preassigned 2.11, 2.17 A)
&rst
ixpk= 588, nxpk= 20, iat=1094,1077, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 32 THR HN 31 VAL HA 2.70 (# 589:20 Unique 2.11, 2.17 A)
&rst
ixpk= 589, nxpk= 20, iat= 470, 456, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:590 31 VAL HA 3.50 (# 590:20 Single Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 464, 465, 466, 460, 461, 462,
&end
#
# 31 VAL HB 31 VAL HA 3.50 (# 594:20 Unique 3.00, 3.03 A)
&rst
ixpk= 594, nxpk= 20, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG HN 17 ARG HA 3.50 (# 597:20 Preassigned 2.54, 2.77 A)
&rst
ixpk= 597, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG HB+ 17 ARG HA 3.50 (# 598:20 Preassigned 2.37, 2.78 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 17 ARG HB- 17 ARG HA 3.50 (# 599:20 Preassigned 2.37, 2.78 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 17 ARG QG 17 ARG HA 5.00 (# 604:20 Unique 2.29, 2.76 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 259,
&end
#
# 0 AMB 20-3:616 72 LEU MDY 3.50 (# 616:20 Single Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 932, 941, 691, 827,1278,1287,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 83 ALA HN 82 GLU HA 3.50 (# 622:20 Unique 2.19, 2.23 A)
&rst
ixpk= 622, nxpk= 20, iat=1245,1232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 LYS HN 92 LYS HA 5.00 (# 623:20 Unique 2.71, 2.76 A)
&rst
ixpk= 623, nxpk= 20, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 LYS HB- 92 LYS HA 2.70 (# 624:20 Unique 2.23, 2.42 A)
&rst
ixpk= 624, nxpk= 20, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1382,1383,
&end
#
# 61 GLU QG 61 GLU HA 3.50 (# 625:20 Unique 2.43, 2.76 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 894, 895,
&end
#
# 60 GLU HN 60 GLU HA 3.50 (# 627:20 Unique 2.97, 3.00 A)
&rst
ixpk= 627, nxpk= 20, iat= 872, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLU HN 60 GLU HA 3.50 (# 629:20 Unique 3.09, 3.31 A)
&rst
ixpk= 629, nxpk= 20, iat= 887, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:630 60 GLU HA 2.70 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 879, 880, 879, 880,
&end
#
# 60 GLU HB+ 60 GLU HA 3.50 (# 631:20 Unique 2.38, 2.74 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 876, 877,
&end
#
# 60 GLU HB- 60 GLU HA 3.50 (# 632:20 Unique 2.38, 2.74 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 876, 877,
&end
#
# 82 GLU HB- 82 GLU HA 5.00 (# 633:20 Unique 2.44, 2.77 A)
&rst
ixpk= 633, nxpk= 20, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1234,1235,
&end
#
# 0 AMB 20-3:634 82 GLU HA 3.50 (# 634:20 Single Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1568,1569,1570,1572,1573,1574,1530,1531,1532,1534,
1535,1536,1530,1531,1532,1534,1535,1536,
&end
#
# 107 LYS HN 107 LYS HA 3.50 (# 639:20 Unique 2.24, 2.32 A)
&rst
ixpk= 639, nxpk= 20, iat=1608,1610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 THR MG2 107 LYS HA 3.50 (# 642:20 Unique 2.31, 3.30 A)
&rst
ixpk= 642, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 364, 365, 366,
&end
#
# 61 GLU HN 61 GLU HA 3.50 (# 644:20 Unique 2.16, 2.37 A)
&rst
ixpk= 644, nxpk= 20, iat= 887, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLU QB 61 GLU HA 2.70 (# 645:20 Unique 2.32, 2.77 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 891, 892,
&end
#
# 25 ALA HN 104 VAL MGY 3.50 (# 650:20 Preassigned 2.17, 4.76 A)
&rst
ixpk= 650, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 40 PHE HN 40 PHE HA 5.00 (# 652:20 Preassigned 2.91, 2.95 A)
&rst
ixpk= 652, nxpk= 20, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 PRO HA 40 PHE HA 2.70 (# 654:20 Preassigned 2.22, 2.38 A)
&rst
ixpk= 654, nxpk= 20, iat= 594, 566, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 40 PHE QB 40 PHE HA 3.50 (# 655:20 Preassigned 2.34, 2.73 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 568, 569,
&end
#
# 58 ASP HN 57 GLU HA 3.50 (# 657:20 Preassigned 3.24, 3.45 A)
&rst
ixpk= 657, nxpk= 20, iat= 846, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 GLU QG 57 GLU HA 3.50 (# 658:20 Preassigned 2.55, 3.42 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 838, 839,
&end
#
# 57 GLU QB 57 GLU HA 3.50 (# 659:20 Preassigned 2.36, 2.65 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 56 GLN HN 56 GLN HA 2.70 (# 660:20 Preassigned 2.55, 2.63 A)
&rst
ixpk= 660, nxpk= 20, iat= 814, 816, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 56 GLN HG+ 56 GLN HA 3.50 (# 661:20 Unique 2.37, 3.00 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 821, 822,
&end
#
# 56 GLN HB+ 56 GLN HA 2.70 (# 662:20 Preassigned 2.38, 2.69 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 818, 819,
&end
#
# 56 GLN HB- 56 GLN HA 3.50 (# 663:20 Preassigned 2.38, 2.69 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 818, 819,
&end
#
# 40 PHE QD 40 PHE HA 5.00 (# 667:20 Unique 2.45, 3.45 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 572, 580,
&end
#
# 57 GLU HN 57 GLU HA 5.00 (# 669:20 Unique 2.75, 2.83 A)
&rst
ixpk= 669, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 GLN HN 96 GLN HA 3.50 (# 671:20 Unique 2.91, 2.97 A)
&rst
ixpk= 671, nxpk= 20, iat=1432,1434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ASP HN 96 GLN HA 2.70 (# 672:20 Preassigned 2.44, 2.50 A)
&rst
ixpk= 672, nxpk= 20, iat=1449,1434, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:673 0 AMB 20-2:673 3.50 (# 673:20 Double Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 136, 137,1439,1440,
igr2= 13,1434,
&end
#
# 96 GLN HB- 96 GLN HA 3.50 (# 674:20 Preassigned 2.50, 2.80 A)
&rst
ixpk= 674, nxpk= 20, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1436,1437,
&end
#
# 96 GLN HB+ 96 GLN HA 2.70 (# 675:20 Preassigned 2.50, 2.80 A)
&rst
ixpk= 675, nxpk= 20, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1436,1437,
&end
#
# 58 ASP HB+ 58 ASP HA 2.70 (# 686:20 Preassigned 2.40, 2.72 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 850, 851,
&end
#
# 18 GLN HG+ 18 GLN HA 3.50 (# 687:20 Preassigned 2.30, 2.98 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 282, 283,
&end
#
# 58 ASP HN 58 ASP HA 3.50 (# 688:20 Preassigned 2.92, 2.98 A)
&rst
ixpk= 688, nxpk= 20, iat= 846, 848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ASN HN 58 ASP HA 3.50 (# 689:20 Preassigned 3.51, 3.53 A)
&rst
ixpk= 689, nxpk= 20, iat= 858, 848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASP HN 50 ASP HA 2.70 (# 690:20 Preassigned 2.21, 2.38 A)
&rst
ixpk= 690, nxpk= 20, iat= 732, 734, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 50 ASP HB+ 50 ASP HA 2.70 (# 691:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 736, 737,
&end
#
# 50 ASP HB- 50 ASP HA 3.50 (# 692:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 736, 737,
&end
#
# 30 SER HN 29 GLN HA 2.70 (# 693:20 Preassigned 2.16, 2.40 A)
&rst
ixpk= 693, nxpk= 20, iat= 443, 428, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 18 GLN HN 18 GLN HA 5.00 (# 698:20 Unique 2.34, 2.84 A)
&rst
ixpk= 698, nxpk= 20, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 GLN HB+ 18 GLN HA 2.70 (# 701:20 Unique 2.41, 2.78 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 279, 280,
&end
#
# 19 SER HN 18 GLN HA 5.00 (# 702:20 Unique 2.18, 2.53 A)
&rst
ixpk= 702, nxpk= 20, iat= 292, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLN HB+ 5 GLN HA 2.70 (# 703:20 Preassigned 2.35, 2.62 A)
&rst
ixpk= 703, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 68, 69,
&end
#
# 42 GLU HN 42 GLU HA 5.00 (# 704:20 Unique 2.55, 2.65 A)
&rst
ixpk= 704, nxpk= 20, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PRO HD- 42 GLU HA 2.70 (# 706:20 Preassigned 2.15, 2.33 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 614, 615,
&end
#
# 42 GLU QB 42 GLU HA 3.50 (# 707:20 Preassigned 2.30, 2.67 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 602, 603,
&end
#
# 0 AMB 20-3:711 75 LYS HA 3.50 (# 711:20 Single Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1113,1094,
&end
#
# 0 AMB 20-3:712 0 AMB 20-2:712 3.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1135, 64,
igr2=1115, 66,
&end
#
# 0 AMB 20-3:713 75 LYS HA 2.70 (# 713:20 Single Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1117,1118,1145,1146,
&end
#
# 41 PRO HA 42 GLU HA 5.00 (# 716:20 Unique 4.15, 4.25 A)
&rst
ixpk= 716, nxpk= 20, iat= 594, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:717 42 GLU HA 5.00 (# 717:20 Single Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 605, 606, 605, 606,
&end
#
# 43 PRO HD+ 42 GLU HA 2.70 (# 718:20 Unique 2.15, 2.33 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 614, 615,
&end
#
# 26 ASN HN 26 ASN HA 3.50 (# 720:20 Preassigned 2.18, 2.31 A)
&rst
ixpk= 720, nxpk= 20, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASN HB+ 26 ASN HA 3.50 (# 721:20 Preassigned 2.17, 2.62 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 386, 387,
&end
#
# 55 GLU HB3 55 GLU HA 3.50 (# 722:20 Preassigned 2.27, 2.31 A)
&rst
ixpk= 722, nxpk= 20, iat= 804, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 GLN HN 55 GLU HA 2.70 (# 723:20 Preassigned 2.22, 2.36 A)
&rst
ixpk= 723, nxpk= 20, iat= 814, 801, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 55 GLU QG 55 GLU HA 3.50 (# 725:20 Preassigned 3.75, 3.84 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 806, 807,
&end
#
# 55 GLU HB2 55 GLU HA 3.50 (# 726:20 Preassigned 2.48, 2.52 A)
&rst
ixpk= 726, nxpk= 20, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 SER HA 75 LYS HA 5.00 (# 728:20 Unique 2.43, 2.95 A)
&rst
ixpk= 728, nxpk= 20, iat= 445,1115, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HB- 62 LYS HA 3.50 (# 730:20 Unique 2.31, 2.41 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 906, 907,
&end
#
# 0 AMB 20-3:735 27 LEU HA 2.70 (# 735:20 Single Ambig)
&rst
ixpk= 735, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
&end
#
# 9 ASN HA 3 ASP HA 5.00 (# 737:20 Unique 4.87, 7.02 A)
&rst
ixpk= 737, nxpk= 20, iat= 134, 35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 LYS HN 103 LYS HA 3.50 (# 738:20 Unique 2.94, 2.98 A)
&rst
ixpk= 738, nxpk= 20, iat=1540,1542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 LYS HB- 103 LYS HA 2.70 (# 739:20 Unique 2.23, 2.62 A)
&rst
ixpk= 739, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1544,1545,
&end
#
# 82 GLU HG+ 103 LYS HA 3.50 (# 740:20 Unique 2.22, 3.14 A)
&rst
ixpk= 740, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 50 ASP HN 49 LYS HA 2.70 (# 741:20 Preassigned 2.11, 2.31 A)
&rst
ixpk= 741, nxpk= 20, iat= 732, 712, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 98 ALA HN 86 ILE MG2 5.00 (# 743:20 Unique 3.75, 4.77 A)
&rst
ixpk= 743, nxpk= 20, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1297,1298,1299,
&end
#
# 3 ASP HB+ 3 ASP HA 3.50 (# 745:20 Unique 2.43, 2.74 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 37, 38,
&end
#
# 4 ILE HN 3 ASP HA 3.50 (# 746:20 Unique 2.19, 2.61 A)
&rst
ixpk= 746, nxpk= 20, iat= 45, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LEU HB2 33 LEU HA 5.00 (# 750:20 Preassigned 2.38, 2.53 A)
&rst
ixpk= 750, nxpk= 20, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ALA HN 33 LEU HA 2.70 (# 751:20 Unique 2.24, 2.56 A)
&rst
ixpk= 751, nxpk= 20, iat= 503, 486, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 33 LEU HB3 33 LEU HA 5.00 (# 752:20 Preassigned 2.19, 2.26 A)
&rst
ixpk= 752, nxpk= 20, iat= 489, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ALA MB 15 ARG HA 3.50 (# 759:20 Unique 2.29, 3.02 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1465,1466,1467,
&end
#
# 16 ALA HN 15 ARG HA 2.70 (# 760:20 Unique 2.05, 2.19 A)
&rst
ixpk= 760, nxpk= 20, iat= 241, 219, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 15 ARG HN 15 ARG HA 5.00 (# 761:20 Unique 2.90, 2.96 A)
&rst
ixpk= 761, nxpk= 20, iat= 217, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ALA MB 15 ARG HA 5.00 (# 762:20 Unique 4.39, 4.93 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 245, 246, 247,
&end
#
# 33 LEU MDX 33 LEU HA 3.50 (# 763:20 Unique 3.81, 4.75 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:777 72 LEU HA 5.00 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1056, 945,
&end
#
# 65 PHE HA 72 LEU HA 3.50 (# 778:20 Unique 2.26, 2.75 A)
&rst
ixpk= 778, nxpk= 20, iat= 958,1058, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU MDY 72 LEU HA 3.50 (# 781:20 Unique 2.44, 4.25 A)
&rst
ixpk= 781, nxpk= 20, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 73 ILE HN 72 LEU HA 2.70 (# 784:20 Unique 2.13, 2.16 A)
&rst
ixpk= 784, nxpk= 20, iat=1075,1058, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 107 LYS HN 106 ALA HA 2.70 (# 788:20 Unique 2.56, 2.65 A)
&rst
ixpk= 788, nxpk= 20, iat=1608,1600, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 106 ALA MB 106 ALA HA 5.00 (# 790:20 Preassigned 2.41, 2.65 A)
&rst
ixpk= 790, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1602,1603,1604,
&end
#
# 88 ILE HN 87 CYS HA 2.70 (# 796:20 Unique 2.01, 2.10 A)
&rst
ixpk= 796, nxpk= 20, iat=1320,1312, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 47 TRP HA 87 CYS HA 3.50 (# 797:20 Unique 2.18, 2.27 A)
&rst
ixpk= 797, nxpk= 20, iat= 674,1312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 CYS HB2 87 CYS HA 3.50 (# 798:20 Unique 2.33, 2.49 A)
&rst
ixpk= 798, nxpk= 20, iat=1314,1312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:799 87 CYS HA 5.00 (# 799:20 Single Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1333,1334,1335,1297,1298,1299,
&end
#
# 87 CYS HB3 87 CYS HA 3.50 (# 800:20 Unique 2.33, 2.43 A)
&rst
ixpk= 800, nxpk= 20, iat=1315,1312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:805 93 ALA HA 3.50 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1400,1410,
&end
#
# 93 ALA MB 93 ALA HA 2.70 (# 807:20 Preassigned 2.35, 2.64 A)
&rst
ixpk= 807, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1404,1405,1406,
&end
#
# 53 PRO HG- 53 PRO HD+ 3.50 (# 808:20 Unique 2.30, 2.61 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 770, 771,
igr2= 767, 768,
&end
#
# 69 GLY HN 69 GLY HA- 5.00 (# 845:20 Preassigned 2.20, 2.57 A)
&rst
ixpk= 845, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 40 PHE HN 39 GLY HA+ 3.50 (# 855:20 Unique 2.29, 2.61 A)
&rst
ixpk= 855, nxpk= 20, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 49 LYS HN 48 THR HB 3.50 (# 882:20 Unique 3.18, 3.34 A)
&rst
ixpk= 882, nxpk= 20, iat= 710, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 THR HN 99 THR HB 3.50 (# 887:20 Unique 2.75, 2.78 A)
&rst
ixpk= 887, nxpk= 20, iat=1471,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 THR MG2 99 THR HB 3.50 (# 888:20 Unique 2.44, 2.68 A)
&rst
ixpk= 888, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1477,1478,1479,
&end
#
# 24 THR HN 24 THR HB 5.00 (# 890:20 Unique 2.50, 2.61 A)
&rst
ixpk= 890, nxpk= 20, iat= 358, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR HA 24 THR HB 5.00 (# 891:20 Unique 3.02, 3.04 A)
&rst
ixpk= 891, nxpk= 20, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR MG2 24 THR HB 3.50 (# 892:20 Unique 2.36, 2.66 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 364, 365, 366,
&end
#
# 32 THR MG2 32 THR HB 2.70 (# 896:20 Unique 2.42, 2.67 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 476, 477, 478,
&end
#
# 32 THR HN 32 THR HB 3.50 (# 897:20 Unique 2.44, 2.52 A)
&rst
ixpk= 897, nxpk= 20, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ILE MG2 30 SER QB 3.50 (# 898:20 Unique 2.56, 4.34 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1081,1082,1083,
igr2= 447, 448,
&end
#
# 64 SER HA 64 SER HB+ 3.50 (# 899:20 Unique 2.40, 2.75 A)
&rst
ixpk= 899, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 949, 950,
&end
#
# 73 ILE HB 64 SER HB+ 5.00 (# 901:20 Unique 2.67, 3.81 A)
&rst
ixpk= 901, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 949, 950,
&end
#
# 31 VAL HN 30 SER QB 3.50 (# 902:20 Preassigned 3.16, 3.78 A)
&rst
ixpk= 902, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 447, 448,
&end
#
# 30 SER HN 30 SER QB 3.50 (# 903:20 Unique 2.63, 3.30 A)
&rst
ixpk= 903, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 447, 448,
&end
#
# 30 SER HA 30 SER QB 3.50 (# 904:20 Unique 2.37, 2.66 A)
&rst
ixpk= 904, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 447, 448,
&end
#
# 75 LYS HA 30 SER QB 5.00 (# 905:20 Preassigned 2.36, 3.50 A)
&rst
ixpk= 905, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 447, 448,
&end
#
# 14 VAL HN 13 SER QB 5.00 (# 906:20 Preassigned 4.04, 4.43 A)
&rst
ixpk= 906, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 194, 195,
&end
#
# 13 SER HN 13 SER QB 3.50 (# 907:20 Preassigned 2.40, 3.03 A)
&rst
ixpk= 907, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 194, 195,
&end
#
# 13 SER HA 13 SER QB 3.50 (# 908:20 Preassigned 2.37, 2.68 A)
&rst
ixpk= 908, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 194, 195,
&end
#
# 0 AMB 20-3:913 77 VAL HA 5.00 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1175,1220, 384,
&end
#
# 78 ASP HN 77 VAL HA 2.70 (# 918:20 Unique 2.08, 2.20 A)
&rst
ixpk= 918, nxpk= 20, iat=1173,1159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 20-3:920 77 VAL HA 2.70 (# 920:20 Single Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1163,1164,1165,1167,1168,1169,
&end
#
# 79 LYS HN 79 LYS HA 5.00 (# 945:20 Unique 2.70, 2.78 A)
&rst
ixpk= 945, nxpk= 20, iat=1185,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:947 79 LYS HA 2.70 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1195,1196,1566,1189,1190,
&end
#
# 0 AMB 20-3:948 79 LYS HA 3.50 (# 948:20 Single Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1192,1193,1192,1193,
&end
#
# 104 VAL MGX 79 LYS HA 3.50 (# 949:20 Unique 2.24, 3.93 A)
&rst
ixpk= 949, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 97 ASP HA 14 VAL MGY 5.00 (# 954:20 Unique 2.29, 3.59 A)
&rst
ixpk= 954, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-3:955 104 VAL MGY 3.50 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1564,1175,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 10 VAL MG1 11 PRO HD+ 5.00 (# 963:20 Preassigned 2.79, 4.27 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 152, 153, 154,
igr2= 163, 164,
&end
#
# 10 VAL HA 11 PRO HD+ 3.50 (# 964:20 Preassigned 2.18, 2.34 A)
&rst
ixpk= 964, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 163, 164,
&end
#
# 11 PRO QG 11 PRO HD+ 3.50 (# 966:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 166, 167,
igr2= 163, 164,
&end
#
# 10 VAL HA 11 PRO HD- 3.50 (# 967:20 Preassigned 2.18, 2.34 A)
&rst
ixpk= 967, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 163, 164,
&end
#
# 11 PRO QG 11 PRO HD- 3.50 (# 968:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 166, 167,
igr2= 163, 164,
&end
#
# 52 GLU HA 53 PRO HD- 3.50 (# 971:20 Unique 2.16, 2.43 A)
&rst
ixpk= 971, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 767, 768,
&end
#
# 0 AMB 20-3:973 53 PRO HD- 3.50 (# 973:20 Single Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 770, 771, 755,
igr2= 767, 768,
&end
#
# 53 PRO HG- 53 PRO HD- 3.50 (# 974:20 Unique 2.30, 2.61 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 770, 771,
igr2= 767, 768,
&end
#
# 42 GLU HA 43 PRO HD+ 3.50 (# 975:20 Unique 2.15, 2.33 A)
&rst
ixpk= 975, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 614, 615,
&end
#
# 0 AMB 20-3:977 0 AMB 20-2:977 5.00 (# 977:20 Double Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 617, 618, 620, 621,
igr2= 614, 615, 614, 615,
&end
#
# 12 PRO HG+ 12 PRO HD+ 3.50 (# 986:20 Preassigned 2.31, 2.61 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 180, 181,
igr2= 177, 178,
&end
#
# 11 PRO HA 12 PRO HD+ 3.50 (# 987:20 Preassigned 2.13, 2.43 A)
&rst
ixpk= 987, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 177, 178,
&end
#
# 0 AMB 20-3:988 0 AMB 20-2:988 5.00 (# 988:20 Double Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 169, 170, 169, 170,
igr2= 177, 178, 177, 178,
&end
#
# 41 PRO HB- 41 PRO HD+ 3.50 (# 991:20 Unique 2.71, 3.67 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 591, 592,
igr2= 585, 586,
&end
#
# 51 GLY HN 51 GLY HA- 3.50 (# 993:20 Unique 2.30, 2.74 A)
&rst
ixpk= 993, nxpk= 20, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 746, 747,
&end
#
# 40 PHE HN 39 GLY HA- 3.50 (# 997:20 Unique 2.29, 2.61 A)
&rst
ixpk= 997, nxpk= 20, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 39 GLY HN 39 GLY HA- 3.50 (# 998:20 Unique 2.59, 2.79 A)
&rst
ixpk= 998, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 64 SER HA 64 SER HB- 3.50 (# 1004:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1004, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 949, 950,
&end
#
# 0 AMB 20-3:1005 64 SER HB- 5.00 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1079,1123,1124,
igr2= 949, 950,
&end
#
# 76 LYS HN 76 LYS HA 3.50 (# 1009:20 Unique 2.34, 2.88 A)
&rst
ixpk= 1009, nxpk= 20, iat=1135,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HN 76 LYS HA 3.50 (# 1010:20 Preassigned 2.20, 2.58 A)
&rst
ixpk= 1010, nxpk= 20, iat=1157,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 SER HA 76 LYS HA 5.00 (# 1011:20 Unique 2.16, 2.57 A)
&rst
ixpk= 1011, nxpk= 20, iat= 417,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:1013 76 LYS HA 3.50 (# 1013:20 Single Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1145,1146,1139,1140,
&end
#
# 0 AMB 20-3:1014 76 LYS HA 5.00 (# 1014:20 Single Ambig)
&rst
ixpk= 1014, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1142,1143,1142,1143,
&end
#
# 42 GLU HA 43 PRO HD- 3.50 (# 1019:20 Unique 2.15, 2.33 A)
&rst
ixpk= 1019, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 614, 615,
&end
#
# 0 AMB 20-3:1022 43 PRO HD- 5.00 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 617, 618, 620, 621,
igr2= 614, 615,
&end
#
# 105 PHE HN 105 PHE HB2 3.50 (# 1034:20 Unique 3.58, 3.62 A)
&rst
ixpk= 1034, nxpk= 20, iat=1578,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 PHE HA 105 PHE HB2 3.50 (# 1035:20 Unique 2.35, 2.43 A)
&rst
ixpk= 1035, nxpk= 20, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:1039 101 HIS QB 3.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506, 305,
igr2=1508,1509,
&end
#
# 101 HIS HN 101 HIS QB 3.50 (# 1041:20 Unique 2.43, 3.09 A)
&rst
ixpk= 1041, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1508,1509,
&end
#
# 42 GLU HN 41 PRO HA 3.50 (# 1044:20 Unique 2.25, 2.33 A)
&rst
ixpk= 1044, nxpk= 20, iat= 598, 594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 PHE HA 41 PRO HA 3.50 (# 1045:20 Unique 2.22, 2.38 A)
&rst
ixpk= 1045, nxpk= 20, iat= 566, 594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 PRO HB+ 41 PRO HA 3.50 (# 1047:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 591, 592,
&end
#
# 41 PRO HB- 41 PRO HA 3.50 (# 1048:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 591, 592,
&end
#
# 45 MET ME 35 CYS HB+ 5.00 (# 1061:20 Preassigned 2.38, 4.18 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 652, 653, 654,
igr2= 517, 518,
&end
#
# 14 VAL MGX 35 CYS HB+ 5.00 (# 1062:20 Unique 2.37, 5.84 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 517, 518,
&end
#
# 15 ARG HG+ 15 ARG QD 2.70 (# 1064:20 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 224, 225,
igr2= 227, 228,
&end
#
# 78 ASP HA 78 ASP HB+ 3.50 (# 1065:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1065, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1177,1178,
&end
#
# 79 LYS HN 78 ASP HB+ 3.50 (# 1070:20 Unique 2.11, 3.17 A)
&rst
ixpk= 1070, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1177,1178,
&end
#
# 0 AMB 20-3:1072 65 PHE HB3 5.00 (# 1072:20 Single Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 956,1075,
&end
#
# 40 PHE QD 40 PHE QB 5.00 (# 1073:20 Preassigned 2.35, 3.09 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 572, 580,
igr2= 568, 569,
&end
#
# 40 PHE HA 40 PHE QB 3.50 (# 1074:20 Preassigned 2.34, 2.73 A)
&rst
ixpk= 1074, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 568, 569,
&end
#
# 0 AMB 20-3:1075 0 AMB 20-2:1075 5.00 (# 1075:20 Double Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 148,1032,
igr2= 568, 569, 961,
&end
#
# 73 ILE HG1- 65 PHE HB3 5.00 (# 1076:20 Unique 6.10, 7.23 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1085,1086,
&end
#
# 73 ILE MD1 65 PHE HB3 5.00 (# 1077:20 Unique 4.41, 5.68 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1088,1089,1090,
&end
#
# 0 AMB 20-3:1081 0 AMB 20-2:1081 5.00 (# 1081:20 Double Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1115, 13,
igr2=1126,1127, 24, 25,
&end
#
# 0 AMB 20-3:1089 0 AMB 20-2:1089 3.50 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1189,1190, 15, 16,1195,1196,
igr2=1198,1199, 24, 25,
&end
#
# 0 AMB 20-3:1091 0 AMB 20-2:1091 2.70 (# 1091:20 Double Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1123,1124,1192,1193,1192,1193,
igr2=1126,1127,1198,1199,
&end
#
# 0 AMB 20-3:1099 0 AMB 20-2:1099 3.50 (# 1099:20 Double Ambig)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1145,1146,1388,1389,1139,1140,
igr2=1148,1149,1391,1392,
&end
#
# 0 AMB 20-3:1100 0 AMB 20-2:1100 2.70 (# 1100:20 Double Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1142,1143,1385,1386,
igr2=1148,1149,1391,1392,
&end
#
# 0 AMB 20-3:1103 0 AMB 20-2:1103 3.50 (# 1103:20 Double Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1580,1487,
igr2=1583,1274,1275,
&end
#
# 68 ASP HA 68 ASP HB+ 3.50 (# 1106:20 Unique 2.18, 2.60 A)
&rst
ixpk= 1106, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1015,1016,
&end
#
# 50 ASP HA 50 ASP HB+ 3.50 (# 1109:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1109, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 736, 737,
&end
#
# 59 ASN HD21 59 ASN HB+ 5.00 (# 1111:20 Unique 2.29, 3.56 A)
&rst
ixpk= 1111, nxpk= 20, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 862, 863,
&end
#
# 59 ASN HA 59 ASN HB+ 3.50 (# 1112:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1112, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 862, 863,
&end
#
# 59 ASN HA 59 ASN HB- 5.00 (# 1118:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1118, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 862, 863,
&end
#
# 26 ASN HA 26 ASN HB- 5.00 (# 1126:20 Unique 2.17, 2.62 A)
&rst
ixpk= 1126, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 386, 387,
&end
#
# 82 GLU HB- 82 GLU HG+ 3.50 (# 1129:20 Unique 2.30, 2.77 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1234,1235,
igr2=1237,1238,
&end
#
# 103 LYS HA 82 GLU HG+ 5.00 (# 1130:20 Unique 2.22, 3.14 A)
&rst
ixpk= 1130, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1237,1238,
&end
#
# 0 AMB 20-3:1140 0 AMB 20-2:1140 2.70 (# 1140:20 Double Ambig)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1142,1143, 906, 907,
igr2=1139,1140,1139,1140,
&end
#
# 0 AMB 20-3:1157 0 AMB 20-2:1157 5.00 (# 1157:20 Double Ambig)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1439,1440,1177,1178,
igr2= 207, 208, 209, 211, 212, 213,1568,1569,1570,1572,
1573,1574,
&end
#
# 11 PRO HA 12 PRO HD- 3.50 (# 1162:20 Preassigned 2.13, 2.43 A)
&rst
ixpk= 1162, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 177, 178,
&end
#
# 11 PRO HB- 12 PRO HD- 5.00 (# 1165:20 Unique 2.25, 3.90 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 169, 170,
igr2= 177, 178,
&end
#
# 0 AMB 20-3:1166 12 PRO HD- 3.50 (# 1166:20 Single Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 180, 181, 183, 184, 617, 618,
igr2= 177, 178,
&end
#
# 0 AMB 20-3:1167 12 PRO HD- 5.00 (# 1167:20 Single Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 180, 181, 183, 184,
igr2= 177, 178,
&end
#
# 41 PRO HB- 41 PRO HD- 3.50 (# 1168:20 Unique 2.71, 3.67 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 591, 592,
igr2= 585, 586,
&end
#
# 14 VAL MGX 35 CYS HB- 3.50 (# 1169:20 Unique 2.37, 5.84 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 517, 518,
&end
#
# 0 AMB 20-3:1179 0 AMB 20-2:1179 3.50 (# 1179:20 Double Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1333,1334,1335,1326,1327,1328,1297,1298,1299,
igr2=1453,1454,1453,1454,1453,1454,
&end
#
# 38 ASP HN 38 ASP QB 5.00 (# 1180:20 Unique 2.36, 3.05 A)
&rst
ixpk= 1180, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 549, 550,
&end
#
# 39 GLY HN 38 ASP QB 3.50 (# 1181:20 Unique 3.57, 4.07 A)
&rst
ixpk= 1181, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 549, 550,
&end
#
# 38 ASP HA 38 ASP QB 3.50 (# 1182:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1182, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 549, 550,
&end
#
# 78 ASP HA 78 ASP HB- 3.50 (# 1185:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1185, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1177,1178,
&end
#
# 36 ASP HA 36 ASP HB2 5.00 (# 1187:20 Unique 2.31, 2.40 A)
&rst
ixpk= 1187, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:1204 22 ASN QB 3.50 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 348, 334,
igr2= 338, 339,
&end
#
# 22 ASN HA 22 ASN QB 5.00 (# 1205:20 Unique 2.29, 2.51 A)
&rst
ixpk= 1205, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 338, 339,
&end
#
# 0 AMB 20-3:1209 81 ASP HB- 5.00 (# 1209:20 Single Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=1163,1164,1165,1568,1569,1570,1572,1573,1574,1530,
1531,1532,1534,1535,1536,1530,1531,1532,1534,1535,
1536,
igr2=1222,1223,
&end
#
# 0 AMB 20-3:1219 0 AMB 20-2:1219 5.00 (# 1219:20 Double Ambig)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1378, 81,
igr2=1368,1369, 37, 38,
&end
#
# 91 ASN HA 91 ASN HB- 5.00 (# 1220:20 Unique 2.24, 2.42 A)
&rst
ixpk= 1220, nxpk= 20, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1368,1369,
&end
#
# 58 ASP HN 58 ASP HB- 5.00 (# 1221:20 Unique 2.37, 3.01 A)
&rst
ixpk= 1221, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 850, 851,
&end
#
# 58 ASP HA 58 ASP HB- 3.50 (# 1222:20 Unique 2.40, 2.72 A)
&rst
ixpk= 1222, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 850, 851,
&end
#
# 90 GLU HN 91 ASN HB- 5.00 (# 1225:20 Unique 4.51, 5.42 A)
&rst
ixpk= 1225, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1368,1369,
&end
#
# 50 ASP HA 50 ASP HB- 3.50 (# 1228:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1228, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 736, 737,
&end
#
# 9 ASN HA 9 ASN QB 3.50 (# 1231:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1231, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 136, 137,
&end
#
# 9 ASN HN 9 ASN QB 3.50 (# 1232:20 Unique 2.29, 3.13 A)
&rst
ixpk= 1232, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 136, 137,
&end
#
# 9 ASN HD21 9 ASN QB 5.00 (# 1233:20 Unique 2.32, 3.71 A)
&rst
ixpk= 1233, nxpk= 20, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 136, 137,
&end
#
# 93 ALA MB 9 ASN QB 3.50 (# 1234:20 Unique 2.11, 3.64 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1404,1405,1406,
igr2= 136, 137,
&end
#
# 59 ASN HD21 59 ASN HB- 5.00 (# 1238:20 Unique 2.29, 3.56 A)
&rst
ixpk= 1238, nxpk= 20, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 862, 863,
&end
#
# 96 GLN HA 96 GLN HG+ 5.00 (# 1249:20 Unique 2.39, 3.01 A)
&rst
ixpk= 1249, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1439,1440,
&end
#
# 42 GLU HN 42 GLU HG+ 3.50 (# 1250:20 Unique 2.05, 3.06 A)
&rst
ixpk= 1250, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 605, 606,
&end
#
# 42 GLU QB 42 GLU HG+ 2.70 (# 1252:20 Preassigned 2.29, 2.71 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 602, 603,
igr2= 605, 606,
&end
#
# 97 ASP HN 96 GLN HG+ 3.50 (# 1254:20 Preassigned 3.73, 4.09 A)
&rst
ixpk= 1254, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1439,1440,
&end
#
# 97 ASP HN 96 GLN HG- 5.00 (# 1258:20 Preassigned 3.73, 4.09 A)
&rst
ixpk= 1258, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1439,1440,
&end
#
# 43 PRO HD+ 43 PRO HG+ 5.00 (# 1276:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 97 ASP HA 97 ASP HB- 3.50 (# 1317:20 Unique 2.37, 2.47 A)
&rst
ixpk= 1317, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1453,1454,
&end
#
# 0 AMB 20-3:1319 97 ASP HB- 3.50 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1333,1334,1335,1326,1327,1328,1297,1298,1299,
igr2=1453,1454,
&end
#
# 36 ASP HN 36 ASP HB3 3.50 (# 1320:20 Unique 2.65, 2.82 A)
&rst
ixpk= 1320, nxpk= 20, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU MDY 63 TYR QB 5.00 (# 1325:20 Unique 2.35, 4.05 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1065,1066,1067,1069,1070,1071,
igr2= 928, 929,
&end
#
# 60 GLU HB+ 60 GLU HG- 2.70 (# 1334:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 876, 877,
igr2= 879, 880,
&end
#
# 60 GLU HA 60 GLU HG- 3.50 (# 1337:20 Unique 2.40, 2.98 A)
&rst
ixpk= 1337, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 879, 880,
&end
#
# 60 GLU HB- 60 GLU HG+ 2.70 (# 1338:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 876, 877,
igr2= 879, 880,
&end
#
# 71 GLU QB 71 GLU QG 3.50 (# 1340:20 Unique 2.30, 2.73 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1045,1046,
igr2=1048,1049,
&end
#
# 34 ALA MB 71 GLU QG 5.00 (# 1341:20 Unique 2.32, 3.75 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 507, 508, 509,
igr2=1048,1049,
&end
#
# 0 AMB 20-3:1346 0 AMB 20-2:1346 2.70 (# 1346:20 Double Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1421,1422, 891, 892,
igr2=1356,1357, 894, 895,
&end
#
# 94 GLY HA- 90 GLU HG+ 5.00 (# 1347:20 Unique 4.94, 6.70 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1412,1413,
igr2=1356,1357,
&end
#
# 0 AMB 20-3:1348 0 AMB 20-2:1348 3.50 (# 1348:20 Double Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1043,1351,
igr2=1048,1049,1356,1357,
&end
#
# 57 GLU HA 57 GLU QG 3.50 (# 1353:20 Unique 2.55, 3.42 A)
&rst
ixpk= 1353, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 57 GLU HN 57 GLU QG 3.50 (# 1355:20 Unique 1.95, 2.75 A)
&rst
ixpk= 1355, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 0 AMB 20-3:1356 57 GLU QG 2.70 (# 1356:20 Single Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 835, 836, 803,
igr2= 838, 839,
&end
#
# 82 GLU HA 82 GLU HG- 5.00 (# 1361:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1361, nxpk= 20, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1237,1238,
&end
#
# 0 AMB 20-3:1363 90 GLU HG- 2.70 (# 1363:20 Single Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1421,1422,1421,1422,1353,1354,
igr2=1356,1357,
&end
#
# 55 GLU HN 55 GLU QG 3.50 (# 1366:20 Unique 1.91, 2.45 A)
&rst
ixpk= 1366, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 806, 807,
&end
#
# 55 GLU HA 55 GLU QG 3.50 (# 1369:20 Unique 3.75, 3.84 A)
&rst
ixpk= 1369, nxpk= 20, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 806, 807,
&end
#
# 10 VAL MG2 10 VAL HB 2.70 (# 1372:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 156, 157, 158,
&end
#
# 52 GLU HN 52 GLU HG+ 5.00 (# 1374:20 Unique 2.49, 3.55 A)
&rst
ixpk= 1374, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 758, 759,
&end
#
# 52 GLU HA 52 GLU HG+ 5.00 (# 1375:20 Unique 3.69, 3.98 A)
&rst
ixpk= 1375, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 758, 759,
&end
#
# 52 GLU HN 52 GLU HG- 5.00 (# 1376:20 Unique 2.49, 3.55 A)
&rst
ixpk= 1376, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 758, 759,
&end
#
# 52 GLU HA 52 GLU HG- 5.00 (# 1377:20 Unique 3.69, 3.98 A)
&rst
ixpk= 1377, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 758, 759,
&end
#
# 96 GLN HN 95 GLU QG 5.00 (# 1378:20 Unique 2.67, 3.62 A)
&rst
ixpk= 1378, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1424,1425,
&end
#
# 88 ILE MG2 95 GLU QG 3.50 (# 1381:20 Unique 3.50, 4.65 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1326,1327,1328,
igr2=1424,1425,
&end
#
# 95 GLU HA 95 GLU QG 5.00 (# 1382:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1382, nxpk= 20, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1424,1425,
&end
#
# 18 GLN HB- 18 GLN HG- 2.70 (# 1385:20 Unique 2.33, 2.69 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 279, 280,
igr2= 282, 283,
&end
#
# 29 GLN HA 29 GLN QG 5.00 (# 1387:20 Unique 2.32, 2.82 A)
&rst
ixpk= 1387, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 433, 434,
&end
#
# 41 PRO HA 41 PRO HB+ 3.50 (# 1388:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1388, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 591, 592,
&end
#
# 42 GLU HN 41 PRO HB+ 5.00 (# 1390:20 Unique 2.59, 3.05 A)
&rst
ixpk= 1390, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 591, 592,
&end
#
# 41 PRO QG 41 PRO HB+ 3.50 (# 1391:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 588, 589,
igr2= 591, 592,
&end
#
# 0 AMB 20-3:1395 0 AMB 20-2:1395 5.00 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 814, 831,
igr2= 821, 822, 821, 822,
&end
#
# 0 AMB 20-3:1396 56 GLN HG- 5.00 (# 1396:20 Single Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 814, 831,
igr2= 821, 822,
&end
#
# 56 GLN HA 56 GLN HG- 5.00 (# 1398:20 Unique 2.37, 3.00 A)
&rst
ixpk= 1398, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 821, 822,
&end
#
# 8 VAL HN 8 VAL HB 5.00 (# 1402:20 Unique 2.39, 2.68 A)
&rst
ixpk= 1402, nxpk= 20, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ASN HN 8 VAL HB 5.00 (# 1403:20 Unique 1.99, 2.31 A)
&rst
ixpk= 1403, nxpk= 20, iat= 132, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:1405 8 VAL HB 5.00 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 118, 99,
&end
#
# 8 VAL MG2 8 VAL HB 2.70 (# 1406:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 126, 127, 128,
&end
#
# 6 VAL HN 6 VAL HB 5.00 (# 1409:20 Unique 2.59, 2.92 A)
&rst
ixpk= 1409, nxpk= 20, iat= 81, 85, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 PRO HA 53 PRO HB+ 3.50 (# 1410:20 Unique 2.21, 2.46 A)
&rst
ixpk= 1410, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 773, 774,
&end
#
# 0 AMB 20-3:1414 0 AMB 20-2:1414 3.50 (# 1414:20 Double Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 652, 653, 654, 645,
igr2= 648, 649, 648, 649,
&end
#
# 45 MET ME 45 MET HG- 3.50 (# 1418:20 Unique 2.39, 3.70 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 652, 653, 654,
igr2= 648, 649,
&end
#
# 0 AMB 20-3:1419 6 VAL HB 5.00 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 83, 99,
&end
#
# 21 MET HA 21 MET QG 3.50 (# 1420:20 Unique 2.71, 3.25 A)
&rst
ixpk= 1420, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 324, 325,
&end
#
# 0 AMB 20-3:1421 21 MET QG 2.70 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 279, 280, 328, 329, 330,
igr2= 324, 325,
&end
#
# 100 ILE MG2 21 MET QG 3.50 (# 1422:20 Unique 3.17, 4.06 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,
igr2= 324, 325,
&end
#
# 0 AMB 20-3:1423 21 MET QG 3.50 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536, 460, 461, 462,
igr2= 324, 325,
&end
#
# 79 LYS HG+ 79 LYS HB+ 2.70 (# 1424:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1192,1193,
igr2=1189,1190,
&end
#
# 21 MET HB3 21 MET QG 2.70 (# 1425:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1425, nxpk= 20, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 324, 325,
&end
#
# 21 MET HB2 21 MET QG 2.70 (# 1426:20 Unique 2.40, 2.46 A)
&rst
ixpk= 1426, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 324, 325,
&end
#
# 0 AMB 20-3:1427 21 MET QG 5.00 (# 1427:20 Single Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 317, 292,
igr2= 324, 325,
&end
#
# 0 AMB 20-3:1428 0 AMB 20-2:1428 2.70 (# 1428:20 Double Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 646, 818, 819,
igr2= 648, 649, 648, 649,
&end
#
# 33 LEU MDX 21 MET QG 5.00 (# 1432:20 Unique 2.49, 5.01 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 324, 325,
&end
#
# 84 GLU HA 84 GLU HB- 5.00 (# 1436:20 Unique 2.48, 2.79 A)
&rst
ixpk= 1436, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1259,1260,
&end
#
# 58 ASP HN 0 AMB 20-2:1441 3.50 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 835, 836, 803,
&end
#
# 52 GLU HA 52 GLU HB3 5.00 (# 1442:20 Preassigned 2.52, 2.59 A)
&rst
ixpk= 1442, nxpk= 20, iat= 753, 756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 GLU HN 57 GLU QB 2.70 (# 1444:20 Unique 2.52, 3.13 A)
&rst
ixpk= 1444, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 835, 836,
&end
#
# 0 AMB 20-3:1445 57 GLU QB 2.70 (# 1445:20 Single Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 838, 839, 821, 822,
igr2= 835, 836,
&end
#
# 57 GLU HA 57 GLU QB 2.70 (# 1446:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1446, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 835, 836,
&end
#
# 52 GLU HA 52 GLU HB2 5.00 (# 1447:20 Preassigned 2.26, 2.32 A)
&rst
ixpk= 1447, nxpk= 20, iat= 753, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PRO HA 11 PRO HB+ 3.50 (# 1448:20 Preassigned 2.31, 2.68 A)
&rst
ixpk= 1448, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 169, 170,
&end
#
# 12 PRO HD+ 11 PRO HB+ 3.50 (# 1449:20 Preassigned 2.25, 3.90 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 177, 178,
igr2= 169, 170,
&end
#
# 12 PRO HD- 11 PRO HB+ 5.00 (# 1450:20 Preassigned 2.25, 3.90 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 177, 178,
igr2= 169, 170,
&end
#
# 52 GLU HN 52 GLU HB3 5.00 (# 1451:20 Unique 2.88, 3.30 A)
&rst
ixpk= 1451, nxpk= 20, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PRO HA 11 PRO HB- 3.50 (# 1452:20 Preassigned 2.31, 2.68 A)
&rst
ixpk= 1452, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 169, 170,
&end
#
# 0 AMB 20-3:1453 11 PRO HB- 3.50 (# 1453:20 Single Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 177, 178, 163, 164,
igr2= 169, 170,
&end
#
# 0 AMB 20-3:1455 0 AMB 20-2:1455 5.00 (# 1455:20 Double Ambig)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 443,1157,
igr2= 430, 431, 430, 431,
&end
#
# 0 AMB 20-3:1456 29 GLN HB- 3.50 (# 1456:20 Single Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 443,1157,
igr2= 430, 431,
&end
#
# 12 PRO HD- 11 PRO HB- 5.00 (# 1457:20 Preassigned 2.25, 3.90 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 177, 178,
igr2= 169, 170,
&end
#
# 60 GLU HA 60 GLU HB+ 3.50 (# 1464:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1464, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 876, 877,
&end
#
# 0 AMB 20-3:1466 0 AMB 20-2:1466 3.50 (# 1466:20 Double Ambig)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 874, 801,1542,
igr2= 876, 877, 818, 819,1234,1235,
&end
#
# 0 AMB 20-3:1467 0 AMB 20-2:1467 5.00 (# 1467:20 Double Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 814, 831,
igr2= 818, 819, 818, 819,
&end
#
# 0 AMB 20-3:1468 0 AMB 20-2:1468 2.70 (# 1468:20 Double Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 66, 816,1232,
igr2= 68, 69, 818, 819,1234,1235,
&end
#
# 53 PRO HD- 53 PRO HG+ 3.50 (# 1472:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 767, 768,
igr2= 770, 771,
&end
#
# 53 PRO HD+ 53 PRO HG+ 3.50 (# 1476:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 767, 768,
igr2= 770, 771,
&end
#
# 53 PRO HB+ 53 PRO HG+ 3.50 (# 1477:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 773, 774,
igr2= 770, 771,
&end
#
# 32 THR HN 21 MET ME 5.00 (# 1528:20 Preassigned 4.50, 5.56 A)
&rst
ixpk= 1528, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 328, 329, 330,
&end
#
# 33 LEU HA 21 MET ME 5.00 (# 1529:20 Preassigned 3.35, 4.82 A)
&rst
ixpk= 1529, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 328, 329, 330,
&end
#
# 0 AMB 20-3:1537 21 MET ME 5.00 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 352, 353, 354,1528,
igr2= 328, 329, 330,
&end
#
# 100 ILE MG2 21 MET ME 5.00 (# 1538:20 Preassigned 6.01, 7.33 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1491,1492,1493,
igr2= 328, 329, 330,
&end
#
# 31 VAL MG1 21 MET ME 2.70 (# 1539:20 Preassigned 2.86, 3.91 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 460, 461, 462,
igr2= 328, 329, 330,
&end
#
# 33 LEU MDX 21 MET ME 5.00 (# 1540:20 Preassigned 2.35, 5.52 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 328, 329, 330,
&end
#
# 21 MET HA 21 MET ME 5.00 (# 1543:20 Unique 3.27, 4.10 A)
&rst
ixpk= 1543, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 328, 329, 330,
&end
#
# 102 LEU HG 102 LEU HB- 5.00 (# 1580:20 Preassigned 2.31, 2.63 A)
&rst
ixpk= 1580, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1525,1526,
&end
#
# 0 AMB 20-3:1582 102 LEU HB- 3.50 (# 1582:20 Single Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
igr2=1525,1526,
&end
#
# 0 AMB 20-3:1584 102 LEU HB- 5.00 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 491, 488,
igr2=1525,1526,
&end
#
# 100 ILE MD1 100 ILE HB 3.50 (# 1587:20 Unique 2.31, 3.07 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1498,1499,1500,
&end
#
# 0 AMB 20-3:1590 0 AMB 20-2:1590 3.50 (# 1590:20 Double Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
igr2= 400, 401, 400, 401,
&end
#
# 0 AMB 20-3:1595 27 LEU HB- 3.50 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
igr2= 400, 401,
&end
#
# 100 ILE HG1+ 100 ILE HB 5.00 (# 1597:20 Unique 2.33, 2.75 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 100 ILE MG2 100 ILE HB 3.50 (# 1598:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1598, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1491,1492,1493,
&end
#
# 0 AMB 20-3:1616 86 ILE HB 2.70 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1297,1298,1299,1304,1305,1306,1333,1334,1335,
&end
#
# 0 AMB 20-3:1618 88 ILE HB 5.00 (# 1618:20 Single Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1320,1339,
&end
#
# 0 AMB 20-3:1620 88 ILE HB 3.50 (# 1620:20 Single Ambig)
&rst
ixpk= 1620, nxpk= 20, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1326,1327,1328,1333,1334,1335,
&end
#
# 0 AMB 20-3:1621 88 ILE HB 5.00 (# 1621:20 Single Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1330,1331, 664, 665, 666,
&end
#
# 73 ILE HN 73 ILE HB 3.50 (# 1622:20 Unique 2.50, 2.64 A)
&rst
ixpk= 1622, nxpk= 20, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:1623 73 ILE HB 5.00 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 945,1094,
&end
#
# 73 ILE MG2 73 ILE HB 2.70 (# 1624:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1081,1082,1083,
&end
#
# 7 ILE HN 7 ILE HB 3.50 (# 1632:20 Unique 2.42, 2.60 A)
&rst
ixpk= 1632, nxpk= 20, iat= 97, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ILE HG1+ 7 ILE HB 3.50 (# 1634:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1634, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 107, 108,
&end
#
# 7 ILE HG1- 7 ILE HB 5.00 (# 1635:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 107, 108,
&end
#
# 74 ILE MG2 74 ILE HB 2.70 (# 1637:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1100,1101,1102,
&end
#
# 7 ILE MG2 7 ILE HB 2.70 (# 1640:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 103, 104, 105,
&end
#
# 54 ILE MG2 54 ILE HB 3.50 (# 1641:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 54 ILE HN 54 ILE HB 3.50 (# 1642:20 Unique 2.46, 2.60 A)
&rst
ixpk= 1642, nxpk= 20, iat= 780, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:1643 74 ILE HB 5.00 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1107,1108,1109, 493, 494, 495, 497, 498, 499,
&end
#
# 74 ILE HN 74 ILE HB 5.00 (# 1644:20 Preassigned 2.30, 2.42 A)
&rst
ixpk= 1644, nxpk= 20, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLU HA 84 GLU QG 3.50 (# 1646:20 Unique 2.32, 2.90 A)
&rst
ixpk= 1646, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1262,1263,
&end
#
# 84 GLU HB+ 84 GLU QG 2.70 (# 1647:20 Unique 2.25, 2.68 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1259,1260,
igr2=1262,1263,
&end
#
# 99 THR MG2 84 GLU QG 3.50 (# 1648:20 Unique 2.55, 4.53 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1477,1478,1479,
igr2=1262,1263,
&end
#
# 21 MET QG 21 MET HB2 2.70 (# 1650:20 Unique 2.40, 2.46 A)
&rst
ixpk= 1650, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 324, 325,
&end
#
# 0 AMB 20-3:1653 21 MET HB2 3.50 (# 1653:20 Single Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 328, 329, 330, 279, 280, 279, 280,
&end
#
# 32 THR HN 31 VAL HB 5.00 (# 1661:20 Preassigned 3.82, 4.16 A)
&rst
ixpk= 1661, nxpk= 20, iat= 470, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 VAL HA 31 VAL HB 3.50 (# 1662:20 Preassigned 3.00, 3.03 A)
&rst
ixpk= 1662, nxpk= 20, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 VAL MG2 31 VAL HB 5.00 (# 1664:20 Preassigned 2.37, 2.67 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 464, 465, 466,
&end
#
# 14 VAL HA 14 VAL HB 5.00 (# 1665:20 Preassigned 2.28, 2.38 A)
&rst
ixpk= 1665, nxpk= 20, iat= 203, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ALA MB 14 VAL HB 5.00 (# 1666:20 Preassigned 2.20, 2.73 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1343,1344,1345,
&end
#
# 14 VAL MGX 14 VAL HB 2.70 (# 1667:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-3:1672 45 MET HB2 3.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 658, 641,
&end
#
# 0 AMB 20-3:1673 90 GLU QB 5.00 (# 1673:20 Single Ambig)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1364,1339,
igr2=1353,1354,
&end
#
# 104 VAL MGX 104 VAL HB 3.50 (# 1676:20 Unique 2.30, 2.66 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 20-3:1677 104 VAL HB 2.70 (# 1677:20 Single Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1568,1569,1570,1572,1573,1574,1163,1164,1165,1530,
1531,1532,1534,1535,1536,
&end
#
# 41 PRO HA 41 PRO HB- 5.00 (# 1679:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1679, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 591, 592,
&end
#
# 14 VAL MGY 96 GLN HB- 5.00 (# 1680:20 Unique 2.10, 4.69 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 207, 208, 209, 211, 212, 213,
igr2=1436,1437,
&end
#
# 75 LYS HG- 75 LYS QB 3.50 (# 1681:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1120,1121,
igr2=1117,1118,
&end
#
# 103 LYS HA 103 LYS HB+ 5.00 (# 1683:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1683, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1544,1545,
&end
#
# 0 AMB 20-3:1686 75 LYS QB 5.00 (# 1686:20 Single Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1115, 904,
igr2=1117,1118,
&end
#
# 107 LYS HA 107 LYS HB- 5.00 (# 1689:20 Unique 2.36, 2.73 A)
&rst
ixpk= 1689, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1612,1613,
&end
#
# 103 LYS HN 103 LYS HB- 5.00 (# 1690:20 Unique 2.40, 3.20 A)
&rst
ixpk= 1690, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1544,1545,
&end
#
# 103 LYS HG- 103 LYS HB- 2.70 (# 1691:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1547,1548,
igr2=1544,1545,
&end
#
# 0 AMB 20-3:1692 95 GLU HB- 2.70 (# 1692:20 Single Ambig)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1356,1357,1424,1425,
igr2=1421,1422,
&end
#
# 89 ALA MB 12 PRO HB- 3.50 (# 1695:20 Preassigned 2.15, 3.29 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1343,1344,1345,
igr2= 183, 184,
&end
#
# 12 PRO HA 12 PRO HB- 5.00 (# 1696:20 Preassigned 2.24, 2.51 A)
&rst
ixpk= 1696, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 183, 184,
&end
#
# 15 ARG HA 15 ARG HB+ 3.50 (# 1697:20 Preassigned 2.39, 2.73 A)
&rst
ixpk= 1697, nxpk= 20, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 221, 222,
&end
#
# 37 ALA MB 43 PRO QB 3.50 (# 1698:20 Unique 3.45, 5.10 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 539, 540, 541,
igr2= 620, 621,
&end
#
# 89 ALA MB 43 PRO QB 3.50 (# 1699:20 Unique 2.88, 4.87 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1343,1344,1345,
igr2= 620, 621,
&end
#
# 43 PRO HA 43 PRO QB 3.50 (# 1700:20 Unique 2.36, 2.58 A)
&rst
ixpk= 1700, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 620, 621,
&end
#
# 12 PRO HA 12 PRO HB+ 5.00 (# 1701:20 Preassigned 2.24, 2.51 A)
&rst
ixpk= 1701, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 183, 184,
&end
#
# 89 ALA MB 12 PRO HB+ 5.00 (# 1705:20 Preassigned 2.15, 3.29 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1343,1344,1345,
igr2= 183, 184,
&end
#
# 44 THR HN 43 PRO QB 3.50 (# 1708:20 Unique 2.40, 2.99 A)
&rst
ixpk= 1708, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 620, 621,
&end
#
# 53 PRO HG+ 53 PRO HB- 2.70 (# 1715:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 770, 771,
igr2= 773, 774,
&end
#
# 53 PRO HA 53 PRO HB- 5.00 (# 1716:20 Unique 2.21, 2.46 A)
&rst
ixpk= 1716, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 773, 774,
&end
#
# 71 GLU QG 71 GLU QB 5.00 (# 1718:20 Unique 2.30, 2.73 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1048,1049,
igr2=1045,1046,
&end
#
# 92 LYS HA 92 LYS HB- 3.50 (# 1719:20 Preassigned 2.23, 2.42 A)
&rst
ixpk= 1719, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1382,1383,
&end
#
# 92 LYS QG 92 LYS HB- 2.70 (# 1720:20 Preassigned 2.24, 2.63 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1385,1386,
igr2=1382,1383,
&end
#
# 92 LYS HN 92 LYS HB+ 5.00 (# 1722:20 Unique 2.46, 3.11 A)
&rst
ixpk= 1722, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 92 LYS HA 92 LYS HB+ 3.50 (# 1723:20 Preassigned 2.23, 2.42 A)
&rst
ixpk= 1723, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1382,1383,
&end
#
# 92 LYS QG 92 LYS HB+ 3.50 (# 1724:20 Preassigned 2.24, 2.63 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1385,1386,
igr2=1382,1383,
&end
#
# 0 AMB 20-3:1727 79 LYS HB- 2.70 (# 1727:20 Single Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1192,1193,1192,1193,
igr2=1189,1190,
&end
#
# 79 LYS HN 79 LYS HB- 5.00 (# 1728:20 Unique 2.23, 2.90 A)
&rst
ixpk= 1728, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1189,1190,
&end
#
# 0 AMB 20-3:1731 77 VAL HB 2.70 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1163,1164,1165,1167,1168,1169, 464, 465, 466,
&end
#
# 77 VAL HN 77 VAL HB 3.50 (# 1732:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1732, nxpk= 20, iat=1157,1161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG QG 17 ARG HB+ 5.00 (# 1739:20 Preassigned 2.26, 2.74 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 258, 259,
igr2= 255, 256,
&end
#
# 0 AMB 20-3:1742 0 AMB 20-2:1742 2.70 (# 1742:20 Double Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1148,1149, 723, 724,
igr2=1145,1146, 720, 721,
&end
#
# 0 AMB 20-3:1744 0 AMB 20-2:1744 5.00 (# 1744:20 Double Ambig)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 793, 794, 795,1100,1101,1102,
igr2= 720, 721,1145,1146,
&end
#
# 56 GLN HA 56 GLN HB- 3.50 (# 1748:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1748, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819,
&end
#
# 0 AMB 20-3:1755 2 LYS QD 2.70 (# 1755:20 Single Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 15, 16, 49,
igr2= 21, 22,
&end
#
# 0 AMB 20-3:1757 2 LYS QD 2.70 (# 1757:20 Single Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 18, 19, 55, 56,
igr2= 21, 22,
&end
#
# 91 ASN HB+ 92 LYS QD 2.70 (# 1758:20 Unique 2.54, 4.24 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1368,1369,
igr2=1388,1389,
&end
#
# 0 AMB 20-3:1761 33 LEU HG 5.00 (# 1761:20 Single Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 493, 494, 495, 497, 498, 499,1060,1061,
&end
#
# 79 LYS HG- 79 LYS QD 2.70 (# 1766:20 Unique 2.32, 2.68 A)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1192,1193,
igr2=1195,1196,
&end
#
# 79 LYS HA 79 LYS QD 5.00 (# 1767:20 Unique 2.20, 3.95 A)
&rst
ixpk= 1767, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1195,1196,
&end
#
# 103 LYS QE 103 LYS HD- 2.70 (# 1768:20 Unique 2.35, 2.67 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1553,1554,
igr2=1550,1551,
&end
#
# 33 LEU MDX 33 LEU HG 5.00 (# 1771:20 Preassigned 2.36, 2.66 A)
&rst
ixpk= 1771, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 100 ILE MD1 100 ILE HG1- 2.70 (# 1772:20 Preassigned 2.33, 2.67 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1498,1499,1500,
igr2=1495,1496,
&end
#
# 100 ILE MG2 100 ILE HG1+ 3.50 (# 1774:20 Unique 2.49, 3.57 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,
igr2=1495,1496,
&end
#
# 0 AMB 20-3:1777 0 AMB 20-2:1777 2.70 (# 1777:20 Double Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1326,1327,1328,1333,1334,1335,1297,1298,1299,
igr2=1330,1331,1330,1331,1330,1331,
&end
#
# 0 AMB 20-3:1779 0 AMB 20-2:1779 2.70 (# 1779:20 Double Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1304,1305,1306,1297,1298,1299,
igr2=1301,1302,1301,1302,
&end
#
# 95 GLU HA 12 PRO HG+ 5.00 (# 1782:20 Unique 2.37, 3.30 A)
&rst
ixpk= 1782, nxpk= 20, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 180, 181,
&end
#
# 12 PRO HD- 12 PRO HG+ 5.00 (# 1785:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 177, 178,
igr2= 180, 181,
&end
#
# 17 ARG HB- 17 ARG QG 2.70 (# 1786:20 Unique 2.26, 2.74 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 255, 256,
igr2= 258, 259,
&end
#
# 73 ILE HA 73 ILE HG1+ 5.00 (# 1787:20 Preassigned 2.49, 3.07 A)
&rst
ixpk= 1787, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1085,1086,
&end
#
# 73 ILE MG2 73 ILE HG1+ 5.00 (# 1789:20 Unique 2.29, 3.16 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1081,1082,1083,
igr2=1085,1086,
&end
#
# 0 AMB 20-3:1796 0 AMB 20-2:1796 5.00 (# 1796:20 Double Ambig)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 614, 615, 559, 560,
igr2= 617, 618, 617, 618,
&end
#
# 54 ILE MD1 54 ILE HG1+ 3.50 (# 1799:20 Unique 2.25, 2.65 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 793, 794, 795,
igr2= 790, 791,
&end
#
# 62 LYS HG+ 62 LYS HD- 5.00 (# 1801:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 76 LYS HG+ 62 LYS HD- 3.50 (# 1802:20 Unique 2.89, 4.71 A)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1142,1143,
igr2= 912, 913,
&end
#
# 43 PRO HD- 43 PRO HG- 5.00 (# 1803:20 Preassigned 2.30, 2.61 A)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 43 PRO QB 43 PRO HG- 2.70 (# 1804:20 Unique 2.34, 2.62 A)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 620, 621,
igr2= 617, 618,
&end
#
# 37 ALA MB 43 PRO HG- 5.00 (# 1805:20 Unique 2.70, 4.22 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 539, 540, 541,
igr2= 617, 618,
&end
#
# 54 ILE HN 54 ILE HG1+ 5.00 (# 1806:20 Unique 2.02, 2.85 A)
&rst
ixpk= 1806, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 790, 791,
&end
#
# 0 AMB 20-3:1807 0 AMB 20-2:1807 2.70 (# 1807:20 Double Ambig)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 58, 59, 60, 51, 52, 53, 126, 127, 128,
igr2= 55, 56, 55, 56, 55, 56,
&end
#
# 7 ILE MD1 7 ILE HG1+ 2.70 (# 1810:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 110, 111, 112,
igr2= 107, 108,
&end
#
# 4 ILE MD1 4 ILE HG1- 2.70 (# 1814:20 Preassigned 2.33, 2.65 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 58, 59, 60,
igr2= 55, 56,
&end
#
# 7 ILE HB 7 ILE HG1- 5.00 (# 1815:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1815, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 107, 108,
&end
#
# 7 ILE MD1 7 ILE HG1- 2.70 (# 1818:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 110, 111, 112,
igr2= 107, 108,
&end
#
# 0 AMB 20-3:1823 0 AMB 20-2:1823 5.00 (# 1823:20 Double Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1107,1108,1109, 493, 494, 495, 497, 498, 499,
igr2=1104,1105,1104,1105,
&end
#
# 0 AMB 20-3:1827 27 LEU HG 3.50 (# 1827:20 Single Ambig)
&rst
ixpk= 1827, nxpk= 20, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
&end
#
# 41 PRO HB+ 41 PRO QG 3.50 (# 1835:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 591, 592,
igr2= 588, 589,
&end
#
# 41 PRO HB- 41 PRO QG 2.70 (# 1836:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 591, 592,
igr2= 588, 589,
&end
#
# 75 LYS QB 75 LYS HG- 3.50 (# 1837:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1117,1118,
igr2=1120,1121,
&end
#
# 75 LYS QB 75 LYS HG+ 5.00 (# 1838:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1117,1118,
igr2=1120,1121,
&end
#
# 75 LYS QB 75 LYS HG- 3.50 (# 1842:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1117,1118,
igr2=1120,1121,
&end
#
# 0 AMB 20-3:1856 0 AMB 20-2:1856 2.70 (# 1856:20 Double Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 21, 22,1618,1619,
igr2= 18, 19,1615,1616,
&end
#
# 0 AMB 20-3:1859 0 AMB 20-2:1859 2.70 (# 1859:20 Double Ambig)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 720, 721,1145,1146,1139,1140,1117,1118, 912, 913,
igr2= 717, 718,1142,1143,1142,1143,1142,1143,1142,1143,
&end
#
# 0 AMB 20-3:1865 0 AMB 20-2:1865 5.00 (# 1865:20 Double Ambig)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1198,1199, 386, 387,
igr2=1192,1193,1192,1193,
&end
#
# 0 AMB 20-3:1866 0 AMB 20-2:1866 2.70 (# 1866:20 Double Ambig)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1189,1190,1195,1196,
igr2=1192,1193,1192,1193,
&end
#
# 79 LYS HB+ 79 LYS HG+ 3.50 (# 1867:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1189,1190,
igr2=1192,1193,
&end
#
# 92 LYS HA 92 LYS QG 5.00 (# 1873:20 Unique 3.65, 3.99 A)
&rst
ixpk= 1873, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1385,1386,
&end
#
# 0 AMB 20-3:1874 92 LYS QG 5.00 (# 1874:20 Single Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1391,1392, 585, 586,1368,1369,
igr2=1385,1386,
&end
#
# 17 ARG HB- 34 ALA MB 2.70 (# 1876:20 Unique 2.16, 3.79 A)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 255, 256,
igr2= 507, 508, 509,
&end
#
# 35 CYS HN 34 ALA MB 3.50 (# 1877:20 Unique 2.40, 3.47 A)
&rst
ixpk= 1877, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 507, 508, 509,
&end
#
# 34 ALA HN 34 ALA MB 3.50 (# 1878:20 Unique 2.54, 3.30 A)
&rst
ixpk= 1878, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 507, 508, 509,
&end
#
# 34 ALA HA 34 ALA MB 3.50 (# 1879:20 Unique 2.37, 2.70 A)
&rst
ixpk= 1879, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 507, 508, 509,
&end
#
# 17 ARG HD- 34 ALA MB 5.00 (# 1880:20 Unique 2.38, 4.45 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 261, 262,
igr2= 507, 508, 509,
&end
#
# 0 AMB 20-3:1882 34 ALA MB 3.50 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1048,1049, 279, 280,
igr2= 507, 508, 509,
&end
#
# 89 ALA MB 37 ALA MB 3.50 (# 1883:20 Unique 2.14, 3.32 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1343,1344,1345,
igr2= 539, 540, 541,
&end
#
# 32 THR MG2 34 ALA MB 3.50 (# 1884:20 Unique 3.66, 5.61 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 476, 477, 478,
igr2= 507, 508, 509,
&end
#
# 37 ALA HN 37 ALA MB 3.50 (# 1886:20 Unique 2.38, 2.97 A)
&rst
ixpk= 1886, nxpk= 20, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 539, 540, 541,
&end
#
# 38 ASP HN 37 ALA MB 3.50 (# 1887:20 Preassigned 3.94, 4.33 A)
&rst
ixpk= 1887, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 539, 540, 541,
&end
#
# 37 ALA HA 37 ALA MB 3.50 (# 1888:20 Unique 2.36, 2.62 A)
&rst
ixpk= 1888, nxpk= 20, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 539, 540, 541,
&end
#
# 36 ASP HA 37 ALA MB 5.00 (# 1889:20 Preassigned 4.53, 5.06 A)
&rst
ixpk= 1889, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 539, 540, 541,
&end
#
# 45 MET ME 37 ALA MB 2.70 (# 1890:20 Preassigned 2.52, 4.31 A)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 652, 653, 654,
igr2= 539, 540, 541,
&end
#
# 0 AMB 20-3:1891 37 ALA MB 2.70 (# 1891:20 Single Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 205, 617, 618,
igr2= 539, 540, 541,
&end
#
# 92 LYS QD 92 LYS QG 2.70 (# 1892:20 Unique 2.26, 2.62 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1388,1389,
igr2=1385,1386,
&end
#
# 14 VAL MGX 37 ALA MB 3.50 (# 1895:20 Unique 2.38, 4.96 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 539, 540, 541,
&end
#
# 23 ALA HN 23 ALA MB 3.50 (# 1899:20 Preassigned 2.84, 3.56 A)
&rst
ixpk= 1899, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 352, 353, 354,
&end
#
# 24 THR HN 23 ALA MB 3.50 (# 1900:20 Preassigned 2.34, 3.33 A)
&rst
ixpk= 1900, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 352, 353, 354,
&end
#
# 23 ALA HA 23 ALA MB 2.70 (# 1901:20 Preassigned 2.40, 2.68 A)
&rst
ixpk= 1901, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 352, 353, 354,
&end
#
# 0 AMB 20-3:1902 23 ALA MB 2.70 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1163,1164,1165, 464, 465, 466,1167,1168,1169,1530,
1531,1532,1534,1535,1536,1530,1531,1532,1534,1535,
1536,
igr2= 352, 353, 354,
&end
#
# 98 ALA HN 98 ALA MB 3.50 (# 1911:20 Preassigned 2.85, 3.46 A)
&rst
ixpk= 1911, nxpk= 20, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1465,1466,1467,
&end
#
# 99 THR HN 98 ALA MB 3.50 (# 1912:20 Preassigned 2.10, 3.03 A)
&rst
ixpk= 1912, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1465,1466,1467,
&end
#
# 98 ALA HA 98 ALA MB 2.70 (# 1913:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 1913, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1465,1466,1467,
&end
#
# 15 ARG HA 98 ALA MB 3.50 (# 1914:20 Preassigned 2.29, 3.02 A)
&rst
ixpk= 1914, nxpk= 20, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1465,1466,1467,
&end
#
# 14 VAL MGY 98 ALA MB 2.70 (# 1916:20 Preassigned 2.72, 4.95 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 207, 208, 209, 211, 212, 213,
igr2=1465,1466,1467,
&end
#
# 16 ALA HN 98 ALA MB 3.50 (# 1917:20 Preassigned 2.68, 3.26 A)
&rst
ixpk= 1917, nxpk= 20, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1465,1466,1467,
&end
#
# 24 THR HN 24 THR MG2 5.00 (# 1922:20 Unique 4.19, 4.50 A)
&rst
ixpk= 1922, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 364, 365, 366,
&end
#
# 24 THR HB 24 THR MG2 2.70 (# 1923:20 Preassigned 2.36, 2.66 A)
&rst
ixpk= 1923, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 364, 365, 366,
&end
#
# 25 ALA HN 24 THR MG2 5.00 (# 1924:20 Unique 2.71, 3.92 A)
&rst
ixpk= 1924, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 364, 365, 366,
&end
#
# 107 LYS HB+ 24 THR MG2 5.00 (# 1925:20 Unique 3.34, 5.07 A)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1612,1613,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-3:1927 46 THR MG2 5.00 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1333,1334,1335,1326,1327,1328,
igr2= 664, 665, 666,
&end
#
# 84 GLU HN 83 ALA MB 3.50 (# 1930:20 Unique 2.21, 3.35 A)
&rst
ixpk= 1930, nxpk= 20, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1249,1250,1251,
&end
#
# 83 ALA HA 83 ALA MB 5.00 (# 1931:20 Preassigned 2.36, 2.69 A)
&rst
ixpk= 1931, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1249,1250,1251,
&end
#
# 82 GLU HA 83 ALA MB 5.00 (# 1932:20 Preassigned 4.09, 4.74 A)
&rst
ixpk= 1932, nxpk= 20, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1249,1250,1251,
&end
#
# 49 LYS QD 83 ALA MB 5.00 (# 1933:20 Unique 3.89, 5.18 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 720, 721,
igr2=1249,1250,1251,
&end
#
# 102 LEU HB- 83 ALA MB 2.70 (# 1934:20 Unique 2.26, 4.28 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1525,1526,
igr2=1249,1250,1251,
&end
#
# 54 ILE MD1 83 ALA MB 3.50 (# 1936:20 Preassigned 3.69, 5.59 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 793, 794, 795,
igr2=1249,1250,1251,
&end
#
# 20 THR HN 20 THR MG2 5.00 (# 1939:20 Preassigned 4.42, 4.77 A)
&rst
ixpk= 1939, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 309, 310, 311,
&end
#
# 24 THR HA 24 THR MG2 3.50 (# 1940:20 Unique 2.27, 3.03 A)
&rst
ixpk= 1940, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 364, 365, 366,
&end
#
# 107 LYS HA 24 THR MG2 5.00 (# 1942:20 Unique 2.31, 3.30 A)
&rst
ixpk= 1942, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-3:1946 24 THR MG2 3.50 (# 1946:20 Single Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
igr2= 364, 365, 366,
&end
#
# 44 THR HN 44 THR MG2 5.00 (# 1951:20 Preassigned 4.37, 4.66 A)
&rst
ixpk= 1951, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 633, 634, 635,
&end
#
# 45 MET HN 44 THR MG2 3.50 (# 1952:20 Preassigned 3.44, 4.19 A)
&rst
ixpk= 1952, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 633, 634, 635,
&end
#
# 44 THR HA 44 THR MG2 2.70 (# 1957:20 Preassigned 2.41, 3.09 A)
&rst
ixpk= 1957, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 633, 634, 635,
&end
#
# 44 THR HB 44 THR MG2 2.70 (# 1958:20 Preassigned 2.42, 2.68 A)
&rst
ixpk= 1958, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 633, 634, 635,
&end
#
# 83 ALA HN 83 ALA MB 3.50 (# 1966:20 Preassigned 2.86, 3.42 A)
&rst
ixpk= 1966, nxpk= 20, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1249,1250,1251,
&end
#
# 49 LYS QE 83 ALA MB 3.50 (# 1967:20 Preassigned 2.65, 4.52 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 723, 724,
igr2=1249,1250,1251,
&end
#
# 21 MET HN 20 THR MG2 3.50 (# 1970:20 Unique 2.63, 3.67 A)
&rst
ixpk= 1970, nxpk= 20, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 309, 310, 311,
&end
#
# 20 THR HA 20 THR MG2 3.50 (# 1971:20 Unique 2.37, 3.11 A)
&rst
ixpk= 1971, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 309, 310, 311,
&end
#
# 20 THR HB 20 THR MG2 2.70 (# 1972:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1972, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 309, 310, 311,
&end
#
# 101 HIS QB 20 THR MG2 3.50 (# 1973:20 Unique 2.29, 4.11 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1508,1509,
igr2= 309, 310, 311,
&end
#
# 10 VAL HA 10 VAL MG1 3.50 (# 1986:20 Preassigned 2.48, 3.14 A)
&rst
ixpk= 1986, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 152, 153, 154,
&end
#
# 11 PRO HD+ 10 VAL MG1 3.50 (# 1987:20 Preassigned 2.79, 4.27 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 163, 164,
igr2= 152, 153, 154,
&end
#
# 39 GLY HA- 10 VAL MG1 5.00 (# 1988:20 Preassigned 2.37, 4.27 A)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 559, 560,
igr2= 152, 153, 154,
&end
#
# 10 VAL HB 10 VAL MG1 3.50 (# 1989:20 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1989, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 152, 153, 154,
&end
#
# 107 LYS HN 106 ALA MB 5.00 (# 1997:20 Preassigned 4.36, 4.51 A)
&rst
ixpk= 1997, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1602,1603,1604,
&end
#
# 106 ALA HA 106 ALA MB 2.70 (# 1998:20 Preassigned 2.41, 2.65 A)
&rst
ixpk= 1998, nxpk= 20, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1602,1603,1604,
&end
#
# 106 ALA HN 106 ALA MB 5.00 (# 2003:20 Preassigned 2.42, 2.87 A)
&rst
ixpk= 2003, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1602,1603,1604,
&end
#
# 0 AMB 20-3:2005 106 ALA MB 3.50 (# 2005:20 Single Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1195,1196,1612,1613,
igr2=1602,1603,1604,
&end
#
# 79 LYS HN 25 ALA MB 5.00 (# 2008:20 Preassigned 2.51, 3.79 A)
&rst
ixpk= 2008, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 376, 377, 378,
&end
#
# 78 ASP HA 25 ALA MB 3.50 (# 2009:20 Preassigned 3.38, 4.35 A)
&rst
ixpk= 2009, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 104 VAL HB 104 VAL MGY 2.70 (# 2010:20 Preassigned 2.30, 2.66 A)
&rst
ixpk= 2010, nxpk= 20, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL MGX 25 ALA MB 2.70 (# 2011:20 Preassigned 2.15, 5.29 A)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1568,1569,1570,1572,1573,1574,
igr2= 376, 377, 378,
&end
#
# 25 ALA HN 25 ALA MB 3.50 (# 2012:20 Preassigned 2.42, 2.95 A)
&rst
ixpk= 2012, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 26 ASN HN 25 ALA MB 5.00 (# 2013:20 Preassigned 2.00, 3.22 A)
&rst
ixpk= 2013, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 376, 377, 378,
&end
#
# 106 ALA HA 25 ALA MB 3.50 (# 2014:20 Preassigned 2.17, 2.84 A)
&rst
ixpk= 2014, nxpk= 20, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 25 ALA HA 25 ALA MB 3.50 (# 2015:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 2015, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 77 VAL MG1 25 ALA MB 3.50 (# 2016:20 Preassigned 5.19, 6.92 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1163,1164,1165,
igr2= 376, 377, 378,
&end
#
# 93 ALA HN 93 ALA MB 3.50 (# 2017:20 Unique 2.44, 2.97 A)
&rst
ixpk= 2017, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1404,1405,1406,
&end
#
# 0 AMB 20-3:2018 93 ALA MB 2.70 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 172,1402,
igr2=1404,1405,1406,
&end
#
# 12 PRO HD+ 93 ALA MB 3.50 (# 2019:20 Preassigned 3.69, 5.01 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 177, 178,
igr2=1404,1405,1406,
&end
#
# 12 PRO HD- 93 ALA MB 5.00 (# 2020:20 Preassigned 3.69, 5.01 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 177, 178,
igr2=1404,1405,1406,
&end
#
# 9 ASN QB 93 ALA MB 3.50 (# 2021:20 Unique 2.11, 3.64 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 136, 137,
igr2=1404,1405,1406,
&end
#
# 11 PRO QG 93 ALA MB 2.70 (# 2022:20 Preassigned 2.42, 4.19 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 166, 167,
igr2=1404,1405,1406,
&end
#
# 0 AMB 20-3:2023 0 AMB 20-2:2023 3.50 (# 2023:20 Double Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1=1528, 376, 377, 378, 352, 353, 354,1465,1466,1467,
igr2=1568,1569,1570,1572,1573,1574, 207, 208, 209, 211,
212, 213,
&end
#
# 14 VAL HB 14 VAL MGY 3.50 (# 2026:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 2026, nxpk= 20, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 17 ARG HN 16 ALA MB 5.00 (# 2041:20 Preassigned 3.38, 4.26 A)
&rst
ixpk= 2041, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 245, 246, 247,
&end
#
# 35 CYS HA 16 ALA MB 5.00 (# 2046:20 Unique 4.26, 4.78 A)
&rst
ixpk= 2046, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 245, 246, 247,
&end
#
# 16 ALA HN 16 ALA MB 2.70 (# 2047:20 Unique 2.44, 2.93 A)
&rst
ixpk= 2047, nxpk= 20, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 245, 246, 247,
&end
#
# 36 ASP HA 45 MET ME 5.00 (# 2068:20 Preassigned 4.27, 5.76 A)
&rst
ixpk= 2068, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 652, 653, 654,
&end
#
# 70 SER HA 45 MET ME 3.50 (# 2069:20 Preassigned 3.48, 5.22 A)
&rst
ixpk= 2069, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 652, 653, 654,
&end
#
# 89 ALA MB 45 MET ME 3.50 (# 2072:20 Preassigned 3.14, 5.36 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1343,1344,1345,
igr2= 652, 653, 654,
&end
#
# 14 VAL MGX 45 MET ME 3.50 (# 2073:20 Preassigned 2.55, 5.35 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 652, 653, 654,
&end
#
# 0 AMB 20-3:2074 45 MET ME 3.50 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 535, 513,
igr2= 652, 653, 654,
&end
#
# 45 MET HN 45 MET ME 5.00 (# 2075:20 Preassigned 5.49, 6.02 A)
&rst
ixpk= 2075, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 652, 653, 654,
&end
#
# 70 SER QB 45 MET ME 5.00 (# 2076:20 Unique 2.49, 5.66 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1034,1035,
igr2= 652, 653, 654,
&end
#
# 35 CYS HB+ 45 MET ME 3.50 (# 2077:20 Preassigned 2.38, 4.18 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 517, 518,
igr2= 652, 653, 654,
&end
#
# 35 CYS HB- 45 MET ME 3.50 (# 2078:20 Preassigned 2.38, 4.18 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 517, 518,
igr2= 652, 653, 654,
&end
#
# 37 ALA MB 45 MET ME 2.70 (# 2087:20 Preassigned 2.52, 4.31 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 539, 540, 541,
igr2= 652, 653, 654,
&end
#
# 85 TYR QE 100 ILE MD1 5.00 (# 2092:20 Preassigned 3.68, 6.07 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1280,1285,
igr2=1498,1499,1500,
&end
#
# 47 TRP HZ3 100 ILE MD1 5.00 (# 2093:20 Preassigned 2.14, 3.08 A)
&rst
ixpk= 2093, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1498,1499,1500,
&end
#
# 100 ILE HB 100 ILE MD1 3.50 (# 2094:20 Preassigned 2.31, 3.07 A)
&rst
ixpk= 2094, nxpk= 20, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1498,1499,1500,
&end
#
# 34 ALA HN 100 ILE MD1 5.00 (# 2100:20 Unique 2.72, 3.86 A)
&rst
ixpk= 2100, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1498,1499,1500,
&end
#
# 100 ILE HG1+ 100 ILE MD1 2.70 (# 2102:20 Unique 2.33, 2.67 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1495,1496,
igr2=1498,1499,1500,
&end
#
# 100 ILE MG2 100 ILE MD1 3.50 (# 2105:20 Unique 2.20, 3.61 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1491,1492,1493,
igr2=1498,1499,1500,
&end
#
# 33 LEU MDX 100 ILE MD1 3.50 (# 2107:20 Unique 2.43, 5.36 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 493, 494, 495, 497, 498, 499,
igr2=1498,1499,1500,
&end
#
# 0 AMB 20-3:2172 88 ILE HG1- 2.70 (# 2172:20 Single Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1326,1327,1328,1333,1334,1335,1297,1298,1299,
igr2=1330,1331,
&end
#
# 54 ILE MD1 54 ILE HG1- 3.50 (# 2179:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 793, 794, 795,
igr2= 790, 791,
&end
#
# 102 LEU HB+ 102 LEU MDY 3.50 (# 2188:20 Unique 2.32, 3.42 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1525,1526,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 0 AMB 20-3:2190 102 LEU MDY 2.70 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 493, 494, 495, 497, 498, 499,1107,1108,1109,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 33 LEU MDY 102 LEU MDY 5.00 (# 2191:20 Unique 2.14, 4.86 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 493, 494, 495, 497, 498, 499,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 0 AMB 20-3:2194 102 LEU MDY 3.50 (# 2194:20 Single Ambig)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1528, 352, 353, 354,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 102 LEU HB- 102 LEU MDY 3.50 (# 2195:20 Unique 2.32, 3.42 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1525,1526,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 104 VAL MGX 102 LEU MDY 3.50 (# 2196:20 Unique 2.10, 5.67 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1568,1569,1570,1572,1573,1574,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 24 THR HB 27 LEU MDY 3.50 (# 2197:20 Unique 2.21, 4.24 A)
&rst
ixpk= 2197, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 27 LEU HB- 27 LEU MDY 3.50 (# 2198:20 Preassigned 2.34, 3.31 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 24 THR MG2 27 LEU MDY 3.50 (# 2199:20 Preassigned 2.20, 4.87 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 364, 365, 366,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 37 ALA HA 14 VAL MGX 5.00 (# 2203:20 Unique 2.87, 4.46 A)
&rst
ixpk= 2203, nxpk= 20, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 15 ARG HN 14 VAL MGX 3.50 (# 2204:20 Unique 2.70, 4.61 A)
&rst
ixpk= 2204, nxpk= 20, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 35 CYS HB+ 14 VAL MGX 3.50 (# 2205:20 Unique 2.37, 5.84 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 517, 518,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-3:2206 14 VAL MGX 3.50 (# 2206:20 Single Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 517, 518,1439,1440,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 45 MET ME 14 VAL MGX 5.00 (# 2207:20 Preassigned 2.55, 5.35 A)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 652, 653, 654,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 14 VAL HB 14 VAL MGX 3.50 (# 2208:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 2208, nxpk= 20, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 37 ALA MB 14 VAL MGX 2.70 (# 2210:20 Preassigned 2.38, 4.96 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 539, 540, 541,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 89 ALA MB 14 VAL MGX 3.50 (# 2211:20 Unique 2.39, 4.19 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1343,1344,1345,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 23 ALA HN 102 LEU MDX 5.00 (# 2212:20 Preassigned 3.85, 5.77 A)
&rst
ixpk= 2212, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 102 LEU HA 102 LEU MDX 2.70 (# 2213:20 Preassigned 2.27, 3.68 A)
&rst
ixpk= 2213, nxpk= 20, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 21 MET HB3 102 LEU MDX 3.50 (# 2214:20 Preassigned 2.37, 4.61 A)
&rst
ixpk= 2214, nxpk= 20, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 0 AMB 20-3:2215 102 LEU MDX 2.70 (# 2215:20 Single Ambig)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1528, 352, 353, 354,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 22 ASN HA 102 LEU MDX 5.00 (# 2217:20 Preassigned 2.25, 4.66 A)
&rst
ixpk= 2217, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 102 LEU HB+ 102 LEU MDX 3.50 (# 2218:20 Unique 2.32, 3.42 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1525,1526,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 33 LEU MDX 102 LEU MDX 3.50 (# 2220:20 Preassigned 2.14, 4.86 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 493, 494, 495, 497, 498, 499,
igr2=1530,1531,1532,1534,1535,1536,
&end
#
# 30 SER HA 77 VAL MG2 3.50 (# 2223:20 Unique 3.58, 4.61 A)
&rst
ixpk= 2223, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1167,1168,1169,
&end
#
# 77 VAL HA 77 VAL MG2 3.50 (# 2224:20 Unique 2.35, 3.12 A)
&rst
ixpk= 2224, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1167,1168,1169,
&end
#
# 77 VAL HB 77 VAL MG2 2.70 (# 2225:20 Unique 2.43, 2.67 A)
&rst
ixpk= 2225, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1167,1168,1169,
&end
#
# 74 ILE HB 77 VAL MG2 5.00 (# 2226:20 Unique 2.31, 3.15 A)
&rst
ixpk= 2226, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1167,1168,1169,
&end
#
# 74 ILE HN 77 VAL MG2 5.00 (# 2229:20 Preassigned 4.45, 5.36 A)
&rst
ixpk= 2229, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1167,1168,1169,
&end
#
# 77 VAL HN 77 VAL MG2 3.50 (# 2230:20 Preassigned 2.11, 3.30 A)
&rst
ixpk= 2230, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1167,1168,1169,
&end
#
# 27 LEU HA 27 LEU MDX 3.50 (# 2231:20 Unique 2.14, 3.77 A)
&rst
ixpk= 2231, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 27 LEU HB+ 27 LEU MDX 3.50 (# 2232:20 Preassigned 2.34, 3.31 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 27 LEU HG 27 LEU MDX 3.50 (# 2233:20 Preassigned 2.38, 2.67 A)
&rst
ixpk= 2233, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 27 LEU HB- 27 LEU MDX 3.50 (# 2234:20 Preassigned 2.34, 3.31 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 24 THR MG2 27 LEU MDX 2.70 (# 2235:20 Preassigned 2.20, 4.87 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 364, 365, 366,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-3:2237 0 AMB 20-2:2237 3.50 (# 2237:20 Double Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1104,1105,1167,1168,1169,
igr2= 909, 910, 909, 910,
&end
#
# 78 ASP HN 77 VAL MG1 3.50 (# 2238:20 Unique 2.19, 3.36 A)
&rst
ixpk= 2238, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1163,1164,1165,
&end
#
# 77 VAL HN 77 VAL MG1 5.00 (# 2239:20 Preassigned 4.39, 4.66 A)
&rst
ixpk= 2239, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1163,1164,1165,
&end
#
# 77 VAL HA 77 VAL MG1 2.70 (# 2240:20 Unique 2.30, 3.14 A)
&rst
ixpk= 2240, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1163,1164,1165,
&end
#
# 0 AMB 20-3:2241 77 VAL MG1 3.50 (# 2241:20 Single Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161, 400, 401,
igr2=1163,1164,1165,
&end
#
# 23 ALA MB 77 VAL MG1 2.70 (# 2242:20 Unique 2.08, 3.49 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 352, 353, 354,
igr2=1163,1164,1165,
&end
#
# 99 THR HA 99 THR MG2 3.50 (# 2250:20 Unique 2.63, 3.24 A)
&rst
ixpk= 2250, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1477,1478,1479,
&end
#
# 99 THR HB 99 THR MG2 2.70 (# 2251:20 Unique 2.44, 2.68 A)
&rst
ixpk= 2251, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1477,1478,1479,
&end
#
# 0 AMB 20-3:2252 0 AMB 20-2:2252 2.70 (# 2252:20 Double Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 183, 184, 180, 181,1262,1263,
igr2=1343,1344,1345,1477,1478,1479,
&end
#
# 33 LEU HN 32 THR MG2 3.50 (# 2259:20 Unique 2.89, 3.63 A)
&rst
ixpk= 2259, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 476, 477, 478,
&end
#
# 32 THR HA 32 THR MG2 3.50 (# 2260:20 Unique 2.42, 3.10 A)
&rst
ixpk= 2260, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 476, 477, 478,
&end
#
# 32 THR HB 32 THR MG2 2.70 (# 2261:20 Preassigned 2.42, 2.67 A)
&rst
ixpk= 2261, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 476, 477, 478,
&end
#
# 71 GLU QB 32 THR MG2 2.70 (# 2262:20 Unique 2.51, 4.05 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1045,1046,
igr2= 476, 477, 478,
&end
#
# 0 AMB 20-3:2263 0 AMB 20-2:2263 3.50 (# 2263:20 Double Ambig)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 426,1094,
igr2= 464, 465, 466, 460, 461, 462,
&end
#
# 31 VAL HA 0 AMB 20-2:2264 3.50 (# 2264:20 Single Ambig)
&rst
ixpk= 2264, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 464, 465, 466, 460, 461, 462,
&end
#
# 31 VAL HB 0 AMB 20-2:2265 3.50 (# 2265:20 Single Ambig)
&rst
ixpk= 2265, nxpk= 20, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 464, 465, 466, 460, 461, 462,
&end
#
# 0 AMB 20-3:2266 0 AMB 20-2:2266 3.50 (# 2266:20 Double Ambig)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 491,1098,
igr2= 460, 461, 462, 464, 465, 466,
&end
#
# 23 ALA MB 0 AMB 20-2:2267 3.50 (# 2267:20 Single Ambig)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 352, 353, 354,
igr2= 464, 465, 466, 460, 461, 462,
&end
#
# 0 AMB 20-3:2270 31 VAL MG1 3.50 (# 2270:20 Single Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 493, 494, 495, 497, 498, 499,1107,1108,1109,
igr2= 460, 461, 462,
&end
#
# 33 LEU MDY 31 VAL MG1 3.50 (# 2271:20 Unique 2.31, 5.38 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 460, 461, 462,
&end
#
# 73 ILE HG1+ 32 THR MG2 3.50 (# 2275:20 Unique 2.24, 3.86 A)
&rst
ixpk= 2275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,
igr2= 476, 477, 478,
&end
#
# 0 AMB 20-3:2276 0 AMB 20-2:2276 3.50 (# 2276:20 Double Ambig)
&rst
ixpk= 2276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1085,1086, 588, 589,
igr2= 476, 477, 478, 122, 123, 124,
&end
#
# 6 VAL HA 6 VAL MG1 5.00 (# 2282:20 Preassigned 2.43, 3.15 A)
&rst
ixpk= 2282, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 87, 88, 89,
&end
#
# 32 THR HN 31 VAL MG1 3.50 (# 2283:20 Preassigned 2.49, 3.54 A)
&rst
ixpk= 2283, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 460, 461, 462,
&end
#
# 21 MET ME 31 VAL MG1 3.50 (# 2284:20 Preassigned 2.86, 3.91 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 328, 329, 330,
igr2= 460, 461, 462,
&end
#
# 21 MET HB3 31 VAL MG1 5.00 (# 2285:20 Preassigned 3.69, 5.12 A)
&rst
ixpk= 2285, nxpk= 20, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 460, 461, 462,
&end
#
# 49 LYS HN 48 THR MG2 5.00 (# 2290:20 Preassigned 4.27, 5.03 A)
&rst
ixpk= 2290, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 702, 703, 704,
&end
#
# 48 THR HA 48 THR MG2 3.50 (# 2292:20 Preassigned 2.40, 3.16 A)
&rst
ixpk= 2292, nxpk= 20, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 702, 703, 704,
&end
#
# 53 PRO HA 48 THR MG2 3.50 (# 2293:20 Preassigned 2.16, 3.44 A)
&rst
ixpk= 2293, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 702, 703, 704,
&end
#
# 48 THR HB 48 THR MG2 2.70 (# 2294:20 Preassigned 2.40, 2.67 A)
&rst
ixpk= 2294, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 702, 703, 704,
&end
#
# 8 VAL HN 8 VAL MG2 5.00 (# 2297:20 Preassigned 2.44, 3.78 A)
&rst
ixpk= 2297, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 126, 127, 128,
&end
#
# 8 VAL HA 8 VAL MG2 2.70 (# 2298:20 Preassigned 2.44, 3.13 A)
&rst
ixpk= 2298, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 126, 127, 128,
&end
#
# 8 VAL HB 8 VAL MG2 5.00 (# 2299:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 2299, nxpk= 20, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 126, 127, 128,
&end
#
# 101 HIS HN 100 ILE MG2 3.50 (# 2309:20 Unique 2.25, 3.45 A)
&rst
ixpk= 2309, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1491,1492,1493,
&end
#
# 100 ILE HA 100 ILE MG2 3.50 (# 2310:20 Unique 2.40, 2.92 A)
&rst
ixpk= 2310, nxpk= 20, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1491,1492,1493,
&end
#
# 19 SER HA 100 ILE MG2 5.00 (# 2311:20 Unique 2.37, 4.05 A)
&rst
ixpk= 2311, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1491,1492,1493,
&end
#
# 0 AMB 20-3:2312 0 AMB 20-2:2312 3.50 (# 2312:20 Double Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 71, 72, 324, 325,
igr2= 51, 52, 53,1491,1492,1493,
&end
#
# 100 ILE HG1+ 100 ILE MG2 3.50 (# 2313:20 Unique 2.49, 3.57 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1495,1496,
igr2=1491,1492,1493,
&end
#
# 0 AMB 20-3:2314 0 AMB 20-2:2314 3.50 (# 2314:20 Double Ambig)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 55, 56,1495,1496,
igr2= 51, 52, 53,1491,1492,1493,
&end
#
# 0 AMB 20-3:2315 100 ILE MG2 3.50 (# 2315:20 Single Ambig)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1498,1499,1500, 245, 246, 247,
igr2=1491,1492,1493,
&end
#
# 33 LEU MDX 100 ILE MG2 3.50 (# 2316:20 Unique 2.29, 5.75 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 493, 494, 495, 497, 498, 499,
igr2=1491,1492,1493,
&end
#
# 4 ILE HB 4 ILE MG2 3.50 (# 2317:20 Preassigned 2.38, 2.68 A)
&rst
ixpk= 2317, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-3:2318 0 AMB 20-2:2318 3.50 (# 2318:20 Double Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 55, 56,1525,1526,
igr2= 51, 52, 53,1491,1492,1493,
&end
#
# 4 ILE HA 4 ILE MG2 5.00 (# 2321:20 Unique 2.44, 3.04 A)
&rst
ixpk= 2321, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 51, 52, 53,
&end
#
# 8 VAL HN 7 ILE MG2 3.50 (# 2324:20 Unique 2.78, 3.95 A)
&rst
ixpk= 2324, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 103, 104, 105,
&end
#
# 0 AMB 20-3:2326 7 ILE MG2 3.50 (# 2326:20 Single Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 99, 118,
igr2= 103, 104, 105,
&end
#
# 7 ILE HB 7 ILE MG2 2.70 (# 2327:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2327, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 103, 104, 105,
&end
#
# 0 AMB 20-3:2328 7 ILE MG2 3.50 (# 2328:20 Single Ambig)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 107, 108, 152, 153, 154,
igr2= 103, 104, 105,
&end
#
# 0 AMB 20-3:2332 74 ILE MG2 3.50 (# 2332:20 Single Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1096,1115,
igr2=1100,1101,1102,
&end
#
# 63 TYR QB 74 ILE MG2 3.50 (# 2333:20 Unique 3.38, 5.12 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 928, 929,
igr2=1100,1101,1102,
&end
#
# 74 ILE HB 74 ILE MG2 3.50 (# 2334:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2334, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1100,1101,1102,
&end
#
# 74 ILE MD1 74 ILE MG2 3.50 (# 2335:20 Unique 2.16, 3.84 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1107,1108,1109,
igr2=1100,1101,1102,
&end
#
# 73 ILE HN 73 ILE MD1 3.50 (# 2345:20 Unique 2.16, 3.27 A)
&rst
ixpk= 2345, nxpk= 20, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1088,1089,1090,
&end
#
# 64 SER HB+ 73 ILE MD1 5.00 (# 2346:20 Unique 2.97, 4.77 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 949, 950,
igr2=1088,1089,1090,
&end
#
# 73 ILE HG1- 73 ILE MD1 2.70 (# 2347:20 Preassigned 2.35, 2.66 A)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1085,1086,
igr2=1088,1089,1090,
&end
#
# 86 ILE HN 54 ILE MD1 5.00 (# 2348:20 Preassigned 4.25, 5.46 A)
&rst
ixpk= 2348, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 793, 794, 795,
&end
#
# 54 ILE HG1+ 54 ILE MD1 3.50 (# 2349:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 790, 791,
igr2= 793, 794, 795,
&end
#
# 0 AMB 20-3:2352 0 AMB 20-2:2352 2.70 (# 2352:20 Double Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 784,1295,
igr2= 793, 794, 795,1304,1305,1306,
&end
#
# 0 AMB 20-3:2353 0 AMB 20-2:2353 3.50 (# 2353:20 Double Ambig)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 714, 715,1301,1302,
igr2= 793, 794, 795,1304,1305,1306,
&end
#
# 0 AMB 20-3:2356 54 ILE MD1 3.50 (# 2356:20 Single Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1278,1287, 691,
igr2= 793, 794, 795,
&end
#
# 85 TYR QE 54 ILE MD1 3.50 (# 2357:20 Unique 2.27, 4.54 A)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1280,1285,
igr2= 793, 794, 795,
&end
#
# 47 TRP HB2 54 ILE MD1 5.00 (# 2358:20 Preassigned 2.18, 3.63 A)
&rst
ixpk= 2358, nxpk= 20, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 793, 794, 795,
&end
#
# 47 TRP HB3 54 ILE MD1 5.00 (# 2359:20 Preassigned 3.76, 5.24 A)
&rst
ixpk= 2359, nxpk= 20, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 793, 794, 795,
&end
#
# 54 ILE MG2 54 ILE MD1 3.50 (# 2360:20 Unique 2.08, 3.77 A)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 786, 787, 788,
igr2= 793, 794, 795,
&end
#
# 72 LEU MDX 54 ILE MD1 3.50 (# 2361:20 Unique 3.69, 6.21 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1065,1066,1067,1069,1070,1071,
igr2= 793, 794, 795,
&end
#
# 4 ILE HG1- 4 ILE MD1 2.70 (# 2362:20 Unique 2.33, 2.65 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 55, 56,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-3:2366 4 ILE MD1 3.50 (# 2366:20 Single Ambig)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 55, 56, 18, 19,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-3:2368 7 ILE MD1 5.00 (# 2368:20 Single Ambig)
&rst
ixpk= 2368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 99, 83,
igr2= 110, 111, 112,
&end
#
# 7 ILE HB 7 ILE MD1 3.50 (# 2369:20 Unique 2.38, 3.23 A)
&rst
ixpk= 2369, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 110, 111, 112,
&end
#
# 7 ILE HG1+ 7 ILE MD1 2.70 (# 2370:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 107, 108,
igr2= 110, 111, 112,
&end
#
# 7 ILE HG1- 7 ILE MD1 2.70 (# 2371:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 107, 108,
igr2= 110, 111, 112,
&end
#
# 72 LEU MDX 72 LEU HB+ 5.00 (# 2416:20 Unique 2.21, 3.27 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1065,1066,1067,1069,1070,1071,
igr2=1060,1061,
&end
#
# 61 GLU HA 61 GLU QB 3.50 (# 2474:20 Unique 2.32, 2.77 A)
&rst
ixpk= 2474, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 891, 892,
&end
#
# 64 SER HN 64 SER HB- 5.00 (# 2475:20 Unique 2.94, 3.49 A)
&rst
ixpk= 2475, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 949, 950,
&end
#
# 0 AMB 20-3:2477 64 SER HB- 5.00 (# 2477:20 Single Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 956,1075,
igr2= 949, 950,
&end
#
# 0 AMB 20-3:2481 0 AMB 20-2:2481 5.00 (# 2481:20 Double Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1542, 294,
igr2=1550,1551,1495,1496,
&end
#
# 43 PRO HD+ 43 PRO HG- 5.00 (# 2491:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 62 LYS HB+ 75 LYS HG+ 2.70 (# 2499:20 Unique 3.20, 4.39 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 906, 907,
igr2=1120,1121,
&end
#
# 33 LEU HN 33 LEU MDY 5.00 (# 2506:20 Unique 2.27, 4.38 A)
&rst
ixpk= 2506, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 47 TRP HZ3 33 LEU MDY 5.00 (# 2507:20 Preassigned 2.34, 4.56 A)
&rst
ixpk= 2507, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2508 33 LEU MDY 3.50 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 488, 491,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 33 LEU HB3 33 LEU MDY 5.00 (# 2509:20 Preassigned 2.26, 3.34 A)
&rst
ixpk= 2509, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 100 ILE MG2 33 LEU MDY 3.50 (# 2510:20 Unique 2.29, 5.75 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1493,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2511 33 LEU MDY 2.70 (# 2511:20 Single Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536, 460, 461, 462,1104,1105,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2517 72 LEU MDX 2.70 (# 2517:20 Single Ambig)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1063, 793, 794, 795,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 0 AMB 20-3:2518 72 LEU MDX 3.50 (# 2518:20 Single Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1060,1061, 786, 787, 788, 493, 494, 495, 497, 498,
499,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 72 LEU HB- 72 LEU MDX 5.00 (# 2519:20 Unique 2.21, 3.27 A)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1060,1061,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 0 AMB 20-3:2521 72 LEU MDX 3.50 (# 2521:20 Single Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 493, 494, 495, 497, 498, 499,1107,1108,1109,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 33 LEU HN 33 LEU MDX 5.00 (# 2523:20 Unique 2.27, 4.38 A)
&rst
ixpk= 2523, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 100 ILE MG2 33 LEU MDX 3.50 (# 2529:20 Unique 2.29, 5.75 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1493,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2530 33 LEU MDX 2.70 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536, 460, 461, 462,1104,1105,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 21 MET ME 33 LEU MDX 5.00 (# 2536:20 Unique 2.35, 5.52 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 328, 329, 330,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2549 62 LYS HG- 5.00 (# 2549:20 Single Ambig)
&rst
ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 906, 907,1142,1143,
igr2= 909, 910,
&end
#
# 79 LYS HN 104 VAL MGX 3.50 (# 2563:20 Preassigned 3.50, 5.33 A)
&rst
ixpk= 2563, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 25 ALA HN 104 VAL MGX 3.50 (# 2564:20 Preassigned 2.17, 4.76 A)
&rst
ixpk= 2564, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL HA 104 VAL MGX 3.50 (# 2565:20 Preassigned 2.38, 3.15 A)
&rst
ixpk= 2565, nxpk= 20, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 25 ALA HA 104 VAL MGX 5.00 (# 2566:20 Preassigned 2.29, 4.04 A)
&rst
ixpk= 2566, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL HB 104 VAL MGX 3.50 (# 2567:20 Preassigned 2.30, 2.66 A)
&rst
ixpk= 2567, nxpk= 20, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 25 ALA MB 104 VAL MGX 3.50 (# 2568:20 Unique 2.15, 5.29 A)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 376, 377, 378,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 79 LYS HA 104 VAL MGX 3.50 (# 2571:20 Preassigned 2.24, 3.93 A)
&rst
ixpk= 2571, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 35 CYS HB- 14 VAL MGY 5.00 (# 2611:20 Preassigned 2.37, 5.84 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 517, 518,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 89 ALA HN 88 ILE MG2 3.50 (# 2623:20 Unique 2.66, 3.36 A)
&rst
ixpk= 2623, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1326,1327,1328,
&end
#
# 74 ILE HN 73 ILE MG2 2.70 (# 2628:20 Preassigned 3.12, 3.81 A)
&rst
ixpk= 2628, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1081,1082,1083,
&end
#
# 30 SER QB 73 ILE MG2 3.50 (# 2629:20 Unique 2.56, 4.34 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 447, 448,
igr2=1081,1082,1083,
&end
#
# 73 ILE HA 73 ILE MG2 3.50 (# 2635:20 Unique 2.33, 2.99 A)
&rst
ixpk= 2635, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1081,1082,1083,
&end
#
# 0 AMB 20-3:2636 73 ILE MG2 3.50 (# 2636:20 Single Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1079,1123,1124,
igr2=1081,1082,1083,
&end
#
# 73 ILE HG1- 73 ILE MG2 3.50 (# 2637:20 Unique 2.29, 3.16 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,
igr2=1081,1082,1083,
&end
#
# 75 LYS HN 74 ILE MG2 5.00 (# 2640:20 Unique 2.13, 3.09 A)
&rst
ixpk= 2640, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1100,1101,1102,
&end
#
# 54 ILE HN 54 ILE MG2 5.00 (# 2645:20 Preassigned 4.38, 4.56 A)
&rst
ixpk= 2645, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 786, 787, 788,
&end
#
# 54 ILE HG1- 54 ILE MG2 5.00 (# 2646:20 Unique 2.31, 3.41 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 790, 791,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-3:2648 54 ILE MG2 3.50 (# 2648:20 Single Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 868, 691, 932, 941,
igr2= 786, 787, 788,
&end
#
# 85 TYR QE 54 ILE MG2 3.50 (# 2649:20 Unique 3.73, 5.97 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1280,1285,
igr2= 786, 787, 788,
&end
#
# 47 TRP HH2 54 ILE MG2 5.00 (# 2650:20 Unique 5.62, 7.00 A)
&rst
ixpk= 2650, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 786, 787, 788,
&end
#
# 54 ILE HA 54 ILE MG2 3.50 (# 2651:20 Unique 2.40, 3.04 A)
&rst
ixpk= 2651, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 786, 787, 788,
&end
#
# 54 ILE HB 54 ILE MG2 2.70 (# 2652:20 Preassigned 2.35, 2.66 A)
&rst
ixpk= 2652, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 786, 787, 788,
&end
#
# 54 ILE MD1 54 ILE MG2 3.50 (# 2653:20 Unique 2.08, 3.77 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 793, 794, 795,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-3:2657 54 ILE MG2 5.00 (# 2657:20 Single Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 799, 831,
igr2= 786, 787, 788,
&end
#
# 56 GLN HG- 54 ILE MG2 5.00 (# 2658:20 Unique 2.83, 5.14 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 821, 822,
igr2= 786, 787, 788,
&end
#
# 63 TYR QE 74 ILE MD1 5.00 (# 2681:20 Unique 4.35, 6.35 A)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 934, 939,
igr2=1107,1108,1109,
&end
#
# 74 ILE HB 74 ILE MD1 3.50 (# 2683:20 Unique 2.36, 3.08 A)
&rst
ixpk= 2683, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1107,1108,1109,
&end
#
# 74 ILE HG1+ 74 ILE MD1 2.70 (# 2684:20 Preassigned 2.31, 2.67 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1104,1105,
igr2=1107,1108,1109,
&end
#
# 74 ILE MG2 74 ILE MD1 2.70 (# 2685:20 Preassigned 2.16, 3.84 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1100,1101,1102,
igr2=1107,1108,1109,
&end
#
# 72 LEU MDX 74 ILE MD1 3.50 (# 2688:20 Preassigned 2.55, 5.67 A)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1065,1066,1067,1069,1070,1071,
igr2=1107,1108,1109,
&end
#
# 53 PRO HD- 53 PRO HB- 5.00 (# 2750:20 Unique 2.69, 3.66 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 767, 768,
igr2= 773, 774,
&end
#
# 0 AMB 20-3:2762 62 LYS HD- 5.00 (# 2762:20 Single Ambig)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 904,1115,
igr2= 912, 913,
&end
#
# 42 GLU HN 40 PHE HA 5.00 (# 2782:20 Preassigned 3.20, 3.39 A)
&rst
ixpk= 2782, nxpk= 20, iat= 598, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR HN 23 ALA HA 3.50 (# 2796:20 Preassigned 2.39, 2.53 A)
&rst
ixpk= 2796, nxpk= 20, iat= 358, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:2798 86 ILE MD1 5.00 (# 2798:20 Single Ambig)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 698,1473,
igr2=1304,1305,1306,
&end
#
# 0 AMB 20-3:2807 95 GLU HA 2.70 (# 2807:20 Single Ambig)
&rst
ixpk= 2807, nxpk= 20, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1421,1422,1421,1422,1353,1354,
&end
#
# 0 AMB 20-3:2808 95 GLU HA 2.70 (# 2808:20 Single Ambig)
&rst
ixpk= 2808, nxpk= 20, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1424,1425,1356,1357,
&end
#
# 90 GLU HA 95 GLU HA 3.50 (# 2810:20 Preassigned 2.13, 2.19 A)
&rst
ixpk= 2810, nxpk= 20, iat=1351,1419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ILE MD1 47 TRP HA 5.00 (# 2812:20 Preassigned 2.46, 5.55 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1333,1334,1335,
&end
#
# 87 CYS HA 47 TRP HA 5.00 (# 2813:20 Unique 2.18, 2.27 A)
&rst
ixpk= 2813, nxpk= 20, iat=1312, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-3:2814 22 ASN HA 5.00 (# 2814:20 Single Ambig)
&rst
ixpk= 2814, nxpk= 20, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
&end
#
# 20 THR MG2 22 ASN HA 5.00 (# 2815:20 Preassigned 4.98, 6.54 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 103 LYS HN 22 ASN HA 5.00 (# 2818:20 Unique 2.55, 2.91 A)
&rst
ixpk= 2818, nxpk= 20, iat=1540, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 VAL MG1 10 VAL HA 5.00 (# 2819:20 Preassigned 2.48, 3.14 A)
&rst
ixpk= 2819, nxpk= 20, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 152, 153, 154,
&end
#
# 10 VAL HB 10 VAL HA 3.50 (# 2820:20 Preassigned 3.00, 3.02 A)
&rst
ixpk= 2820, nxpk= 20, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL MG2 10 VAL HA 5.00 (# 2822:20 Preassigned 2.44, 3.10 A)
&rst
ixpk= 2822, nxpk= 20, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 156, 157, 158,
&end
#
# 11 PRO HD+ 10 VAL HA 2.70 (# 2826:20 Preassigned 2.18, 2.34 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 163, 164,
&end
#
# 11 PRO HD- 10 VAL HA 3.50 (# 2827:20 Preassigned 2.18, 2.34 A)
&rst
ixpk= 2827, nxpk= 20, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 163, 164,
&end
#
# 10 VAL MG1 10 VAL HB 3.50 (# 2830:20 Preassigned 2.39, 2.65 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 152, 153, 154,
&end
#
# 10 VAL MG2 10 VAL HB 3.50 (# 2831:20 Preassigned 2.44, 2.67 A)
&rst
ixpk= 2831, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 156, 157, 158,
&end
#
# 40 PHE HN 10 VAL HB 3.50 (# 2834:20 Preassigned 2.04, 2.21 A)
&rst
ixpk= 2834, nxpk= 20, iat= 564, 150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:2850 74 ILE HA 3.50 (# 2850:20 Single Ambig)
&rst
ixpk= 2850, nxpk= 20, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1104,1105,1100,1101,1102,
&end
#
# 21 MET QG 33 LEU MDX 5.00 (# 2865:20 Preassigned 2.49, 5.01 A)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 324, 325,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 33 LEU HG 33 LEU MDX 2.70 (# 2867:20 Preassigned 2.36, 2.66 A)
&rst
ixpk= 2867, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 20-3:2868 33 LEU MDX 3.50 (# 2868:20 Single Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 489,1498,1499,1500,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 21 MET ME 33 LEU MDX 5.00 (# 2875:20 Unique 2.35, 5.52 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 328, 329, 330,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 33 LEU HA 33 LEU MDX 3.50 (# 2876:20 Preassigned 3.81, 4.75 A)
&rst
ixpk= 2876, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 85 TYR HB- 33 LEU MDX 5.00 (# 2877:20 Unique 4.53, 7.08 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1274,1275,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 47 TRP HN 46 THR HB 5.00 (# 2878:20 Preassigned 2.26, 2.90 A)
&rst
ixpk= 2878, nxpk= 20, iat= 672, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 THR MG2 46 THR HB 3.50 (# 2879:20 Preassigned 2.33, 2.66 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 664, 665, 666,
&end
#
# 46 THR HA 46 THR HB 5.00 (# 2880:20 Preassigned 2.29, 2.44 A)
&rst
ixpk= 2880, nxpk= 20, iat= 660, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ILE HA 88 ILE MG2 5.00 (# 2882:20 Unique 2.43, 3.12 A)
&rst
ixpk= 2882, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1326,1327,1328,
&end
#
# 0 AMB 20-3:2883 88 ILE MG2 3.50 (# 2883:20 Single Ambig)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1356,1357,1424,1425,
igr2=1326,1327,1328,
&end
#
# 0 AMB 20-3:2884 88 ILE MG2 3.50 (# 2884:20 Single Ambig)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1353,1354,1421,1422,1421,1422,1436,1437,
igr2=1326,1327,1328,
&end
#
# 88 ILE HB 88 ILE MG2 3.50 (# 2885:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2885, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1326,1327,1328,
&end
#
# 0 AMB 20-3:2886 0 AMB 20-2:2886 3.50 (# 2886:20 Double Ambig)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1330,1331,1330,1331,
igr2=1326,1327,1328,1297,1298,1299,
&end
#
# 0 AMB 20-3:2889 7 ILE MG2 5.00 (# 2889:20 Single Ambig)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 99, 118,
igr2= 103, 104, 105,
&end
#
# 7 ILE HB 7 ILE MG2 3.50 (# 2890:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2890, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 103, 104, 105,
&end
#
# 0 AMB 20-3:2891 7 ILE MG2 3.50 (# 2891:20 Single Ambig)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 107, 108, 152, 153, 154,
igr2= 103, 104, 105,
&end
#
# 97 ASP HB+ 86 ILE MG2 3.50 (# 2894:20 Unique 2.85, 4.55 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1453,1454,
igr2=1297,1298,1299,
&end
#
# 97 ASP HB- 86 ILE MG2 3.50 (# 2895:20 Unique 2.85, 4.55 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1453,1454,
igr2=1297,1298,1299,
&end
#
# 86 ILE HB 86 ILE MG2 3.50 (# 2896:20 Unique 2.37, 2.67 A)
&rst
ixpk= 2896, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1297,1298,1299,
&end
#
# 86 ILE HG1+ 86 ILE MG2 5.00 (# 2897:20 Unique 2.39, 3.52 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1301,1302,
igr2=1297,1298,1299,
&end
#
# 73 ILE HB 73 ILE MG2 2.70 (# 2899:20 Preassigned 2.43, 2.67 A)
&rst
ixpk= 2899, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1081,1082,1083,
&end
#
# 73 ILE HG1- 73 ILE MG2 3.50 (# 2900:20 Unique 2.29, 3.16 A)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,
igr2=1081,1082,1083,
&end
#
# 31 VAL MG1 33 LEU HN 5.00 (# 0:10 Preassigned 4.27, 5.68 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 460, 461, 462,
&end
#
# 74 ILE HN 33 LEU HN 5.00 (# 2:10 Preassigned 4.20, 4.47 A)
&rst
ixpk= 2, nxpk= 10, iat=1094, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HN 33 LEU HN 5.00 (# 3:10 Preassigned 4.40, 4.49 A)
&rst
ixpk= 3, nxpk= 10, iat= 470, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HA 33 LEU HN 2.70 (# 4:10 Unique 2.18, 2.21 A)
&rst
ixpk= 4, nxpk= 10, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 73 ILE HA 33 LEU HN 5.00 (# 5:10 Preassigned 3.44, 3.58 A)
&rst
ixpk= 5, nxpk= 10, iat=1077, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LEU HA 33 LEU HN 3.50 (# 6:10 Unique 2.83, 2.88 A)
&rst
ixpk= 6, nxpk= 10, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LEU HG 33 LEU HN 3.50 (# 7:10 Preassigned 2.62, 2.91 A)
&rst
ixpk= 7, nxpk= 10, iat= 491, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LEU HB3 33 LEU HN 3.50 (# 8:10 Unique 3.55, 3.60 A)
&rst
ixpk= 8, nxpk= 10, iat= 489, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR MG2 33 LEU HN 3.50 (# 9:10 Unique 2.89, 3.63 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 476, 477, 478,
&end
#
# 33 LEU MDX 33 LEU HN 5.00 (# 10:10 Unique 2.27, 4.38 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 LEU MDY 33 LEU HN 5.00 (# 11:10 Preassigned 2.27, 4.38 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 50 ASP HB- 50 ASP HN 5.00 (# 19:10 Unique 2.36, 3.41 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 737,
&end
#
# 84 GLU HB- 50 ASP HN 5.00 (# 20:10 Unique 2.90, 4.38 A)
&rst
ixpk= 20, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1259,1260,
&end
#
# 51 GLY HN 50 ASP HN 3.50 (# 23:10 Preassigned 3.04, 3.41 A)
&rst
ixpk= 23, nxpk= 10, iat= 744, 732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 GLU HN 50 ASP HN 5.00 (# 24:10 Unique 2.59, 3.17 A)
&rst
ixpk= 24, nxpk= 10, iat=1255, 732, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 ASP HA 50 ASP HN 3.50 (# 26:10 Unique 2.21, 2.38 A)
&rst
ixpk= 26, nxpk= 10, iat= 734, 732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 50 ASP HN 3.50 (# 27:10 Unique 2.11, 2.31 A)
&rst
ixpk= 27, nxpk= 10, iat= 712, 732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASP HB+ 50 ASP HN 3.50 (# 28:10 Unique 2.36, 3.41 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 736, 737,
&end
#
# 84 GLU HB+ 50 ASP HN 5.00 (# 29:10 Preassigned 2.90, 4.38 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1259,1260,
&end
#
# 0 AMB 10-2:30 50 ASP HN 3.50 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1249,1250,1251,1301,1302,
&end
#
# 86 ILE MD1 50 ASP HN 6.00 (# 31:10 Preassigned 2.65, 5.78 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1304,1305,1306,
&end
#
# 85 TYR QD 85 TYR HN 5.00 (# 38:10 Preassigned 3.13, 3.76 A)
&rst
ixpk= 38, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1278,1287,
&end
#
# 85 TYR QE 85 TYR HN 6.00 (# 39:10 Preassigned 5.28, 5.69 A)
&rst
ixpk= 39, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1280,1285,
&end
#
# 85 TYR HA 85 TYR HN 3.50 (# 40:10 Unique 2.89, 2.91 A)
&rst
ixpk= 40, nxpk= 10, iat=1272,1270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:41 85 TYR HN 3.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1506,1293,
&end
#
# 84 GLU HA 85 TYR HN 3.50 (# 42:10 Unique 2.20, 2.29 A)
&rst
ixpk= 42, nxpk= 10, iat=1257,1270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 TYR HB+ 85 TYR HN 3.50 (# 43:10 Unique 2.37, 3.04 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1274,1275,
&end
#
# 85 TYR HB- 85 TYR HN 3.50 (# 44:10 Unique 2.37, 3.04 A)
&rst
ixpk= 44, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1274,1275,
&end
#
# 0 AMB 10-2:45 85 TYR HN 3.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1489,1262,1263,
&end
#
# 0 AMB 10-2:46 85 TYR HN 5.00 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1477,1478,1479,1491,1492,1493,
&end
#
# 0 AMB 10-2:48 89 ALA HN 5.00 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 180, 181,1353,1354, 183, 184,
&end
#
# 0 AMB 10-2:49 89 ALA HN 5.00 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1436,1437, 645, 652, 653, 654,
&end
#
# 0 AMB 10-2:50 89 ALA HN 5.00 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1330,1331, 539, 540, 541, 664, 665, 666,
&end
#
# 89 ALA MB 89 ALA HN 3.50 (# 51:10 Unique 2.63, 3.30 A)
&rst
ixpk= 51, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 96 GLN HN 89 ALA HN 5.00 (# 56:10 Unique 2.94, 3.01 A)
&rst
ixpk= 56, nxpk= 10, iat=1432,1339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ASP HA 89 ALA HN 5.00 (# 58:10 Unique 3.03, 3.28 A)
&rst
ixpk= 58, nxpk= 10, iat=1451,1339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ALA HA 89 ALA HN 5.00 (# 59:10 Unique 2.90, 2.96 A)
&rst
ixpk= 59, nxpk= 10, iat=1341,1339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ILE HA 89 ALA HN 2.70 (# 60:10 Unique 2.19, 2.26 A)
&rst
ixpk= 60, nxpk= 10, iat=1322,1339, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 VAL MGX 89 ALA HN 3.50 (# 62:10 Unique 2.46, 4.46 A)
&rst
ixpk= 62, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 14 VAL MGY 89 ALA HN 2.70 (# 63:10 Preassigned 2.46, 4.46 A)
&rst
ixpk= 63, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 52 GLU HN 51 GLY HN 3.50 (# 77:10 Unique 2.13, 2.41 A)
&rst
ixpk= 77, nxpk= 10, iat= 751, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 51 GLY HN 6.00 (# 79:10 Unique 4.24, 4.75 A)
&rst
ixpk= 79, nxpk= 10, iat= 698, 744, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLY HA+ 51 GLY HN 3.50 (# 81:10 Unique 2.30, 2.74 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 746, 747,
&end
#
# 50 ASP HB- 51 GLY HN 5.00 (# 82:10 Unique 2.48, 3.85 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 737,
&end
#
# 86 ILE MD1 51 GLY HN 6.00 (# 84:10 Preassigned 3.51, 6.21 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1304,1305,1306,
&end
#
# 50 ASP HN 51 GLY HN 3.50 (# 85:10 Unique 3.04, 3.41 A)
&rst
ixpk= 85, nxpk= 10, iat= 732, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HN 51 GLY HN 5.00 (# 86:10 Preassigned 3.70, 3.87 A)
&rst
ixpk= 86, nxpk= 10, iat= 710, 744, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 ASP HA 51 GLY HN 3.50 (# 87:10 Unique 2.61, 3.11 A)
&rst
ixpk= 87, nxpk= 10, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HB 51 GLY HN 3.50 (# 88:10 Preassigned 2.56, 3.37 A)
&rst
ixpk= 88, nxpk= 10, iat= 700, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HG+ 47 TRP HE1 5.00 (# 89:10 Unique 3.30, 4.48 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 649,
&end
#
# 47 TRP HZ2 47 TRP HE1 3.50 (# 90:10 Preassigned 2.85, 2.89 A)
&rst
ixpk= 90, nxpk= 10, iat= 685, 682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HD1 47 TRP HE1 3.50 (# 103:10 Preassigned 2.45, 2.49 A)
&rst
ixpk= 103, nxpk= 10, iat= 680, 682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET ME 47 TRP HE1 5.00 (# 105:10 Preassigned 2.12, 3.45 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 652, 653, 654,
&end
#
# 70 SER HA 47 TRP HE1 5.00 (# 107:10 Preassigned 4.27, 4.79 A)
&rst
ixpk= 107, nxpk= 10, iat=1032, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HA 78 ASP HN 3.50 (# 126:10 Unique 2.81, 2.87 A)
&rst
ixpk= 126, nxpk= 10, iat=1175,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 LEU HB+ 83 ALA HN 3.50 (# 128:10 Unique 2.38, 3.41 A)
&rst
ixpk= 128, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1525,1526,
&end
#
# 82 GLU HN 83 ALA HN 5.00 (# 129:10 Unique 4.56, 4.62 A)
&rst
ixpk= 129, nxpk= 10, iat=1230,1245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ALA HA 83 ALA HN 3.50 (# 130:10 Unique 2.90, 2.93 A)
&rst
ixpk= 130, nxpk= 10, iat=1247,1245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLU HA 83 ALA HN 2.70 (# 132:10 Unique 2.19, 2.23 A)
&rst
ixpk= 132, nxpk= 10, iat=1232,1245, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 82 GLU HG+ 83 ALA HN 3.50 (# 133:10 Unique 2.69, 3.20 A)
&rst
ixpk= 133, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 82 GLU HB+ 83 ALA HN 5.00 (# 134:10 Unique 4.20, 4.32 A)
&rst
ixpk= 134, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1234,1235,
&end
#
# 82 GLU HG- 83 ALA HN 3.50 (# 135:10 Unique 2.69, 3.20 A)
&rst
ixpk= 135, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 102 LEU HB- 83 ALA HN 5.00 (# 136:10 Unique 2.38, 3.41 A)
&rst
ixpk= 136, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1525,1526,
&end
#
# 83 ALA MB 83 ALA HN 3.50 (# 137:10 Unique 2.86, 3.42 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1249,1250,1251,
&end
#
# 0 AMB 10-2:138 83 ALA HN 3.50 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,1568,1569,1570,1572,1573,1574,
&end
#
# 77 VAL HA 78 ASP HN 2.70 (# 143:10 Unique 2.08, 2.20 A)
&rst
ixpk= 143, nxpk= 10, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 77 VAL MG2 78 ASP HN 5.00 (# 144:10 Unique 4.06, 4.90 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1167,1168,1169,
&end
#
# 0 AMB 10-2:145 78 ASP HN 6.00 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1218,1157,
&end
#
# 0 AMB 10-2:146 78 ASP HN 5.00 (# 146:10 Single Ambig)
&rst
ixpk= 146, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 374, 417,
&end
#
# 81 ASP HB+ 78 ASP HN 5.00 (# 147:10 Unique 2.33, 3.30 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1222,1223,
&end
#
# 78 ASP HB- 78 ASP HN 3.50 (# 148:10 Unique 3.00, 3.45 A)
&rst
ixpk= 148, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1177,1178,
&end
#
# 104 VAL MGX 78 ASP HN 5.00 (# 149:10 Unique 3.65, 4.93 A)
&rst
ixpk= 149, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 10-2:150 103 LYS HN 5.00 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 334, 348,
&end
#
# 22 ASN HA 103 LYS HN 3.50 (# 151:10 Unique 2.55, 2.91 A)
&rst
ixpk= 151, nxpk= 10, iat= 336,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR HA 103 LYS HN 5.00 (# 152:10 Unique 4.76, 4.98 A)
&rst
ixpk= 152, nxpk= 10, iat= 305,1540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LEU HA 103 LYS HN 2.70 (# 153:10 Unique 2.18, 2.24 A)
&rst
ixpk= 153, nxpk= 10, iat=1523,1540, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 103 LYS HA 103 LYS HN 3.50 (# 154:10 Unique 2.94, 2.98 A)
&rst
ixpk= 154, nxpk= 10, iat=1542,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:155 103 LYS HN 5.00 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 322,1234,1235,
&end
#
# 103 LYS HB- 103 LYS HN 3.50 (# 156:10 Unique 2.40, 3.20 A)
&rst
ixpk= 156, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1544,1545,
&end
#
# 0 AMB 10-2:157 103 LYS HN 3.50 (# 157:10 Single Ambig)
&rst
ixpk= 157, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1547,1548, 309, 310, 311,
&end
#
# 103 LYS HG- 103 LYS HN 3.50 (# 158:10 Unique 2.12, 2.97 A)
&rst
ixpk= 158, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1547,1548,
&end
#
# 0 AMB 10-2:159 103 LYS HN 3.50 (# 159:10 Single Ambig)
&rst
ixpk= 159, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
&end
#
# 104 VAL HN 103 LYS HN 5.00 (# 160:10 Unique 3.69, 4.07 A)
&rst
ixpk= 160, nxpk= 10, iat=1562,1540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 LYS HA 83 ALA HN 5.00 (# 161:10 Unique 3.69, 3.94 A)
&rst
ixpk= 161, nxpk= 10, iat=1542,1245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLU HB- 83 ALA HN 5.00 (# 162:10 Unique 4.20, 4.32 A)
&rst
ixpk= 162, nxpk= 10, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1234,1235,
&end
#
# 105 PHE HN 25 ALA HN 5.00 (# 206:10 Unique 2.88, 3.47 A)
&rst
ixpk= 206, nxpk= 10, iat=1578, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR HA 25 ALA HN 2.70 (# 207:10 Unique 2.20, 2.30 A)
&rst
ixpk= 207, nxpk= 10, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 104 VAL HA 25 ALA HN 5.00 (# 209:10 Preassigned 3.72, 4.71 A)
&rst
ixpk= 209, nxpk= 10, iat=1564, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:210 25 ALA HN 2.70 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 376, 377, 378,1615,1616,
&end
#
# 0 AMB 10-2:211 25 ALA HN 6.00 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 362,1187,
&end
#
# 79 LYS HG- 25 ALA HN 5.00 (# 212:10 Preassigned 5.00, 5.99 A)
&rst
ixpk= 212, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1192,1193,
&end
#
# 104 VAL MGY 25 ALA HN 5.00 (# 213:10 Unique 2.17, 4.76 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 36 ASP HN 37 ALA HN 5.00 (# 218:10 Preassigned 3.51, 4.22 A)
&rst
ixpk= 218, nxpk= 10, iat= 523, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 ALA HA 37 ALA HN 3.50 (# 219:10 Unique 2.91, 2.95 A)
&rst
ixpk= 219, nxpk= 10, iat= 537, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ASP HA 37 ALA HN 2.70 (# 220:10 Unique 2.14, 2.25 A)
&rst
ixpk= 220, nxpk= 10, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 36 ASP HB2 37 ALA HN 5.00 (# 221:10 Preassigned 3.07, 3.81 A)
&rst
ixpk= 221, nxpk= 10, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 ALA MB 37 ALA HN 3.50 (# 223:10 Unique 2.38, 2.97 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 539, 540, 541,
&end
#
# 24 THR HB 25 ALA HN 5.00 (# 224:10 Preassigned 3.86, 4.15 A)
&rst
ixpk= 224, nxpk= 10, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 25 ALA HN 3.50 (# 225:10 Unique 2.30, 2.78 A)
&rst
ixpk= 225, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:226 25 ALA HN 3.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 365, 366, 352, 353, 354,
&end
#
# 104 VAL MGX 25 ALA HN 3.50 (# 227:10 Unique 2.17, 4.76 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 24 THR HN 25 ALA HN 5.00 (# 228:10 Unique 3.56, 4.44 A)
&rst
ixpk= 228, nxpk= 10, iat= 358, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 ASP HB3 37 ALA HN 5.00 (# 236:10 Preassigned 4.14, 4.46 A)
&rst
ixpk= 236, nxpk= 10, iat= 528, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET ME 37 ALA HN 5.00 (# 237:10 Unique 2.62, 4.55 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 652, 653, 654,
&end
#
# 15 ARG HB+ 16 ALA HN 5.00 (# 241:10 Preassigned 2.36, 3.40 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 221, 222,
&end
#
# 15 ARG HB- 16 ALA HN 5.00 (# 242:10 Preassigned 2.36, 3.40 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 221, 222,
&end
#
# 15 ARG HG- 16 ALA HN 3.50 (# 243:10 Preassigned 3.70, 4.14 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 224, 225,
&end
#
# 98 ALA MB 16 ALA HN 2.70 (# 245:10 Preassigned 2.68, 3.26 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1465,1466,1467,
&end
#
# 16 ALA MB 16 ALA HN 2.70 (# 246:10 Preassigned 2.44, 2.93 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 245, 246, 247,
&end
#
# 15 ARG HN 16 ALA HN 6.00 (# 248:10 Preassigned 4.27, 4.39 A)
&rst
ixpk= 248, nxpk= 10, iat= 217, 241, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:256 73 ILE HN 3.50 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 945,1056,1094,
&end
#
# 73 ILE HA 73 ILE HN 3.50 (# 257:10 Unique 2.96, 2.98 A)
&rst
ixpk= 257, nxpk= 10, iat=1077,1075, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU HA 73 ILE HN 2.70 (# 258:10 Unique 2.13, 2.16 A)
&rst
ixpk= 258, nxpk= 10, iat=1058,1075, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 73 ILE HB 73 ILE HN 2.70 (# 259:10 Unique 2.50, 2.64 A)
&rst
ixpk= 259, nxpk= 10, iat=1079,1075, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 73 ILE MD1 73 ILE HN 3.50 (# 260:10 Unique 2.16, 3.27 A)
&rst
ixpk= 260, nxpk= 10, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1088,1089,1090,
&end
#
# 73 ILE MG2 73 ILE HN 5.00 (# 261:10 Unique 4.37, 4.63 A)
&rst
ixpk= 261, nxpk= 10, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1081,1082,1083,
&end
#
# 72 LEU MDY 73 ILE HN 3.50 (# 262:10 Unique 2.99, 4.89 A)
&rst
ixpk= 262, nxpk= 10, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 65 PHE HA 73 ILE HN 5.00 (# 269:10 Unique 3.14, 3.38 A)
&rst
ixpk= 269, nxpk= 10, iat= 958,1075, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 HIS HA 102 LEU HN 2.70 (# 272:10 Unique 2.15, 2.19 A)
&rst
ixpk= 272, nxpk= 10, iat=1506,1521, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 84 GLU HA 102 LEU HN 5.00 (# 273:10 Unique 2.91, 3.22 A)
&rst
ixpk= 273, nxpk= 10, iat=1257,1521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 HIS QB 102 LEU HN 3.50 (# 274:10 Unique 3.55, 4.08 A)
&rst
ixpk= 274, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1508,1509,
&end
#
# 102 LEU HB+ 102 LEU HN 3.50 (# 275:10 Unique 2.32, 2.70 A)
&rst
ixpk= 275, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1525,1526,
&end
#
# 0 AMB 10-2:276 102 LEU HN 5.00 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1528, 309, 310, 311,1498,1499,1500,
&end
#
# 102 LEU HB- 102 LEU HN 3.50 (# 277:10 Unique 2.32, 2.70 A)
&rst
ixpk= 277, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1525,1526,
&end
#
# 0 AMB 10-2:278 102 LEU HN 3.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
&end
#
# 100 ILE HG1+ 100 ILE HN 5.00 (# 285:10 Unique 2.22, 2.93 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 85 TYR HN 100 ILE HN 5.00 (# 286:10 Unique 3.24, 3.37 A)
&rst
ixpk= 286, nxpk= 10, iat=1270,1485, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 CYS HN 100 ILE HN 6.00 (# 287:10 Unique 4.09, 4.39 A)
&rst
ixpk= 287, nxpk= 10, iat=1310,1485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 THR HN 100 ILE HN 6.00 (# 288:10 Unique 4.27, 4.32 A)
&rst
ixpk= 288, nxpk= 10, iat=1471,1485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 ILE HA 100 ILE HN 5.00 (# 289:10 Preassigned 3.63, 3.66 A)
&rst
ixpk= 289, nxpk= 10, iat=1293,1485, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 THR HA 100 ILE HN 2.70 (# 290:10 Unique 2.16, 2.21 A)
&rst
ixpk= 290, nxpk= 10, iat=1473,1485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 100 ILE HA 100 ILE HN 5.00 (# 292:10 Unique 2.98, 3.00 A)
&rst
ixpk= 292, nxpk= 10, iat=1487,1485, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HB 100 ILE HN 3.50 (# 293:10 Unique 2.56, 2.93 A)
&rst
ixpk= 293, nxpk= 10, iat=1489,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE HG1- 100 ILE HN 5.00 (# 294:10 Unique 2.22, 2.93 A)
&rst
ixpk= 294, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 0 AMB 10-2:295 100 ILE HN 5.00 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 245, 246, 247,1498,1499,1500,
&end
#
# 0 AMB 10-2:296 100 ILE HN 5.00 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1301,1302,1249,1250,1251,
&end
#
# 0 AMB 10-2:297 100 ILE HN 3.50 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1477,1478,1479,1491,1492,1493,
&end
#
# 105 PHE QD 105 PHE HN 5.00 (# 298:10 Preassigned 2.39, 3.41 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1586,1594,
&end
#
# 104 VAL HN 105 PHE HN 5.00 (# 299:10 Unique 4.26, 4.57 A)
&rst
ixpk= 299, nxpk= 10, iat=1562,1578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HN 105 PHE HN 3.50 (# 301:10 Preassigned 2.88, 3.47 A)
&rst
ixpk= 301, nxpk= 10, iat= 372,1578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 THR HA 105 PHE HN 3.50 (# 302:10 Preassigned 2.95, 3.26 A)
&rst
ixpk= 302, nxpk= 10, iat= 360,1578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 PHE HB2 105 PHE HN 3.50 (# 304:10 Preassigned 3.58, 3.62 A)
&rst
ixpk= 304, nxpk= 10, iat=1582,1578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 PHE HB3 105 PHE HN 3.50 (# 305:10 Preassigned 2.78, 2.91 A)
&rst
ixpk= 305, nxpk= 10, iat=1583,1578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:307 105 PHE HN 6.00 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 352, 353, 354, 364, 365, 366,
&end
#
# 104 VAL MGY 105 PHE HN 3.50 (# 308:10 Unique 2.67, 4.39 A)
&rst
ixpk= 308, nxpk= 10, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL MGX 105 PHE HN 3.50 (# 309:10 Unique 2.67, 4.39 A)
&rst
ixpk= 309, nxpk= 10, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 59 ASN HN 55 GLU HN 5.00 (# 310:10 Preassigned 4.00, 4.30 A)
&rst
ixpk= 310, nxpk= 10, iat= 858, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 55 GLU HN 3.50 (# 311:10 Unique 2.81, 2.86 A)
&rst
ixpk= 311, nxpk= 10, iat= 801, 799, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 THR HB 55 GLU HN 5.00 (# 312:10 Unique 4.84, 5.04 A)
&rst
ixpk= 312, nxpk= 10, iat= 662, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ILE HA 55 GLU HN 2.70 (# 313:10 Unique 2.56, 2.64 A)
&rst
ixpk= 313, nxpk= 10, iat= 782, 799, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 55 GLU QG 55 GLU HN 3.50 (# 314:10 Unique 1.91, 2.45 A)
&rst
ixpk= 314, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 806, 807,
&end
#
# 0 AMB 10-2:315 55 GLU HN 3.50 (# 315:10 Single Ambig)
&rst
ixpk= 315, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 803, 821, 822, 835, 836,
&end
#
# 0 AMB 10-2:316 55 GLU HN 2.70 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 804, 770, 771,
&end
#
# 0 AMB 10-2:317 55 GLU HN 5.00 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 790, 791, 702, 703, 704,
&end
#
# 54 ILE MG2 55 GLU HN 5.00 (# 318:10 Unique 4.58, 5.17 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 786, 787, 788,
&end
#
# 72 LEU HA 72 LEU HN 5.00 (# 328:10 Unique 2.95, 2.96 A)
&rst
ixpk= 328, nxpk= 10, iat=1058,1056, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 GLU HN 72 LEU HN 5.00 (# 329:10 Unique 4.47, 4.58 A)
&rst
ixpk= 329, nxpk= 10, iat=1041,1056, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ILE HB 55 GLU HN 5.00 (# 331:10 Unique 4.20, 4.38 A)
&rst
ixpk= 331, nxpk= 10, iat= 784, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HA 74 ILE HN 3.50 (# 338:10 Preassigned 3.00, 3.46 A)
&rst
ixpk= 338, nxpk= 10, iat= 472,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:340 74 ILE HN 3.50 (# 340:10 Single Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1098, 491,
&end
#
# 74 ILE HG1+ 74 ILE HN 3.50 (# 342:10 Unique 2.45, 3.25 A)
&rst
ixpk= 342, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:343 74 ILE HN 5.00 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1167,1168,1169, 460, 461, 462, 464, 465, 466,
&end
#
# 74 ILE HG1- 74 ILE HN 3.50 (# 344:10 Unique 2.45, 3.25 A)
&rst
ixpk= 344, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1104,1105,
&end
#
# 73 ILE MG2 74 ILE HN 5.00 (# 345:10 Preassigned 3.12, 3.81 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1081,1082,1083,
&end
#
# 33 LEU HN 74 ILE HN 5.00 (# 346:10 Unique 4.20, 4.47 A)
&rst
ixpk= 346, nxpk= 10, iat= 484,1094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ALA HA 72 LEU HN 5.00 (# 347:10 Unique 2.84, 3.02 A)
&rst
ixpk= 347, nxpk= 10, iat= 505,1056, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 GLU HA 72 LEU HN 3.50 (# 348:10 Unique 2.07, 2.18 A)
&rst
ixpk= 348, nxpk= 10, iat=1043,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU QB 72 LEU HN 5.00 (# 349:10 Unique 2.89, 3.61 A)
&rst
ixpk= 349, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1045,1046,
&end
#
# 0 AMB 10-2:350 72 LEU HN 5.00 (# 350:10 Single Ambig)
&rst
ixpk= 350, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 507, 508, 509,1498,1499,1500,
&end
#
# 32 THR MG2 72 LEU HN 5.00 (# 351:10 Unique 3.55, 4.46 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 476, 477, 478,
&end
#
# 0 AMB 10-2:352 72 LEU HN 3.50 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1060,1061, 493, 494, 495, 497, 498, 499,
&end
#
# 72 LEU HB- 72 LEU HN 3.50 (# 353:10 Unique 2.49, 2.85 A)
&rst
ixpk= 353, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1060,1061,
&end
#
# 107 LYS HN 106 ALA HN 5.00 (# 358:10 Unique 3.49, 3.53 A)
&rst
ixpk= 358, nxpk= 10, iat=1608,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 PHE HA 106 ALA HN 3.50 (# 360:10 Unique 2.15, 2.19 A)
&rst
ixpk= 360, nxpk= 10, iat=1580,1598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ALA HA 106 ALA HN 5.00 (# 361:10 Unique 2.85, 2.89 A)
&rst
ixpk= 361, nxpk= 10, iat=1600,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:362 106 ALA HN 3.50 (# 362:10 Single Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1602,1603,1604,1615,1616,
&end
#
# 0 AMB 10-2:365 74 ILE HN 5.00 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1107,1108,1109, 493, 494, 495, 497, 498, 499,
&end
#
# 8 VAL HN 7 ILE HN 5.00 (# 366:10 Unique 3.60, 4.26 A)
&rst
ixpk= 366, nxpk= 10, iat= 116, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:368 7 ILE HN 2.70 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 83, 99,
&end
#
# 6 VAL HB 7 ILE HN 5.00 (# 369:10 Unique 1.92, 3.87 A)
&rst
ixpk= 369, nxpk= 10, iat= 85, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE HB 7 ILE HN 2.70 (# 370:10 Unique 2.42, 2.60 A)
&rst
ixpk= 370, nxpk= 10, iat= 101, 97, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 7 ILE HG1+ 7 ILE HN 3.50 (# 371:10 Unique 1.97, 3.17 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 107, 108,
&end
#
# 7 ILE HG1- 7 ILE HN 3.50 (# 372:10 Unique 1.97, 3.17 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 107, 108,
&end
#
# 0 AMB 10-2:373 7 ILE HN 3.50 (# 373:10 Single Ambig)
&rst
ixpk= 373, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 87, 88, 89, 51, 52, 53, 126, 127, 128,
&end
#
# 7 ILE MG2 7 ILE HN 5.00 (# 374:10 Unique 4.38, 4.61 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 103, 104, 105,
&end
#
# 34 ALA HN 17 ARG HN 5.00 (# 407:10 Preassigned 3.72, 4.67 A)
&rst
ixpk= 407, nxpk= 10, iat= 503, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ARG HB+ 17 ARG HN 3.50 (# 409:10 Unique 2.05, 2.87 A)
&rst
ixpk= 409, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 98 ALA MB 17 ARG HN 5.00 (# 410:10 Preassigned 5.60, 6.71 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1465,1466,1467,
&end
#
# 35 CYS HA 17 ARG HN 3.50 (# 411:10 Unique 2.07, 2.39 A)
&rst
ixpk= 411, nxpk= 10, iat= 515, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG HA 17 ARG HN 3.50 (# 412:10 Unique 2.54, 2.77 A)
&rst
ixpk= 412, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ARG HB- 17 ARG HN 3.50 (# 413:10 Unique 2.05, 2.87 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 100 ILE HG1+ 17 ARG HN 5.00 (# 414:10 Unique 3.63, 5.10 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 17 ARG QG 17 ARG HN 5.00 (# 415:10 Unique 2.09, 3.44 A)
&rst
ixpk= 415, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 259,
&end
#
# 20 THR HA 101 HIS HN 3.50 (# 417:10 Preassigned 2.34, 2.60 A)
&rst
ixpk= 417, nxpk= 10, iat= 305,1504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 SER HA 101 HIS HN 5.00 (# 420:10 Unique 3.61, 3.86 A)
&rst
ixpk= 420, nxpk= 10, iat= 294,1504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 HIS QB 101 HIS HN 2.70 (# 421:10 Unique 2.43, 3.09 A)
&rst
ixpk= 421, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1508,1509,
&end
#
# 100 ILE HG1- 101 HIS HN 5.00 (# 422:10 Unique 4.47, 5.17 A)
&rst
ixpk= 422, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 100 ILE MG2 101 HIS HN 3.50 (# 423:10 Unique 2.25, 3.45 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1491,1492,1493,
&end
#
# 100 ILE HA 101 HIS HN 2.70 (# 430:10 Unique 2.20, 2.26 A)
&rst
ixpk= 430, nxpk= 10, iat=1487,1504, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:431 101 HIS HN 5.00 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 309, 310, 311, 245, 246, 247,1547,1548,1498,1499,
1500,
&end
#
# 0 AMB 10-2:432 75 LYS HN 5.00 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 906, 907,1142,1143,1142,1143,
&end
#
# 0 AMB 10-2:433 75 LYS HN 3.50 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1123,1124,1098,
&end
#
# 0 AMB 10-2:434 75 LYS HN 5.00 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 906, 907,1104,1105,
&end
#
# 9 ASN HN 8 VAL HN 5.00 (# 440:10 Preassigned 1.82, 2.13 A)
&rst
ixpk= 440, nxpk= 10, iat= 132, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE HN 8 VAL HN 5.00 (# 441:10 Preassigned 3.60, 4.26 A)
&rst
ixpk= 441, nxpk= 10, iat= 97, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE HA 8 VAL HN 2.70 (# 444:10 Preassigned 2.13, 2.19 A)
&rst
ixpk= 444, nxpk= 10, iat= 99, 116, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:446 8 VAL HN 6.00 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108, 55, 56,
&end
#
# 0 AMB 10-2:447 8 VAL HN 5.00 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 107, 108, 152, 153, 154,
&end
#
# 10 VAL MG2 8 VAL HN 6.00 (# 448:10 Unique 3.99, 5.29 A)
&rst
ixpk= 448, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 156, 157, 158,
&end
#
# 8 VAL MG2 8 VAL HN 5.00 (# 449:10 Preassigned 2.44, 3.78 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 126, 127, 128,
&end
#
# 7 ILE MG2 8 VAL HN 3.50 (# 450:10 Unique 2.78, 3.95 A)
&rst
ixpk= 450, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 103, 104, 105,
&end
#
# 75 LYS HG+ 75 LYS HN 3.50 (# 456:10 Unique 2.13, 2.92 A)
&rst
ixpk= 456, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1120,1121,
&end
#
# 63 TYR HA 75 LYS HN 5.00 (# 458:10 Unique 2.63, 2.92 A)
&rst
ixpk= 458, nxpk= 10, iat= 926,1113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:459 75 LYS HN 2.70 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1096,1115,
&end
#
# 0 AMB 10-2:460 75 LYS HN 3.50 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1117,1118,1139,1140,
&end
#
# 74 ILE MG2 75 LYS HN 3.50 (# 461:10 Unique 2.13, 3.09 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1100,1101,1102,
&end
#
# 8 VAL MG1 10 VAL HN 6.00 (# 467:10 Unique 3.46, 5.88 A)
&rst
ixpk= 467, nxpk= 10, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 122, 123, 124,
&end
#
# 0 AMB 10-2:473 5 GLN HN 5.00 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 81, 45,
&end
#
# 4 ILE HA 5 GLN HN 3.50 (# 475:10 Unique 2.43, 3.25 A)
&rst
ixpk= 475, nxpk= 10, iat= 47, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:476 5 GLN HN 3.50 (# 476:10 Single Ambig)
&rst
ixpk= 476, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 68, 69, 85,
&end
#
# 40 PHE HN 10 VAL HN 3.50 (# 480:10 Preassigned 2.62, 3.04 A)
&rst
ixpk= 480, nxpk= 10, iat= 564, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASN HA 10 VAL HN 2.70 (# 481:10 Unique 2.14, 2.28 A)
&rst
ixpk= 481, nxpk= 10, iat= 134, 146, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 10 VAL HB 10 VAL HN 3.50 (# 482:10 Unique 2.35, 2.48 A)
&rst
ixpk= 482, nxpk= 10, iat= 150, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL HA 10 VAL HN 5.00 (# 483:10 Unique 2.88, 2.95 A)
&rst
ixpk= 483, nxpk= 10, iat= 148, 146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 PHE QB 10 VAL HN 3.50 (# 484:10 Unique 2.49, 3.57 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 568, 569,
&end
#
# 9 ASN QB 10 VAL HN 5.00 (# 486:10 Unique 2.64, 4.15 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 136, 137,
&end
#
# 10 VAL MG1 10 VAL HN 5.00 (# 487:10 Unique 4.35, 4.58 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 152, 153, 154,
&end
#
# 10 VAL MG2 10 VAL HN 3.50 (# 488:10 Unique 2.12, 3.34 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 156, 157, 158,
&end
#
# 5 GLN HA 5 GLN HN 5.00 (# 489:10 Unique 2.83, 2.91 A)
&rst
ixpk= 489, nxpk= 10, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLN HB+ 5 GLN HN 5.00 (# 490:10 Unique 2.44, 3.09 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 68, 69,
&end
#
# 98 ALA MB 15 ARG HN 5.00 (# 497:10 Unique 4.23, 5.17 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1465,1466,1467,
&end
#
# 106 ALA HN 107 LYS HN 3.50 (# 499:10 Unique 3.49, 3.53 A)
&rst
ixpk= 499, nxpk= 10, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ALA HA 107 LYS HN 2.70 (# 502:10 Unique 2.56, 2.65 A)
&rst
ixpk= 502, nxpk= 10, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:503 107 LYS HN 3.50 (# 503:10 Single Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1612,1613,1612,1613,
&end
#
# 0 AMB 10-2:504 107 LYS HN 2.70 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1615,1616, 376, 377, 378,
&end
#
# 24 THR MG2 107 LYS HN 3.50 (# 505:10 Unique 2.96, 4.03 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 364, 365, 366,
&end
#
# 16 ALA HN 15 ARG HN 5.00 (# 513:10 Unique 4.27, 4.39 A)
&rst
ixpk= 513, nxpk= 10, iat= 241, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 VAL HN 15 ARG HN 5.00 (# 514:10 Unique 3.95, 4.37 A)
&rst
ixpk= 514, nxpk= 10, iat= 201, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 ASP HN 15 ARG HN 3.50 (# 515:10 Preassigned 2.55, 3.31 A)
&rst
ixpk= 515, nxpk= 10, iat= 523, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HA 15 ARG HN 3.50 (# 516:10 Preassigned 3.61, 3.98 A)
&rst
ixpk= 516, nxpk= 10, iat= 537, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 VAL HA 15 ARG HN 2.70 (# 518:10 Unique 2.12, 2.19 A)
&rst
ixpk= 518, nxpk= 10, iat= 203, 217, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 36 ASP HA 15 ARG HN 5.00 (# 519:10 Preassigned 4.77, 4.90 A)
&rst
ixpk= 519, nxpk= 10, iat= 525, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 ARG HA 15 ARG HN 3.50 (# 520:10 Unique 2.90, 2.96 A)
&rst
ixpk= 520, nxpk= 10, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ARG HB+ 15 ARG HN 3.50 (# 522:10 Unique 2.40, 3.20 A)
&rst
ixpk= 522, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 221, 222,
&end
#
# 0 AMB 10-2:523 15 ARG HN 3.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 224, 225, 221, 222,
&end
#
# 15 ARG HG- 15 ARG HN 3.50 (# 524:10 Unique 2.10, 3.79 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 224, 225,
&end
#
# 37 ALA MB 15 ARG HN 6.00 (# 525:10 Preassigned 4.62, 5.96 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 539, 540, 541,
&end
#
# 14 VAL MGX 15 ARG HN 3.50 (# 526:10 Unique 2.70, 4.61 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 14 VAL MGY 15 ARG HN 3.50 (# 527:10 Unique 2.70, 4.61 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 10-2:529 107 LYS HN 5.00 (# 529:10 Single Ambig)
&rst
ixpk= 529, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1580,1564,
&end
#
# 107 LYS HA 107 LYS HN 3.50 (# 530:10 Unique 2.24, 2.32 A)
&rst
ixpk= 530, nxpk= 10, iat=1610,1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 PHE HB2 107 LYS HN 3.50 (# 531:10 Preassigned 3.51, 3.79 A)
&rst
ixpk= 531, nxpk= 10, iat=1582,1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 PHE HB3 107 LYS HN 5.00 (# 532:10 Preassigned 4.99, 5.07 A)
&rst
ixpk= 532, nxpk= 10, iat=1583,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 THR HN 88 ILE HN 3.50 (# 538:10 Unique 2.98, 3.08 A)
&rst
ixpk= 538, nxpk= 10, iat= 658,1320, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 CYS HA 88 ILE HN 3.50 (# 539:10 Unique 2.01, 2.10 A)
&rst
ixpk= 539, nxpk= 10, iat=1312,1320, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET ME 88 ILE HN 5.00 (# 541:10 Unique 3.11, 4.53 A)
&rst
ixpk= 541, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 652, 653, 654,
&end
#
# 0 AMB 10-2:542 88 ILE HN 3.50 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1333,1334,1335, 207, 208, 209, 211, 212, 213,1326,
1327,1328,
&end
#
# 87 CYS HB3 88 ILE HN 5.00 (# 543:10 Unique 3.87, 4.10 A)
&rst
ixpk= 543, nxpk= 10, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 SER HN 82 GLU HN 6.00 (# 547:10 Preassigned 4.21, 4.29 A)
&rst
ixpk= 547, nxpk= 10, iat=1207,1230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 ASP HN 82 GLU HN 3.50 (# 548:10 Unique 2.44, 2.56 A)
&rst
ixpk= 548, nxpk= 10, iat=1218,1230, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASP HA 82 GLU HN 5.00 (# 549:10 Unique 3.39, 3.44 A)
&rst
ixpk= 549, nxpk= 10, iat=1220,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLU HA 82 GLU HN 5.00 (# 550:10 Preassigned 2.80, 2.83 A)
&rst
ixpk= 550, nxpk= 10, iat=1232,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:551 82 GLU HN 6.00 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1237,1238,1177,1178,
&end
#
# 82 GLU HB+ 82 GLU HN 3.50 (# 552:10 Unique 2.29, 2.49 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1234,1235,
&end
#
# 82 GLU HG- 82 GLU HN 5.00 (# 553:10 Unique 4.31, 4.45 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1237,1238,
&end
#
# 82 GLU HB- 82 GLU HN 3.50 (# 554:10 Unique 2.29, 2.49 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1234,1235,
&end
#
# 0 AMB 10-2:558 82 GLU HN 5.00 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1566,1195,1196,
&end
#
# 104 VAL MGY 82 GLU HN 3.50 (# 559:10 Unique 2.55, 4.62 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 47 TRP HA 88 ILE HN 5.00 (# 562:10 Unique 2.95, 3.11 A)
&rst
ixpk= 562, nxpk= 10, iat= 674,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ILE HA 88 ILE HN 3.50 (# 564:10 Unique 2.95, 2.98 A)
&rst
ixpk= 564, nxpk= 10, iat=1322,1320, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:565 88 ILE HN 3.50 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1314,1453,1454,
&end
#
# 0 AMB 10-2:566 88 ILE HN 3.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1330,1331, 664, 665, 666,
&end
#
# 0 AMB 10-2:567 88 ILE HN 3.50 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1330,1331, 207, 208, 209, 211, 212, 213,
&end
#
# 22 ASN HN 21 MET HN 5.00 (# 569:10 Unique 4.28, 4.36 A)
&rst
ixpk= 569, nxpk= 10, iat= 334, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 THR HN 21 MET HN 5.00 (# 570:10 Unique 3.66, 4.13 A)
&rst
ixpk= 570, nxpk= 10, iat= 303, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 THR HA 21 MET HN 2.70 (# 572:10 Unique 2.09, 2.19 A)
&rst
ixpk= 572, nxpk= 10, iat= 305, 317, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 102 LEU HA 21 MET HN 3.50 (# 573:10 Unique 2.76, 2.94 A)
&rst
ixpk= 573, nxpk= 10, iat=1523, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 MET HA 21 MET HN 3.50 (# 574:10 Unique 2.91, 2.95 A)
&rst
ixpk= 574, nxpk= 10, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:575 21 MET HN 5.00 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 307, 296, 297,
&end
#
# 21 MET QG 21 MET HN 3.50 (# 576:10 Unique 3.14, 4.01 A)
&rst
ixpk= 576, nxpk= 10, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 324, 325,
&end
#
# 21 MET HB3 21 MET HN 5.00 (# 577:10 Unique 3.58, 3.72 A)
&rst
ixpk= 577, nxpk= 10, iat= 322, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 MET HB2 21 MET HN 3.50 (# 578:10 Unique 2.31, 2.61 A)
&rst
ixpk= 578, nxpk= 10, iat= 321, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR MG2 21 MET HN 3.50 (# 579:10 Preassigned 2.63, 3.67 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 309, 310, 311,
&end
#
# 100 ILE MG2 21 MET HN 5.00 (# 580:10 Unique 2.94, 4.42 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1491,1492,1493,
&end
#
# 0 AMB 10-2:581 21 MET HN 5.00 (# 581:10 Single Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1530,1531,1532,1534,1535,1536,1530,1531,1532,1534,
1535,1536,
&end
#
# 55 GLU HN 54 ILE HN 6.00 (# 582:10 Unique 3.11, 3.33 A)
&rst
ixpk= 582, nxpk= 10, iat= 799, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 THR HA 54 ILE HN 3.50 (# 584:10 Unique 2.08, 2.40 A)
&rst
ixpk= 584, nxpk= 10, iat= 698, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 PRO HA 54 ILE HN 3.50 (# 586:10 Unique 2.07, 2.14 A)
&rst
ixpk= 586, nxpk= 10, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:587 54 ILE HN 3.50 (# 587:10 Single Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 773, 774, 758, 759,
&end
#
# 54 ILE HB 54 ILE HN 3.50 (# 588:10 Preassigned 2.46, 2.60 A)
&rst
ixpk= 588, nxpk= 10, iat= 784, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ILE HG1+ 54 ILE HN 3.50 (# 589:10 Unique 2.02, 2.85 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 790, 791,
&end
#
# 0 AMB 10-2:590 54 ILE HN 3.50 (# 590:10 Single Ambig)
&rst
ixpk= 590, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 790, 791, 702, 703, 704,
&end
#
# 54 ILE MG2 54 ILE HN 5.00 (# 591:10 Unique 4.38, 4.56 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 786, 787, 788,
&end
#
# 79 LYS HA 82 GLU HN 5.00 (# 594:10 Unique 3.09, 3.53 A)
&rst
ixpk= 594, nxpk= 10, iat=1187,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PRO HD+ 42 GLU HN 5.00 (# 600:10 Unique 4.01, 4.72 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 614, 615,
&end
#
# 54 ILE HA 54 ILE HN 3.50 (# 608:10 Unique 2.90, 2.94 A)
&rst
ixpk= 608, nxpk= 10, iat= 782, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 PRO HB- 54 ILE HN 3.50 (# 609:10 Preassigned 3.68, 4.03 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 773, 774,
&end
#
# 54 ILE MD1 54 ILE HN 3.50 (# 611:10 Unique 3.22, 4.12 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 793, 794, 795,
&end
#
# 43 PRO HD+ 42 GLU HN 5.00 (# 621:10 Preassigned 4.01, 4.72 A)
&rst
ixpk= 621, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 614, 615,
&end
#
# 40 PHE HA 42 GLU HN 3.50 (# 622:10 Unique 3.20, 3.39 A)
&rst
ixpk= 622, nxpk= 10, iat= 566, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HA 42 GLU HN 3.50 (# 623:10 Unique 2.55, 2.65 A)
&rst
ixpk= 623, nxpk= 10, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 PRO HA 42 GLU HN 2.70 (# 624:10 Preassigned 2.25, 2.33 A)
&rst
ixpk= 624, nxpk= 10, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 40 PHE QB 42 GLU HN 5.00 (# 625:10 Preassigned 5.11, 5.74 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 568, 569,
&end
#
# 42 GLU QB 42 GLU HN 2.70 (# 626:10 Unique 2.37, 3.07 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 602, 603,
&end
#
# 41 PRO HB- 42 GLU HN 3.50 (# 627:10 Unique 2.59, 3.05 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 591, 592,
&end
#
# 41 PRO HB+ 42 GLU HN 3.50 (# 628:10 Unique 2.59, 3.05 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 591, 592,
&end
#
# 89 ALA HN 96 GLN HN 3.50 (# 629:10 Unique 2.94, 3.01 A)
&rst
ixpk= 629, nxpk= 10, iat=1339,1432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:630 96 GLN HN 5.00 (# 630:10 Single Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1449, 190,
&end
#
# 97 ASP HA 96 GLN HN 5.00 (# 631:10 Unique 4.60, 4.79 A)
&rst
ixpk= 631, nxpk= 10, iat=1451,1432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 GLU HA 96 GLN HN 2.70 (# 632:10 Unique 2.15, 2.21 A)
&rst
ixpk= 632, nxpk= 10, iat=1419,1432, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:634 96 GLN HN 3.50 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1351,1341,
&end
#
# 96 GLN HA 96 GLN HN 3.50 (# 635:10 Unique 2.91, 2.97 A)
&rst
ixpk= 635, nxpk= 10, iat=1434,1432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:636 96 GLN HN 3.50 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1424,1425,1356,1357,
&end
#
# 0 AMB 10-2:637 96 GLN HN 3.50 (# 637:10 Single Ambig)
&rst
ixpk= 637, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 180, 181, 183, 184,
&end
#
# 96 GLN HB- 96 GLN HN 3.50 (# 638:10 Unique 2.48, 3.23 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1436,1437,
&end
#
# 0 AMB 10-2:639 96 GLN HN 5.00 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 180, 181, 183, 184,
&end
#
# 89 ALA MB 96 GLN HN 3.50 (# 640:10 Unique 3.34, 4.48 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 0 AMB 10-2:641 96 GLN HN 3.50 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 207, 208, 209, 211, 212, 213,1326,1327,1328,
&end
#
# 65 PHE QD 65 PHE HN 5.00 (# 650:10 Preassigned 2.36, 3.75 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 964, 972,
&end
#
# 65 PHE HA 65 PHE HN 3.50 (# 651:10 Unique 2.87, 2.90 A)
&rst
ixpk= 651, nxpk= 10, iat= 958, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 SER HA 65 PHE HN 2.70 (# 652:10 Unique 2.47, 2.57 A)
&rst
ixpk= 652, nxpk= 10, iat= 947, 956, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 64 SER HB+ 65 PHE HN 5.00 (# 654:10 Preassigned 2.43, 3.06 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 949, 950,
&end
#
# 64 SER HB- 65 PHE HN 5.00 (# 655:10 Preassigned 2.43, 3.06 A)
&rst
ixpk= 655, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 949, 950,
&end
#
# 65 PHE HB2 65 PHE HN 3.50 (# 656:10 Preassigned 3.89, 3.96 A)
&rst
ixpk= 656, nxpk= 10, iat= 960, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 PHE HB3 65 PHE HN 2.70 (# 657:10 Preassigned 3.25, 3.37 A)
&rst
ixpk= 657, nxpk= 10, iat= 961, 956, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 44 THR HN 45 MET HN 5.00 (# 658:10 Unique 4.04, 4.13 A)
&rst
ixpk= 658, nxpk= 10, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET HA 45 MET HN 5.00 (# 659:10 Unique 2.97, 2.99 A)
&rst
ixpk= 659, nxpk= 10, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 THR HA 45 MET HN 2.70 (# 661:10 Preassigned 2.17, 2.25 A)
&rst
ixpk= 661, nxpk= 10, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 44 THR HB 45 MET HN 5.00 (# 662:10 Preassigned 4.27, 4.42 A)
&rst
ixpk= 662, nxpk= 10, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET HG+ 45 MET HN 5.00 (# 663:10 Unique 2.28, 3.02 A)
&rst
ixpk= 663, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 649,
&end
#
# 45 MET HB3 45 MET HN 3.50 (# 664:10 Preassigned 2.59, 2.88 A)
&rst
ixpk= 664, nxpk= 10, iat= 646, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 THR MG2 45 MET HN 3.50 (# 665:10 Preassigned 3.44, 4.19 A)
&rst
ixpk= 665, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 633, 634, 635,
&end
#
# 45 MET HG- 45 MET HN 5.00 (# 675:10 Unique 2.28, 3.02 A)
&rst
ixpk= 675, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 649,
&end
#
# 0 AMB 10-2:676 45 MET HN 5.00 (# 676:10 Single Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 645, 617, 618,
&end
#
# 87 CYS HA 87 CYS HN 5.00 (# 680:10 Unique 2.96, 2.97 A)
&rst
ixpk= 680, nxpk= 10, iat=1312,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:681 87 CYS HN 5.00 (# 681:10 Single Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1465,1466,1467,1301,1302,
&end
#
# 86 ILE HG1- 87 CYS HN 5.00 (# 682:10 Unique 4.54, 4.88 A)
&rst
ixpk= 682, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1301,1302,
&end
#
# 98 ALA HN 87 CYS HN 3.50 (# 683:10 Unique 2.80, 2.99 A)
&rst
ixpk= 683, nxpk= 10, iat=1461,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ASP HA 87 CYS HN 5.00 (# 684:10 Unique 4.60, 4.80 A)
&rst
ixpk= 684, nxpk= 10, iat=1451,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 ILE HA 87 CYS HN 2.70 (# 685:10 Unique 2.16, 2.22 A)
&rst
ixpk= 685, nxpk= 10, iat=1293,1310, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 99 THR HA 87 CYS HN 3.50 (# 686:10 Unique 2.50, 2.71 A)
&rst
ixpk= 686, nxpk= 10, iat=1473,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:687 87 CYS HN 5.00 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1314,1453,1454,
&end
#
# 0 AMB 10-2:688 87 CYS HN 5.00 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1330,1331, 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 10-2:689 87 CYS HN 2.70 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1297,1298,1299,1333,1334,1335,
&end
#
# 87 CYS HB3 87 CYS HN 3.50 (# 690:10 Unique 2.90, 3.26 A)
&rst
ixpk= 690, nxpk= 10, iat=1315,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 LYS HA 104 VAL HN 2.70 (# 697:10 Unique 2.07, 2.19 A)
&rst
ixpk= 697, nxpk= 10, iat=1542,1562, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 82 GLU HG+ 104 VAL HN 3.50 (# 699:10 Unique 2.11, 3.31 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 82 GLU HB+ 104 VAL HN 5.00 (# 700:10 Unique 2.63, 3.74 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1234,1235,
&end
#
# 82 GLU HB- 104 VAL HN 3.50 (# 701:10 Unique 2.63, 3.74 A)
&rst
ixpk= 701, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1234,1235,
&end
#
# 0 AMB 10-2:702 104 VAL HN 5.00 (# 702:10 Single Ambig)
&rst
ixpk= 702, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1528,1547,1548,
&end
#
# 104 VAL MGY 104 VAL HN 3.50 (# 703:10 Unique 2.16, 3.92 A)
&rst
ixpk= 703, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL MGX 104 VAL HN 5.00 (# 704:10 Unique 2.16, 3.92 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 82 GLU HG- 104 VAL HN 3.50 (# 705:10 Unique 2.11, 3.31 A)
&rst
ixpk= 705, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 104 VAL HB 104 VAL HN 2.70 (# 706:10 Unique 2.44, 2.56 A)
&rst
ixpk= 706, nxpk= 10, iat=1566,1562, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 103 LYS HB- 104 VAL HN 5.00 (# 707:10 Unique 2.86, 4.05 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1544,1545,
&end
#
# 48 THR HN 86 ILE HN 3.50 (# 708:10 Unique 2.94, 3.12 A)
&rst
ixpk= 708, nxpk= 10, iat= 696,1291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 TYR HA 86 ILE HN 2.70 (# 709:10 Unique 2.29, 2.32 A)
&rst
ixpk= 709, nxpk= 10, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 86 ILE HA 86 ILE HN 5.00 (# 710:10 Unique 2.92, 2.95 A)
&rst
ixpk= 710, nxpk= 10, iat=1293,1291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:711 86 ILE HN 5.00 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1274,1275, 736, 737,
&end
#
# 0 AMB 10-2:712 86 ILE HN 5.00 (# 712:10 Single Ambig)
&rst
ixpk= 712, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1304,1305,1306, 793, 794, 795,
&end
#
# 0 AMB 10-2:714 87 CYS HN 5.00 (# 714:10 Single Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1291, 658,
&end
#
# 5 GLN HA 6 VAL HN 2.70 (# 717:10 Unique 2.12, 2.75 A)
&rst
ixpk= 717, nxpk= 10, iat= 66, 81, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:718 6 VAL HN 3.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 83, 99,
&end
#
# 5 GLN HB+ 6 VAL HN 5.00 (# 719:10 Unique 2.56, 4.22 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 68, 69,
&end
#
# 0 AMB 10-2:720 6 VAL HN 3.50 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 68, 69, 85,
&end
#
# 0 AMB 10-2:721 6 VAL HN 3.50 (# 721:10 Single Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 91, 92, 93, 51, 52, 53, 126, 127, 128,
&end
#
# 82 GLU HA 104 VAL HN 5.00 (# 728:10 Unique 2.41, 2.89 A)
&rst
ixpk= 728, nxpk= 10, iat=1232,1562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 VAL HA 104 VAL HN 3.50 (# 730:10 Unique 2.89, 2.92 A)
&rst
ixpk= 730, nxpk= 10, iat=1564,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:731 104 VAL HN 5.00 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1550,1551,1550,1551,1192,1193,
&end
#
# 5 GLN HN 6 VAL HN 5.00 (# 734:10 Unique 1.98, 3.12 A)
&rst
ixpk= 734, nxpk= 10, iat= 64, 81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 PHE HN 23 ALA HN 3.50 (# 752:10 Unique 2.54, 2.77 A)
&rst
ixpk= 752, nxpk= 10, iat=1578, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ASN HA 23 ALA HN 2.70 (# 762:10 Unique 2.28, 2.49 A)
&rst
ixpk= 762, nxpk= 10, iat= 336, 348, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 23 ALA MB 23 ALA HN 3.50 (# 763:10 Preassigned 2.84, 3.56 A)
&rst
ixpk= 763, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 352, 353, 354,
&end
#
# 0 AMB 10-2:764 23 ALA HN 3.50 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1568,1569,1570,1572,1573,1574,1530,1531,1532,1534,
1535,1536,1530,1531,1532,1534,1535,1536,1163,1164,
1165,
&end
#
# 23 ALA HA 23 ALA HN 3.50 (# 765:10 Preassigned 2.78, 2.83 A)
&rst
ixpk= 765, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ASN QB 23 ALA HN 3.50 (# 766:10 Unique 2.23, 3.23 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 338, 339,
&end
#
# 55 GLU HA 56 GLN HN 2.70 (# 767:10 Unique 2.22, 2.36 A)
&rst
ixpk= 767, nxpk= 10, iat= 801, 814, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 56 GLN HG+ 56 GLN HN 5.00 (# 768:10 Unique 1.99, 2.71 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 821, 822,
&end
#
# 56 GLN HB+ 56 GLN HN 3.50 (# 769:10 Unique 2.32, 3.09 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 818, 819,
&end
#
# 56 GLN HB- 56 GLN HN 2.70 (# 770:10 Unique 2.32, 3.09 A)
&rst
ixpk= 770, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 818, 819,
&end
#
# 10 VAL HN 9 ASN HN 5.00 (# 775:10 Unique 3.63, 4.05 A)
&rst
ixpk= 775, nxpk= 10, iat= 146, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 VAL HN 9 ASN HN 5.00 (# 776:10 Unique 1.82, 2.13 A)
&rst
ixpk= 776, nxpk= 10, iat= 116, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ASN HD21 9 ASN HN 3.50 (# 777:10 Unique 3.21, 3.49 A)
&rst
ixpk= 777, nxpk= 10, iat= 141, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASN HD22 9 ASN HN 5.00 (# 778:10 Unique 2.11, 3.11 A)
&rst
ixpk= 778, nxpk= 10, iat= 142, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ASN HA 9 ASN HN 3.50 (# 779:10 Unique 2.37, 2.86 A)
&rst
ixpk= 779, nxpk= 10, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HA 9 ASN HN 3.50 (# 781:10 Preassigned 3.50, 3.53 A)
&rst
ixpk= 781, nxpk= 10, iat= 118, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASN QB 9 ASN HN 3.50 (# 783:10 Preassigned 2.29, 3.13 A)
&rst
ixpk= 783, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 136, 137,
&end
#
# 8 VAL HB 9 ASN HN 5.00 (# 784:10 Unique 1.99, 2.31 A)
&rst
ixpk= 784, nxpk= 10, iat= 120, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 VAL MG2 9 ASN HN 5.00 (# 785:10 Unique 4.20, 5.45 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 156, 157, 158,
&end
#
# 0 AMB 10-2:786 9 ASN HN 3.50 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 122, 123, 124, 126, 127, 128,
&end
#
# 51 GLY HA+ 52 GLU HN 3.50 (# 790:10 Preassigned 2.71, 3.24 A)
&rst
ixpk= 790, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 746, 747,
&end
#
# 52 GLU HA 52 GLU HN 3.50 (# 791:10 Preassigned 2.76, 2.86 A)
&rst
ixpk= 791, nxpk= 10, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLY HA- 52 GLU HN 3.50 (# 792:10 Preassigned 2.71, 3.24 A)
&rst
ixpk= 792, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 746, 747,
&end
#
# 46 THR HA 56 GLN HN 5.00 (# 801:10 Unique 3.04, 3.73 A)
&rst
ixpk= 801, nxpk= 10, iat= 660, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:804 3 ASP HN 5.00 (# 804:10 Single Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 37, 38, 136, 137,
&end
#
# 49 LYS HN 52 GLU HN 3.50 (# 807:10 Preassigned 2.75, 2.87 A)
&rst
ixpk= 807, nxpk= 10, iat= 710, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLY HN 52 GLU HN 3.50 (# 808:10 Preassigned 2.13, 2.41 A)
&rst
ixpk= 808, nxpk= 10, iat= 744, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 52 GLU HN 5.00 (# 810:10 Preassigned 3.19, 3.57 A)
&rst
ixpk= 810, nxpk= 10, iat= 698, 751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 PRO HD- 52 GLU HN 5.00 (# 811:10 Unique 4.19, 4.65 A)
&rst
ixpk= 811, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 767, 768,
&end
#
# 48 THR HB 52 GLU HN 3.50 (# 812:10 Preassigned 2.32, 2.87 A)
&rst
ixpk= 812, nxpk= 10, iat= 700, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLU HG+ 52 GLU HN 5.00 (# 813:10 Preassigned 2.49, 3.55 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 758, 759,
&end
#
# 52 GLU HG- 52 GLU HN 3.50 (# 814:10 Unique 2.49, 3.55 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 758, 759,
&end
#
# 52 GLU HB2 52 GLU HN 5.00 (# 815:10 Preassigned 3.85, 4.03 A)
&rst
ixpk= 815, nxpk= 10, iat= 755, 751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLU HB3 52 GLU HN 3.50 (# 816:10 Preassigned 2.88, 3.30 A)
&rst
ixpk= 816, nxpk= 10, iat= 756, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR MG2 52 GLU HN 5.00 (# 818:10 Preassigned 3.92, 4.96 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 702, 703, 704,
&end
#
# 30 SER HN 29 GLN HN 5.00 (# 828:10 Preassigned 4.39, 4.53 A)
&rst
ixpk= 828, nxpk= 10, iat= 443, 426, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLN QG 29 GLN HN 5.00 (# 829:10 Preassigned 2.70, 3.82 A)
&rst
ixpk= 829, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 433, 434,
&end
#
# 29 GLN HB- 29 GLN HN 3.50 (# 830:10 Preassigned 2.06, 3.14 A)
&rst
ixpk= 830, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 431,
&end
#
# 59 ASN HN 57 GLU HN 5.00 (# 831:10 Unique 3.99, 4.08 A)
&rst
ixpk= 831, nxpk= 10, iat= 858, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 GLU HA 57 GLU HN 3.50 (# 832:10 Unique 2.75, 2.83 A)
&rst
ixpk= 832, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 GLN HA 57 GLU HN 3.50 (# 833:10 Unique 3.45, 3.52 A)
&rst
ixpk= 833, nxpk= 10, iat= 816, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:835 57 GLU HN 2.70 (# 835:10 Single Ambig)
&rst
ixpk= 835, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 838, 839, 821, 822,
&end
#
# 56 GLN HB- 57 GLU HN 3.50 (# 836:10 Unique 2.36, 3.31 A)
&rst
ixpk= 836, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 818, 819,
&end
#
# 0 AMB 10-2:837 57 GLU HN 2.70 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 803, 835, 836, 821, 822,
&end
#
# 0 AMB 10-2:847 49 LYS HN 5.00 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 720, 721, 784,
&end
#
# 52 GLU HN 49 LYS HN 3.50 (# 848:10 Unique 2.75, 2.87 A)
&rst
ixpk= 848, nxpk= 10, iat= 751, 710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 49 LYS HN 3.50 (# 849:10 Unique 2.08, 2.16 A)
&rst
ixpk= 849, nxpk= 10, iat= 698, 710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 49 LYS HN 3.50 (# 851:10 Unique 2.92, 2.96 A)
&rst
ixpk= 851, nxpk= 10, iat= 712, 710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HB 49 LYS HN 5.00 (# 852:10 Unique 3.18, 3.34 A)
&rst
ixpk= 852, nxpk= 10, iat= 700, 710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 LYS HB+ 49 LYS HN 3.50 (# 853:10 Unique 2.07, 2.58 A)
&rst
ixpk= 853, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 714, 715,
&end
#
# 49 LYS HB- 49 LYS HN 3.50 (# 854:10 Unique 2.07, 2.58 A)
&rst
ixpk= 854, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 714, 715,
&end
#
# 48 THR MG2 49 LYS HN 5.00 (# 855:10 Preassigned 4.27, 5.03 A)
&rst
ixpk= 855, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 702, 703, 704,
&end
#
# 54 ILE MD1 49 LYS HN 3.50 (# 856:10 Unique 2.56, 3.59 A)
&rst
ixpk= 856, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 793, 794, 795,
&end
#
# 28 SER HN 29 GLN HN 3.50 (# 859:10 Unique 2.11, 2.97 A)
&rst
ixpk= 859, nxpk= 10, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLN HA 29 GLN HN 5.00 (# 861:10 Preassigned 2.29, 2.84 A)
&rst
ixpk= 861, nxpk= 10, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HA 29 GLN HN 3.50 (# 862:10 Unique 2.19, 2.67 A)
&rst
ixpk= 862, nxpk= 10, iat= 417, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 SER HN 14 VAL HN 5.00 (# 873:10 Unique 3.44, 3.63 A)
&rst
ixpk= 873, nxpk= 10, iat= 190, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE MD1 34 ALA HN 5.00 (# 877:10 Preassigned 2.72, 3.86 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1498,1499,1500,
&end
#
# 33 LEU HA 34 ALA HN 2.70 (# 879:10 Unique 2.24, 2.56 A)
&rst
ixpk= 879, nxpk= 10, iat= 486, 503, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:880 34 ALA HN 3.50 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 488, 491,
&end
#
# 5 GLN HN 4 ILE HN 5.00 (# 883:10 Unique 2.24, 3.48 A)
&rst
ixpk= 883, nxpk= 10, iat= 64, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 SER HN 14 VAL HN 5.00 (# 896:10 Preassigned 3.44, 3.63 A)
&rst
ixpk= 896, nxpk= 10, iat= 190, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 VAL HA 14 VAL HN 3.50 (# 897:10 Unique 2.78, 2.85 A)
&rst
ixpk= 897, nxpk= 10, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 SER HA 14 VAL HN 2.70 (# 898:10 Unique 2.22, 2.49 A)
&rst
ixpk= 898, nxpk= 10, iat= 192, 201, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 13 SER QB 14 VAL HN 5.00 (# 899:10 Unique 4.04, 4.43 A)
&rst
ixpk= 899, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 194, 195,
&end
#
# 96 GLN HB- 14 VAL HN 3.50 (# 900:10 Preassigned 2.85, 3.29 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1436,1437,
&end
#
# 14 VAL HB 14 VAL HN 3.50 (# 901:10 Unique 2.42, 2.58 A)
&rst
ixpk= 901, nxpk= 10, iat= 205, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA MB 14 VAL HN 5.00 (# 902:10 Unique 4.42, 5.28 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 539, 540, 541,
&end
#
# 14 VAL MGX 14 VAL HN 3.50 (# 903:10 Unique 2.00, 3.78 A)
&rst
ixpk= 903, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 14 VAL MGY 14 VAL HN 2.70 (# 904:10 Unique 2.00, 3.78 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 33 LEU HN 34 ALA HN 5.00 (# 906:10 Unique 4.31, 4.40 A)
&rst
ixpk= 906, nxpk= 10, iat= 484, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LEU MDX 34 ALA HN 5.00 (# 907:10 Unique 3.84, 5.26 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 34 ALA HA 34 ALA HN 3.50 (# 908:10 Unique 2.91, 2.95 A)
&rst
ixpk= 908, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HA 4 ILE HN 3.50 (# 911:10 Unique 2.19, 2.61 A)
&rst
ixpk= 911, nxpk= 10, iat= 35, 45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:912 4 ILE HN 5.00 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 47, 118,
&end
#
# 0 AMB 10-2:913 4 ILE HN 3.50 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 49, 15, 16,
&end
#
# 4 ILE HG1- 4 ILE HN 5.00 (# 914:10 Unique 2.94, 3.62 A)
&rst
ixpk= 914, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 55, 56,
&end
#
# 0 AMB 10-2:915 4 ILE HN 5.00 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 58, 59, 60, 126, 127, 128, 91, 92, 93, 122,
123, 124,
&end
#
# 90 GLU HN 91 ASN HN 5.00 (# 920:10 Unique 4.26, 4.35 A)
&rst
ixpk= 920, nxpk= 10, iat=1349,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HN 91 ASN HN 3.50 (# 922:10 Unique 2.85, 2.91 A)
&rst
ixpk= 922, nxpk= 10, iat=1410,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 GLU HA 91 ASN HN 3.50 (# 923:10 Unique 3.48, 3.53 A)
&rst
ixpk= 923, nxpk= 10, iat=1419,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 GLU HA 91 ASN HN 2.70 (# 924:10 Unique 2.15, 2.22 A)
&rst
ixpk= 924, nxpk= 10, iat=1351,1364, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 91 ASN HA 91 ASN HN 3.50 (# 925:10 Unique 2.83, 2.85 A)
&rst
ixpk= 925, nxpk= 10, iat=1366,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:926 91 ASN HN 3.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1356,1357,1424,1425,
&end
#
# 0 AMB 10-2:927 91 ASN HN 5.00 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1421,1422,1421,1422,
&end
#
# 0 AMB 10-2:934 91 ASN HN 3.50 (# 934:10 Single Ambig)
&rst
ixpk= 934, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 180, 181, 183, 184,
&end
#
# 89 ALA HN 90 GLU HN 5.00 (# 935:10 Preassigned 4.30, 4.36 A)
&rst
ixpk= 935, nxpk= 10, iat=1339,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET HA 90 GLU HN 3.50 (# 936:10 Unique 2.84, 3.17 A)
&rst
ixpk= 936, nxpk= 10, iat= 643,1349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:937 90 GLU HN 2.70 (# 937:10 Single Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1341,1351,
&end
#
# 0 AMB 10-2:938 90 GLU HN 2.70 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1353,1354, 180, 181, 183, 184,
&end
#
# 43 PRO QB 90 GLU HN 5.00 (# 939:10 Preassigned 2.96, 4.20 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 620, 621,
&end
#
# 89 ALA MB 90 GLU HN 3.50 (# 940:10 Unique 2.86, 3.76 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 33 LEU HN 32 THR HN 5.00 (# 943:10 Unique 4.40, 4.49 A)
&rst
ixpk= 943, nxpk= 10, iat= 484, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 VAL HN 32 THR HN 5.00 (# 944:10 Preassigned 4.25, 4.33 A)
&rst
ixpk= 944, nxpk= 10, iat= 454, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 VAL HA 32 THR HN 2.70 (# 947:10 Preassigned 2.11, 2.17 A)
&rst
ixpk= 947, nxpk= 10, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 32 THR HB 32 THR HN 2.70 (# 949:10 Unique 2.44, 2.52 A)
&rst
ixpk= 949, nxpk= 10, iat= 474, 470, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 21 MET ME 32 THR HN 5.00 (# 950:10 Unique 4.50, 5.56 A)
&rst
ixpk= 950, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 328, 329, 330,
&end
#
# 32 THR MG2 32 THR HN 5.00 (# 951:10 Unique 4.38, 4.59 A)
&rst
ixpk= 951, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 476, 477, 478,
&end
#
# 31 VAL HB 32 THR HN 5.00 (# 953:10 Unique 3.82, 4.16 A)
&rst
ixpk= 953, nxpk= 10, iat= 458, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 VAL MG1 32 THR HN 3.50 (# 954:10 Unique 2.49, 3.54 A)
&rst
ixpk= 954, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 460, 461, 462,
&end
#
# 96 GLN HN 97 ASP HN 5.00 (# 955:10 Preassigned 4.35, 4.42 A)
&rst
ixpk= 955, nxpk= 10, iat=1432,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 GLN HE21 97 ASP HN 6.00 (# 956:10 Preassigned 5.40, 6.55 A)
&rst
ixpk= 956, nxpk= 10, iat=1444,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 ASP HA 97 ASP HN 3.50 (# 957:10 Preassigned 2.87, 2.88 A)
&rst
ixpk= 957, nxpk= 10, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLN HA 97 ASP HN 2.70 (# 959:10 Unique 2.44, 2.50 A)
&rst
ixpk= 959, nxpk= 10, iat=1434,1449, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 96 GLN HG+ 97 ASP HN 3.50 (# 961:10 Preassigned 3.73, 4.09 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1439,1440,
&end
#
# 97 ASP HB+ 97 ASP HN 3.50 (# 962:10 Preassigned 3.36, 3.71 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1453,1454,
&end
#
# 97 ASP HB- 97 ASP HN 5.00 (# 963:10 Unique 3.36, 3.71 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1453,1454,
&end
#
# 96 GLN HB+ 97 ASP HN 3.50 (# 964:10 Unique 2.09, 2.91 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1436,1437,
&end
#
# 96 GLN HB- 97 ASP HN 3.50 (# 965:10 Unique 2.09, 2.91 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1436,1437,
&end
#
# 0 AMB 10-2:966 97 ASP HN 3.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 207, 208, 209, 211, 212, 213,1326,1327,1328,
&end
#
# 98 ALA HN 97 ASP HN 5.00 (# 967:10 Unique 4.30, 4.36 A)
&rst
ixpk= 967, nxpk= 10, iat=1461,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:970 47 TRP HN 5.00 (# 970:10 Single Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 814, 658, 831,
&end
#
# 47 TRP HD1 47 TRP HN 3.50 (# 971:10 Preassigned 2.60, 2.79 A)
&rst
ixpk= 971, nxpk= 10, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HA 47 TRP HN 3.50 (# 973:10 Unique 2.78, 2.84 A)
&rst
ixpk= 973, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 THR HA 47 TRP HN 2.70 (# 974:10 Preassigned 2.38, 2.48 A)
&rst
ixpk= 974, nxpk= 10, iat= 660, 672, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:975 47 TRP HN 5.00 (# 975:10 Single Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1312, 816,
&end
#
# 46 THR HB 47 TRP HN 3.50 (# 976:10 Preassigned 2.26, 2.90 A)
&rst
ixpk= 976, nxpk= 10, iat= 662, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HB2 47 TRP HN 5.00 (# 977:10 Unique 3.91, 3.95 A)
&rst
ixpk= 977, nxpk= 10, iat= 676, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 TRP HB3 47 TRP HN 5.00 (# 978:10 Unique 3.60, 3.71 A)
&rst
ixpk= 978, nxpk= 10, iat= 677, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 THR MG2 47 TRP HN 3.50 (# 979:10 Preassigned 3.52, 4.30 A)
&rst
ixpk= 979, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 664, 665, 666,
&end
#
# 0 AMB 10-2:980 47 TRP HN 5.00 (# 980:10 Single Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 793, 794, 795,1333,1334,1335,
&end
#
# 59 ASN HA 60 GLU HN 3.50 (# 983:10 Unique 2.12, 2.19 A)
&rst
ixpk= 983, nxpk= 10, iat= 860, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:984 60 GLU HN 3.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 879, 880, 879, 880,
&end
#
# 60 GLU HB- 60 GLU HN 2.70 (# 985:10 Unique 2.61, 3.24 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 876, 877,
&end
#
# 0 AMB 10-2:986 0 AMB 10-1:986 2.70 (# 986:10 Double Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 858, 887,
igr2= 846, 872,
&end
#
# 58 ASP HA 58 ASP HN 3.50 (# 988:10 Unique 2.92, 2.98 A)
&rst
ixpk= 988, nxpk= 10, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 GLN HA 58 ASP HN 5.00 (# 989:10 Unique 3.56, 4.07 A)
&rst
ixpk= 989, nxpk= 10, iat= 816, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:990 58 ASP HN 5.00 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 838, 839, 806, 807,
&end
#
# 58 ASP HB+ 58 ASP HN 3.50 (# 991:10 Unique 2.37, 3.01 A)
&rst
ixpk= 991, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:992 58 ASP HN 3.50 (# 992:10 Single Ambig)
&rst
ixpk= 992, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 835, 836, 803,
&end
#
# 57 GLU HA 58 ASP HN 3.50 (# 993:10 Unique 3.24, 3.45 A)
&rst
ixpk= 993, nxpk= 10, iat= 833, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HB- 58 ASP HN 3.50 (# 994:10 Unique 2.37, 3.01 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:999 0 AMB 10-1:999 5.00 (# 999:10 Double Ambig)
&rst
ixpk= 999, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 535, 513,
igr2= 523, 545,
&end
#
# 15 ARG HN 36 ASP HN 5.00 (# 1000:10 Preassigned 2.55, 3.31 A)
&rst
ixpk= 1000, nxpk= 10, iat= 217, 523, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 CYS HA 36 ASP HN 2.70 (# 1001:10 Preassigned 2.19, 2.28 A)
&rst
ixpk= 1001, nxpk= 10, iat= 515, 523, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 35 CYS HB+ 36 ASP HN 5.00 (# 1002:10 Preassigned 2.39, 4.32 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 517, 518,
&end
#
# 36 ASP HB3 36 ASP HN 3.50 (# 1003:10 Preassigned 2.65, 2.82 A)
&rst
ixpk= 1003, nxpk= 10, iat= 528, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 PRO HG+ 38 ASP HN 6.00 (# 1004:10 Preassigned 4.25, 5.43 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 617, 618,
&end
#
# 87 CYS HN 98 ALA HN 3.50 (# 1005:10 Unique 2.80, 2.99 A)
&rst
ixpk= 1005, nxpk= 10, iat=1310,1461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ASP HN 98 ALA HN 5.00 (# 1006:10 Unique 4.30, 4.36 A)
&rst
ixpk= 1006, nxpk= 10, iat=1449,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ASP HA 98 ALA HN 2.70 (# 1007:10 Unique 2.29, 2.34 A)
&rst
ixpk= 1007, nxpk= 10, iat=1451,1461, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 88 ILE HA 98 ALA HN 5.00 (# 1009:10 Unique 3.72, 3.83 A)
&rst
ixpk= 1009, nxpk= 10, iat=1322,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ASP HB+ 98 ALA HN 3.50 (# 1010:10 Unique 2.40, 3.23 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1453,1454,
&end
#
# 97 ASP HB- 98 ALA HN 3.50 (# 1011:10 Unique 2.40, 3.23 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1453,1454,
&end
#
# 98 ALA MB 98 ALA HN 3.50 (# 1012:10 Unique 2.85, 3.46 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1465,1466,1467,
&end
#
# 0 AMB 10-2:1013 98 ALA HN 5.00 (# 1013:10 Single Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 207, 208, 209, 211, 212, 213,1330,1331,
&end
#
# 0 AMB 10-2:1014 98 ALA HN 2.70 (# 1014:10 Single Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 207, 208, 209, 211, 212, 213,1333,1334,1335,1297,
1298,1299,
&end
#
# 87 CYS HB3 98 ALA HN 5.00 (# 1015:10 Unique 4.77, 4.93 A)
&rst
ixpk= 1015, nxpk= 10, iat=1315,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1017 98 ALA HN 5.00 (# 1017:10 Single Ambig)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1293, 203,
&end
#
# 13 SER HN 38 ASP HN 3.50 (# 1024:10 Preassigned 3.34, 3.50 A)
&rst
ixpk= 1024, nxpk= 10, iat= 190, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HA 38 ASP HN 2.70 (# 1026:10 Unique 2.16, 2.29 A)
&rst
ixpk= 1026, nxpk= 10, iat= 537, 545, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 VAL HA 38 ASP HN 3.50 (# 1027:10 Preassigned 3.29, 3.42 A)
&rst
ixpk= 1027, nxpk= 10, iat= 203, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP QB 38 ASP HN 2.70 (# 1029:10 Preassigned 2.36, 3.05 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 549, 550,
&end
#
# 15 ARG HB- 36 ASP HN 5.00 (# 1030:10 Preassigned 3.89, 4.79 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 221, 222,
&end
#
# 43 PRO HG- 38 ASP HN 6.00 (# 1031:10 Preassigned 4.25, 5.43 A)
&rst
ixpk= 1031, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 617, 618,
&end
#
# 37 ALA MB 38 ASP HN 3.50 (# 1032:10 Preassigned 3.94, 4.33 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 539, 540, 541,
&end
#
# 14 VAL MGX 38 ASP HN 5.00 (# 1033:10 Preassigned 4.73, 6.37 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 39 GLY HN 38 ASP HN 5.00 (# 1034:10 Preassigned 4.27, 4.36 A)
&rst
ixpk= 1034, nxpk= 10, iat= 557, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1035 98 ALA HN 5.00 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1330,1331, 245, 246, 247,
&end
#
# 22 ASN HA 22 ASN HN 5.00 (# 1041:10 Unique 2.82, 2.88 A)
&rst
ixpk= 1041, nxpk= 10, iat= 336, 334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 MET HA 22 ASN HN 2.70 (# 1042:10 Unique 2.24, 2.49 A)
&rst
ixpk= 1042, nxpk= 10, iat= 319, 334, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 21 MET QG 22 ASN HN 5.00 (# 1044:10 Unique 4.28, 4.52 A)
&rst
ixpk= 1044, nxpk= 10, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 324, 325,
&end
#
# 21 MET ME 22 ASN HN 5.00 (# 1045:10 Preassigned 2.29, 3.64 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 328, 329, 330,
&end
#
# 21 MET HB3 22 ASN HN 3.50 (# 1046:10 Unique 2.04, 2.27 A)
&rst
ixpk= 1046, nxpk= 10, iat= 322, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1047 22 ASN HN 5.00 (# 1047:10 Single Ambig)
&rst
ixpk= 1047, nxpk= 10, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 352, 353, 354,1547,1548, 309, 310, 311,1528,
&end
#
# 26 ASN HN 27 LEU HN 3.50 (# 1052:10 Unique 2.80, 3.12 A)
&rst
ixpk= 1052, nxpk= 10, iat= 382, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1054 27 LEU HN 3.50 (# 1054:10 Single Ambig)
&rst
ixpk= 1054, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 374, 417,
&end
#
# 0 AMB 10-2:1055 27 LEU HN 5.00 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
&end
#
# 28 SER HN 27 LEU HN 3.50 (# 1056:10 Unique 2.50, 2.95 A)
&rst
ixpk= 1056, nxpk= 10, iat= 415, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LEU HB+ 27 LEU HN 3.50 (# 1058:10 Preassigned 2.37, 3.21 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 27 LEU HG 27 LEU HN 3.50 (# 1059:10 Preassigned 2.21, 3.16 A)
&rst
ixpk= 1059, nxpk= 10, iat= 403, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LEU HB- 27 LEU HN 3.50 (# 1060:10 Unique 2.37, 3.21 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 91 ASN HN 93 ALA HN 5.00 (# 1061:10 Unique 4.01, 4.13 A)
&rst
ixpk= 1061, nxpk= 10, iat=1364,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 CYS HB- 35 CYS HN 3.50 (# 1069:10 Unique 2.63, 3.18 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 517, 518,
&end
#
# 72 LEU HN 35 CYS HN 5.00 (# 1071:10 Preassigned 4.62, 4.78 A)
&rst
ixpk= 1071, nxpk= 10, iat=1056, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 TRP HZ2 35 CYS HN 3.50 (# 1072:10 Preassigned 2.81, 3.23 A)
&rst
ixpk= 1072, nxpk= 10, iat= 685, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HH2 35 CYS HN 5.00 (# 1073:10 Preassigned 2.88, 3.64 A)
&rst
ixpk= 1073, nxpk= 10, iat= 687, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ALA HA 35 CYS HN 2.70 (# 1074:10 Unique 2.14, 2.18 A)
&rst
ixpk= 1074, nxpk= 10, iat= 505, 513, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 71 GLU HA 35 CYS HN 5.00 (# 1075:10 Preassigned 3.54, 3.88 A)
&rst
ixpk= 1075, nxpk= 10, iat=1043, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 CYS HA 35 CYS HN 3.50 (# 1076:10 Preassigned 2.93, 2.95 A)
&rst
ixpk= 1076, nxpk= 10, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 CYS HB+ 35 CYS HN 3.50 (# 1078:10 Unique 2.63, 3.18 A)
&rst
ixpk= 1078, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 517, 518,
&end
#
# 34 ALA MB 35 CYS HN 2.70 (# 1079:10 Preassigned 2.40, 3.47 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 507, 508, 509,
&end
#
# 80 SER HN 79 LYS HN 5.00 (# 1081:10 Unique 2.74, 2.92 A)
&rst
ixpk= 1081, nxpk= 10, iat=1207,1185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HN 79 LYS HN 5.00 (# 1082:10 Unique 4.23, 4.28 A)
&rst
ixpk= 1082, nxpk= 10, iat=1173,1185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HA 79 LYS HN 3.50 (# 1083:10 Unique 2.52, 2.69 A)
&rst
ixpk= 1083, nxpk= 10, iat=1175,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LYS HA 79 LYS HN 3.50 (# 1084:10 Unique 2.70, 2.78 A)
&rst
ixpk= 1084, nxpk= 10, iat=1187,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ASP HB+ 79 LYS HN 2.70 (# 1085:10 Unique 2.11, 3.17 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1177,1178,
&end
#
# 79 LYS HB+ 79 LYS HN 3.50 (# 1087:10 Unique 2.23, 2.90 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1190,
&end
#
# 0 AMB 10-2:1088 79 LYS HN 3.50 (# 1088:10 Single Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1189,1190,1195,1196,
&end
#
# 0 AMB 10-2:1089 79 LYS HN 3.50 (# 1089:10 Single Ambig)
&rst
ixpk= 1089, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1192,1193,1192,1193,
&end
#
# 25 ALA MB 79 LYS HN 3.50 (# 1090:10 Unique 2.51, 3.79 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 377, 378,
&end
#
# 104 VAL MGY 79 LYS HN 6.00 (# 1091:10 Preassigned 3.50, 5.33 A)
&rst
ixpk= 1091, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 76 LYS HN 31 VAL HN 5.00 (# 1092:10 Unique 4.13, 5.00 A)
&rst
ixpk= 1092, nxpk= 10, iat=1135, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 SER HN 31 VAL HN 5.00 (# 1093:10 Preassigned 3.84, 4.37 A)
&rst
ixpk= 1093, nxpk= 10, iat= 443, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 SER HA 31 VAL HN 2.70 (# 1094:10 Unique 2.19, 2.25 A)
&rst
ixpk= 1094, nxpk= 10, iat= 445, 454, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 31 VAL HA 31 VAL HN 3.50 (# 1096:10 Preassigned 2.93, 2.99 A)
&rst
ixpk= 1096, nxpk= 10, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LYS HA 31 VAL HN 3.50 (# 1097:10 Preassigned 4.06, 4.26 A)
&rst
ixpk= 1097, nxpk= 10, iat=1115, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 SER QB 31 VAL HN 3.50 (# 1098:10 Unique 3.16, 3.78 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 31 VAL HB 31 VAL HN 3.50 (# 1099:10 Unique 2.62, 2.79 A)
&rst
ixpk= 1099, nxpk= 10, iat= 458, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ILE HB 31 VAL HN 3.50 (# 1100:10 Unique 2.31, 2.66 A)
&rst
ixpk= 1100, nxpk= 10, iat=1098, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 VAL MG2 31 VAL HN 3.50 (# 1102:10 Preassigned 2.86, 3.68 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 464, 465, 466,
&end
#
# 73 ILE MG2 31 VAL HN 3.50 (# 1104:10 Unique 3.56, 4.28 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1081,1082,1083,
&end
#
# 80 SER HA 81 ASP HN 3.50 (# 1107:10 Preassigned 3.44, 3.49 A)
&rst
ixpk= 1107, nxpk= 10, iat=1209,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASP HB- 81 ASP HN 3.50 (# 1108:10 Unique 2.45, 2.91 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1222,1223,
&end
#
# 61 GLU HN 62 LYS HN 5.00 (# 1110:10 Unique 3.82, 3.93 A)
&rst
ixpk= 1110, nxpk= 10, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 TYR HN 62 LYS HN 2.70 (# 1111:10 Unique 2.17, 2.59 A)
&rst
ixpk= 1111, nxpk= 10, iat= 924, 902, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 60 GLU HA 62 LYS HN 5.00 (# 1113:10 Unique 4.30, 4.61 A)
&rst
ixpk= 1113, nxpk= 10, iat= 874, 902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HA 62 LYS HN 3.50 (# 1114:10 Unique 2.82, 2.89 A)
&rst
ixpk= 1114, nxpk= 10, iat= 904, 902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS HD- 62 LYS HN 5.00 (# 1115:10 Unique 2.93, 4.60 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 912, 913,
&end
#
# 62 LYS HG+ 62 LYS HN 5.00 (# 1116:10 Unique 2.50, 3.34 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 909, 910,
&end
#
# 61 GLU HA 62 LYS HN 3.50 (# 1118:10 Unique 3.52, 3.53 A)
&rst
ixpk= 1118, nxpk= 10, iat= 889, 902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLU QB 62 LYS HN 5.00 (# 1119:10 Unique 2.19, 2.52 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 891, 892,
&end
#
# 92 LYS HN 93 ALA HN 3.50 (# 1121:10 Unique 2.91, 3.00 A)
&rst
ixpk= 1121, nxpk= 10, iat=1378,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1123 93 ALA HN 5.00 (# 1123:10 Single Ambig)
&rst
ixpk= 1123, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1412,1413, 559, 560,
&end
#
# 41 PRO HD- 93 ALA HN 5.00 (# 1124:10 Unique 4.12, 5.09 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 585, 586,
&end
#
# 92 LYS HB- 93 ALA HN 3.50 (# 1125:10 Preassigned 3.65, 4.29 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1382,1383,
&end
#
# 92 LYS HB+ 93 ALA HN 5.00 (# 1126:10 Preassigned 3.65, 4.29 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1382,1383,
&end
#
# 92 LYS QG 93 ALA HN 3.50 (# 1127:10 Unique 2.55, 3.80 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1386,
&end
#
# 93 ALA MB 93 ALA HN 2.70 (# 1128:10 Preassigned 2.44, 2.97 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1404,1405,1406,
&end
#
# 9 ASN QB 93 ALA HN 5.00 (# 1131:10 Unique 3.83, 5.10 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 136, 137,
&end
#
# 10 VAL HN 40 PHE HN 3.50 (# 1139:10 Preassigned 2.62, 3.04 A)
&rst
ixpk= 1139, nxpk= 10, iat= 146, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASN HD21 40 PHE HN 3.50 (# 1140:10 Preassigned 2.11, 2.28 A)
&rst
ixpk= 1140, nxpk= 10, iat=1373, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLY HN 40 PHE HN 5.00 (# 1141:10 Unique 4.30, 4.34 A)
&rst
ixpk= 1141, nxpk= 10, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 ASN HD22 40 PHE HN 3.50 (# 1142:10 Preassigned 2.83, 3.03 A)
&rst
ixpk= 1142, nxpk= 10, iat=1374, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 PHE HA 40 PHE HN 3.50 (# 1143:10 Unique 2.91, 2.95 A)
&rst
ixpk= 1143, nxpk= 10, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLY HA+ 40 PHE HN 3.50 (# 1144:10 Preassigned 2.29, 2.61 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559, 560,
&end
#
# 39 GLY HA- 40 PHE HN 3.50 (# 1146:10 Preassigned 2.29, 2.61 A)
&rst
ixpk= 1146, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559, 560,
&end
#
# 40 PHE QB 40 PHE HN 3.50 (# 1147:10 Preassigned 2.78, 3.24 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 568, 569,
&end
#
# 9 ASN HA 40 PHE HN 5.00 (# 1148:10 Preassigned 4.64, 4.80 A)
&rst
ixpk= 1148, nxpk= 10, iat= 134, 564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HN 81 ASP HN 3.50 (# 1150:10 Unique 2.88, 3.12 A)
&rst
ixpk= 1150, nxpk= 10, iat=1173,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 SER HN 81 ASP HN 3.50 (# 1151:10 Preassigned 2.69, 2.73 A)
&rst
ixpk= 1151, nxpk= 10, iat=1207,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLU HN 81 ASP HN 3.50 (# 1153:10 Unique 2.44, 2.56 A)
&rst
ixpk= 1153, nxpk= 10, iat=1230,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1154 81 ASP HN 5.00 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1220,1175,
&end
#
# 79 LYS HA 81 ASP HN 5.00 (# 1155:10 Unique 3.51, 3.78 A)
&rst
ixpk= 1155, nxpk= 10, iat=1187,1218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1156 81 ASP HN 5.00 (# 1156:10 Single Ambig)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 723, 724,1198,1199,
&end
#
# 81 ASP HB+ 81 ASP HN 3.50 (# 1157:10 Unique 2.45, 2.91 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1222,1223,
&end
#
# 0 AMB 10-2:1158 81 ASP HN 3.50 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1568,1569,1570,1572,1573,1574,1163,1164,1165,1530,
1531,1532,1534,1535,1536,1530,1531,1532,1534,1535,
1536,
&end
#
# 78 ASP HB- 81 ASP HN 6.00 (# 1161:10 Unique 3.59, 4.95 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1177,1178,
&end
#
# 10 VAL HB 40 PHE HN 2.70 (# 1170:10 Preassigned 2.04, 2.21 A)
&rst
ixpk= 1170, nxpk= 10, iat= 150, 564, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 83 ALA HA 84 GLU HN 3.50 (# 1181:10 Preassigned 2.07, 2.22 A)
&rst
ixpk= 1181, nxpk= 10, iat=1247,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 GLU HB+ 84 GLU HN 3.50 (# 1182:10 Unique 2.26, 3.01 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 83 ALA MB 84 GLU HN 2.70 (# 1184:10 Unique 2.21, 3.35 A)
&rst
ixpk= 1184, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1249,1250,1251,
&end
#
# 50 ASP HN 84 GLU HN 3.50 (# 1186:10 Preassigned 2.59, 3.17 A)
&rst
ixpk= 1186, nxpk= 10, iat= 732,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 GLU QG 84 GLU HN 5.00 (# 1187:10 Preassigned 2.90, 4.04 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1262,1263,
&end
#
# 76 LYS HN 77 VAL HN 5.00 (# 1188:10 Unique 2.01, 3.14 A)
&rst
ixpk= 1188, nxpk= 10, iat=1135,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 LYS HA 77 VAL HN 3.50 (# 1189:10 Unique 2.20, 2.58 A)
&rst
ixpk= 1189, nxpk= 10, iat=1137,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1190 77 VAL HN 3.50 (# 1190:10 Single Ambig)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1139,1140,1161,
&end
#
# 74 ILE MG2 77 VAL HN 5.00 (# 1192:10 Unique 2.14, 3.71 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1100,1101,1102,
&end
#
# 28 SER HA 77 VAL HN 5.00 (# 1193:10 Unique 2.53, 3.56 A)
&rst
ixpk= 1193, nxpk= 10, iat= 417,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1204 77 VAL HN 5.00 (# 1204:10 Single Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1139,1140,1145,1146,
&end
#
# 19 SER HB+ 19 SER HN 5.00 (# 1218:10 Unique 2.48, 3.21 A)
&rst
ixpk= 1218, nxpk= 10, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 296, 297,
&end
#
# 18 GLN HA 19 SER HN 3.50 (# 1221:10 Unique 2.18, 2.53 A)
&rst
ixpk= 1221, nxpk= 10, iat= 277, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR HN 19 SER HN 3.50 (# 1233:10 Unique 2.77, 3.12 A)
&rst
ixpk= 1233, nxpk= 10, iat= 303, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ILE HN 46 THR HN 3.50 (# 1254:10 Preassigned 2.98, 3.08 A)
&rst
ixpk= 1254, nxpk= 10, iat=1320, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HA 46 THR HN 2.70 (# 1256:10 Unique 2.23, 2.30 A)
&rst
ixpk= 1256, nxpk= 10, iat= 643, 658, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 89 ALA HA 46 THR HN 5.00 (# 1257:10 Unique 3.37, 3.50 A)
&rst
ixpk= 1257, nxpk= 10, iat=1341, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 THR HA 46 THR HN 5.00 (# 1258:10 Unique 2.79, 2.86 A)
&rst
ixpk= 1258, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 CYS HA 46 THR HN 5.00 (# 1259:10 Unique 4.51, 4.64 A)
&rst
ixpk= 1259, nxpk= 10, iat=1312, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1260 46 THR HN 3.50 (# 1260:10 Single Ambig)
&rst
ixpk= 1260, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 645, 652, 653, 654,
&end
#
# 88 ILE HB 46 THR HN 3.50 (# 1261:10 Unique 3.48, 3.53 A)
&rst
ixpk= 1261, nxpk= 10, iat=1324, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1262 46 THR HN 5.00 (# 1262:10 Single Ambig)
&rst
ixpk= 1262, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1326,1327,1328, 207, 208, 209, 211, 212, 213,1333,
1334,1335,
&end
#
# 46 THR HB 46 THR HN 5.00 (# 1263:10 Unique 3.65, 3.83 A)
&rst
ixpk= 1263, nxpk= 10, iat= 662, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1264 46 THR HN 5.00 (# 1264:10 Single Ambig)
&rst
ixpk= 1264, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 648, 649, 821, 822,
&end
#
# 0 AMB 10-2:1265 46 THR HN 3.50 (# 1265:10 Single Ambig)
&rst
ixpk= 1265, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 664, 665, 666, 539, 540, 541,
&end
#
# 72 LEU HN 71 GLU HN 5.00 (# 1272:10 Preassigned 4.47, 4.58 A)
&rst
ixpk= 1272, nxpk= 10, iat=1056,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ASN HD21 71 GLU HN 3.50 (# 1273:10 Unique 1.79, 2.17 A)
&rst
ixpk= 1273, nxpk= 10, iat= 985,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1274 71 GLU HN 5.00 (# 1274:10 Single Ambig)
&rst
ixpk= 1274, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 960, 261, 262,
&end
#
# 71 GLU QG 71 GLU HN 5.00 (# 1276:10 Unique 2.18, 2.95 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1048,1049,
&end
#
# 71 GLU QB 71 GLU HN 3.50 (# 1277:10 Unique 2.34, 3.10 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 72 LEU HN 71 GLU HN 5.00 (# 1278:10 Preassigned 4.47, 4.58 A)
&rst
ixpk= 1278, nxpk= 10, iat=1056,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ASN HD22 71 GLU HN 3.50 (# 1280:10 Unique 2.31, 3.07 A)
&rst
ixpk= 1280, nxpk= 10, iat= 986,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HA 71 GLU HN 3.50 (# 1281:10 Unique 2.89, 2.92 A)
&rst
ixpk= 1281, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 SER HA 76 LYS HN 5.00 (# 1289:10 Unique 2.43, 4.02 A)
&rst
ixpk= 1289, nxpk= 10, iat= 445,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1290 76 LYS HN 3.50 (# 1290:10 Single Ambig)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1115,1096,
&end
#
# 76 LYS HA 76 LYS HN 3.50 (# 1291:10 Unique 2.34, 2.88 A)
&rst
ixpk= 1291, nxpk= 10, iat=1137,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1292 76 LYS HN 3.50 (# 1292:10 Single Ambig)
&rst
ixpk= 1292, nxpk= 10, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1139,1140,1117,1118,1145,1146, 912, 913,
&end
#
# 62 LYS HB+ 76 LYS HN 5.00 (# 1293:10 Preassigned 3.03, 4.30 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 906, 907,
&end
#
# 0 AMB 10-2:1294 76 LYS HN 5.00 (# 1294:10 Single Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1142,1143,1142,1143, 906, 907,
&end
#
# 75 LYS HG+ 76 LYS HN 6.00 (# 1295:10 Unique 3.99, 4.62 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1120,1121,
&end
#
# 77 VAL HN 76 LYS HN 5.00 (# 1296:10 Unique 2.01, 3.14 A)
&rst
ixpk= 1296, nxpk= 10, iat=1157,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HA 76 LYS HN 5.00 (# 1297:10 Unique 4.62, 5.09 A)
&rst
ixpk= 1297, nxpk= 10, iat= 417,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLU HN 61 GLU HN 3.50 (# 1298:10 Unique 1.89, 2.00 A)
&rst
ixpk= 1298, nxpk= 10, iat= 872, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS HN 61 GLU HN 5.00 (# 1301:10 Unique 3.82, 3.93 A)
&rst
ixpk= 1301, nxpk= 10, iat= 902, 887, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 TYR HN 61 GLU HN 5.00 (# 1302:10 Unique 4.58, 4.69 A)
&rst
ixpk= 1302, nxpk= 10, iat= 924, 887, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASN HA 61 GLU HN 5.00 (# 1303:10 Preassigned 3.58, 3.74 A)
&rst
ixpk= 1303, nxpk= 10, iat= 860, 887, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLU HA 61 GLU HN 3.50 (# 1305:10 Unique 2.16, 2.37 A)
&rst
ixpk= 1305, nxpk= 10, iat= 889, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLU HG- 61 GLU HN 5.00 (# 1306:10 Unique 4.17, 4.98 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 879, 880,
&end
#
# 60 GLU HB- 61 GLU HN 3.50 (# 1307:10 Unique 2.57, 3.84 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 876, 877,
&end
#
# 61 GLU QB 61 GLU HN 2.70 (# 1308:10 Unique 2.73, 3.32 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 891, 892,
&end
#
# 0 AMB 10-2:1310 61 GLU HN 5.00 (# 1310:10 Single Ambig)
&rst
ixpk= 1310, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 879, 880, 879, 880,
&end
#
# 61 GLU QG 61 GLU HN 3.50 (# 1311:10 Unique 2.10, 3.15 A)
&rst
ixpk= 1311, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 894, 895,
&end
#
# 96 GLN HN 95 GLU HN 5.00 (# 1319:10 Unique 3.84, 4.03 A)
&rst
ixpk= 1319, nxpk= 10, iat=1432,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HN 95 GLU HN 5.00 (# 1320:10 Unique 4.26, 4.32 A)
&rst
ixpk= 1320, nxpk= 10, iat=1410,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 GLN HE21 95 GLU HN 5.00 (# 1321:10 Unique 2.49, 3.35 A)
&rst
ixpk= 1321, nxpk= 10, iat=1444,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 GLU HA 95 GLU HN 5.00 (# 1322:10 Unique 2.86, 2.91 A)
&rst
ixpk= 1322, nxpk= 10, iat=1419,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PRO HA 95 GLU HN 5.00 (# 1323:10 Preassigned 5.03, 5.08 A)
&rst
ixpk= 1323, nxpk= 10, iat= 172,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HA+ 95 GLU HN 2.70 (# 1324:10 Unique 2.26, 2.55 A)
&rst
ixpk= 1324, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1412,1413,
&end
#
# 94 GLY HA- 95 GLU HN 2.70 (# 1325:10 Unique 2.26, 2.55 A)
&rst
ixpk= 1325, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1412,1413,
&end
#
# 0 AMB 10-2:1327 95 GLU HN 3.50 (# 1327:10 Single Ambig)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 169, 170,1424,1425,1356,1357,
&end
#
# 0 AMB 10-2:1328 95 GLU HN 3.50 (# 1328:10 Single Ambig)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 169, 170, 166, 167,
&end
#
# 0 AMB 10-2:1329 95 GLU HN 2.70 (# 1329:10 Single Ambig)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1421,1422,1421,1422,
&end
#
# 0 AMB 10-2:1332 59 ASN HN 3.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 831, 799, 814,
&end
#
# 59 ASN HB+ 59 ASN HN 5.00 (# 1334:10 Unique 2.38, 2.65 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 0 AMB 10-2:1335 59 ASN HN 2.70 (# 1335:10 Single Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 862, 863, 850, 851,
&end
#
# 58 ASP HB- 59 ASN HN 3.50 (# 1337:10 Unique 2.48, 3.31 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 12 PRO HD- 95 GLU HN 5.00 (# 1339:10 Unique 3.17, 4.68 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 177, 178,
&end
#
# 23 ALA HN 24 THR HN 5.00 (# 1353:10 Preassigned 4.19, 4.28 A)
&rst
ixpk= 1353, nxpk= 10, iat= 348, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR HA 24 THR HN 3.50 (# 1354:10 Unique 2.83, 2.91 A)
&rst
ixpk= 1354, nxpk= 10, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA HA 24 THR HN 2.70 (# 1356:10 Unique 2.39, 2.53 A)
&rst
ixpk= 1356, nxpk= 10, iat= 350, 358, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 24 THR HB 24 THR HN 3.50 (# 1359:10 Unique 2.50, 2.61 A)
&rst
ixpk= 1359, nxpk= 10, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1360 24 THR HN 5.00 (# 1360:10 Single Ambig)
&rst
ixpk= 1360, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 400, 401,1615,1616, 376, 377, 378,
&end
#
# 23 ALA MB 24 THR HN 2.70 (# 1361:10 Preassigned 2.34, 3.33 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 352, 353, 354,
&end
#
# 0 AMB 10-2:1363 24 THR HN 5.00 (# 1363:10 Single Ambig)
&rst
ixpk= 1363, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
&end
#
# 0 AMB 10-2:1364 24 THR HN 5.00 (# 1364:10 Single Ambig)
&rst
ixpk= 1364, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1163,1164,1165,1568,1569,1570,1572,1573,1574,
&end
#
# 59 ASN HA 59 ASN HN 3.50 (# 1366:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1366, nxpk= 10, iat= 860, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HA 59 ASN HN 5.00 (# 1368:10 Preassigned 3.51, 3.53 A)
&rst
ixpk= 1368, nxpk= 10, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 GLU HA 59 ASN HN 5.00 (# 1369:10 Unique 5.09, 5.15 A)
&rst
ixpk= 1369, nxpk= 10, iat= 833, 858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 ASP HN 59 ASN HN 2.70 (# 1370:10 Unique 1.79, 1.93 A)
&rst
ixpk= 1370, nxpk= 10, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 59 ASN HD21 59 ASN HN 6.00 (# 1371:10 Unique 4.70, 5.64 A)
&rst
ixpk= 1371, nxpk= 10, iat= 867, 858, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1372 59 ASN HN 3.50 (# 1372:10 Single Ambig)
&rst
ixpk= 1372, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 803, 835, 836, 876, 877,
&end
#
# 0 AMB 10-2:1374 20 THR HN 3.50 (# 1374:10 Single Ambig)
&rst
ixpk= 1374, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 279, 280, 279, 280,
&end
#
# 19 SER HN 20 THR HN 3.50 (# 1384:10 Preassigned 2.77, 3.12 A)
&rst
ixpk= 1384, nxpk= 10, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR HA 20 THR HN 3.50 (# 1385:10 Unique 2.86, 2.96 A)
&rst
ixpk= 1385, nxpk= 10, iat= 305, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1387 20 THR HN 3.50 (# 1387:10 Single Ambig)
&rst
ixpk= 1387, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 307, 296, 297,
&end
#
# 20 THR MG2 20 THR HN 5.00 (# 1388:10 Preassigned 4.42, 4.77 A)
&rst
ixpk= 1388, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 18 GLN HA 20 THR HN 5.00 (# 1389:10 Preassigned 3.53, 3.86 A)
&rst
ixpk= 1389, nxpk= 10, iat= 277, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 SER HA 20 THR HN 3.50 (# 1390:10 Unique 3.29, 3.51 A)
&rst
ixpk= 1390, nxpk= 10, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 SER HB- 20 THR HN 5.00 (# 1391:10 Unique 2.72, 3.64 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 296, 297,
&end
#
# 0 AMB 10-2:1392 20 THR HN 5.00 (# 1392:10 Single Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 282, 283, 282, 283,
&end
#
# 21 MET QG 20 THR HN 5.00 (# 1393:10 Unique 3.31, 4.65 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 324, 325,
&end
#
# 69 GLY HN 70 SER HN 5.00 (# 1444:10 Preassigned 2.31, 2.99 A)
&rst
ixpk= 1444, nxpk= 10, iat=1023,1030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 SER QB 70 SER HN 5.00 (# 1445:10 Preassigned 2.48, 3.09 A)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1034,1035,
&end
#
# 71 GLU HN 70 SER HN 3.50 (# 1446:10 Unique 2.78, 3.27 A)
&rst
ixpk= 1446, nxpk= 10, iat=1041,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 ASN HD22 70 SER HN 5.00 (# 1447:10 Preassigned 2.72, 4.11 A)
&rst
ixpk= 1447, nxpk= 10, iat= 986,1030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 SER HA 70 SER HN 3.50 (# 1448:10 Preassigned 2.60, 2.78 A)
&rst
ixpk= 1448, nxpk= 10, iat=1032,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1461 13 SER HN 5.00 (# 1461:10 Single Ambig)
&rst
ixpk= 1461, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 617, 618, 205, 224, 225,
&end
#
# 0 AMB 10-2:1469 28 SER HN 5.00 (# 1469:10 Single Ambig)
&rst
ixpk= 1469, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 400, 401,1161,
&end
#
# 14 VAL HN 13 SER HN 6.00 (# 1470:10 Preassigned 3.44, 3.63 A)
&rst
ixpk= 1470, nxpk= 10, iat= 201, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 VAL HA 13 SER HN 5.00 (# 1471:10 Unique 4.50, 4.76 A)
&rst
ixpk= 1471, nxpk= 10, iat= 203, 190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP QB 13 SER HN 5.00 (# 1473:10 Unique 3.44, 4.54 A)
&rst
ixpk= 1473, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 549, 550,
&end
#
# 38 ASP HN 13 SER HN 3.50 (# 1474:10 Preassigned 3.34, 3.50 A)
&rst
ixpk= 1474, nxpk= 10, iat= 545, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HA 13 SER HN 5.00 (# 1477:10 Unique 3.86, 4.13 A)
&rst
ixpk= 1477, nxpk= 10, iat= 537, 190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 PRO HA 13 SER HN 2.70 (# 1478:10 Unique 2.12, 2.18 A)
&rst
ixpk= 1478, nxpk= 10, iat= 186, 190, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 13 SER HA 13 SER HN 3.50 (# 1480:10 Unique 2.89, 2.94 A)
&rst
ixpk= 1480, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLY HA+ 13 SER HN 5.00 (# 1481:10 Unique 3.30, 3.75 A)
&rst
ixpk= 1481, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 560,
&end
#
# 13 SER QB 13 SER HN 3.50 (# 1482:10 Unique 2.40, 3.03 A)
&rst
ixpk= 1482, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 194, 195,
&end
#
# 39 GLY HA- 13 SER HN 5.00 (# 1483:10 Unique 3.30, 3.75 A)
&rst
ixpk= 1483, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 560,
&end
#
# 12 PRO HB- 13 SER HN 5.00 (# 1484:10 Preassigned 3.70, 4.08 A)
&rst
ixpk= 1484, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 183, 184,
&end
#
# 12 PRO HB+ 13 SER HN 5.00 (# 1485:10 Preassigned 3.70, 4.08 A)
&rst
ixpk= 1485, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 183, 184,
&end
#
# 37 ALA MB 13 SER HN 5.00 (# 1486:10 Unique 4.91, 5.95 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 539, 540, 541,
&end
#
# 29 GLN HN 28 SER HN 3.50 (# 1492:10 Unique 2.11, 2.97 A)
&rst
ixpk= 1492, nxpk= 10, iat= 426, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LEU HN 28 SER HN 3.50 (# 1493:10 Unique 2.50, 2.95 A)
&rst
ixpk= 1493, nxpk= 10, iat= 396, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1495 28 SER HN 3.50 (# 1495:10 Single Ambig)
&rst
ixpk= 1495, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 384,
&end
#
# 28 SER HA 28 SER HN 2.70 (# 1496:10 Preassigned 2.23, 2.53 A)
&rst
ixpk= 1496, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 79 LYS HN 80 SER HN 3.50 (# 1497:10 Preassigned 2.74, 2.92 A)
&rst
ixpk= 1497, nxpk= 10, iat=1185,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASP HN 80 SER HN 2.70 (# 1498:10 Unique 2.69, 2.73 A)
&rst
ixpk= 1498, nxpk= 10, iat=1218,1207, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 80 SER HB2 80 SER HN 3.50 (# 1499:10 Preassigned 3.41, 3.53 A)
&rst
ixpk= 1499, nxpk= 10, iat=1211,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 SER HB3 80 SER HN 3.50 (# 1500:10 Preassigned 2.58, 2.63 A)
&rst
ixpk= 1500, nxpk= 10, iat=1212,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LYS HA 80 SER HN 5.00 (# 1501:10 Unique 3.48, 3.55 A)
&rst
ixpk= 1501, nxpk= 10, iat=1187,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 LYS HB+ 80 SER HN 5.00 (# 1502:10 Preassigned 2.54, 3.37 A)
&rst
ixpk= 1502, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1189,1190,
&end
#
# 79 LYS HB- 80 SER HN 3.50 (# 1503:10 Preassigned 2.54, 3.37 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1190,
&end
#
# 82 GLU HN 80 SER HN 5.00 (# 1505:10 Preassigned 4.21, 4.29 A)
&rst
ixpk= 1505, nxpk= 10, iat=1230,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HA 80 SER HN 5.00 (# 1507:10 Unique 4.41, 4.56 A)
&rst
ixpk= 1507, nxpk= 10, iat=1175,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 SER HA 80 SER HN 3.50 (# 1508:10 Preassigned 2.77, 2.82 A)
&rst
ixpk= 1508, nxpk= 10, iat=1209,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ASP HB- 80 SER HN 5.00 (# 1509:10 Unique 2.53, 3.87 A)
&rst
ixpk= 1509, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1177,1178,
&end
#
# 63 TYR QD 64 SER HN 5.00 (# 1511:10 Preassigned 2.73, 4.12 A)
&rst
ixpk= 1511, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 932, 941,
&end
#
# 63 TYR HA 64 SER HN 2.70 (# 1512:10 Unique 2.45, 2.54 A)
&rst
ixpk= 1512, nxpk= 10, iat= 926, 945, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 64 SER HB+ 64 SER HN 3.50 (# 1513:10 Unique 2.94, 3.49 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 949, 950,
&end
#
# 64 SER HB- 64 SER HN 3.50 (# 1514:10 Unique 2.94, 3.49 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 949, 950,
&end
#
# 63 TYR QB 64 SER HN 3.50 (# 1515:10 Unique 2.06, 2.89 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 928, 929,
&end
#
# 0 AMB 10-2:1516 0 AMB 10-1:1516 3.50 (# 1516:10 Double Ambig)
&rst
ixpk= 1516, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1079,1123,1124,1192,1193,1192,1193,
igr2= 945,1207,
&end
#
# 73 ILE MD1 64 SER HN 5.00 (# 1517:10 Preassigned 4.26, 5.11 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1088,1089,1090,
&end
#
# 72 LEU MDY 64 SER HN 5.00 (# 1518:10 Preassigned 3.53, 5.25 A)
&rst
ixpk= 1518, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 73 ILE MG2 64 SER HN 5.00 (# 1530:10 Unique 4.43, 5.32 A)
&rst
ixpk= 1530, nxpk= 10, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1081,1082,1083,
&end
#
# 0 AMB 10-2:1531 30 SER HN 6.00 (# 1531:10 Single Ambig)
&rst
ixpk= 1531, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 464, 465, 466,1167,1168,1169,
&end
#
# 0 AMB 10-2:1538 30 SER HN 5.00 (# 1538:10 Single Ambig)
&rst
ixpk= 1538, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 454, 426,
&end
#
# 30 SER HA 30 SER HN 3.50 (# 1539:10 Unique 2.85, 2.94 A)
&rst
ixpk= 1539, nxpk= 10, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 VAL HA 30 SER HN 5.00 (# 1540:10 Unique 4.20, 4.87 A)
&rst
ixpk= 1540, nxpk= 10, iat= 456, 443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLN HA 30 SER HN 2.70 (# 1541:10 Unique 2.16, 2.40 A)
&rst
ixpk= 1541, nxpk= 10, iat= 428, 443, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 30 SER QB 30 SER HN 3.50 (# 1543:10 Unique 2.63, 3.30 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 29 GLN QG 30 SER HN 3.50 (# 1544:10 Unique 2.04, 4.00 A)
&rst
ixpk= 1544, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 433, 434,
&end
#
# 0 AMB 10-2:1545 30 SER HN 2.70 (# 1545:10 Single Ambig)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 430, 431, 430, 431,
&end
#
# 17 ARG HN 18 GLN HN 5.00 (# 1546:10 Preassigned 2.57, 3.11 A)
&rst
ixpk= 1546, nxpk= 10, iat= 251, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 GLN HA 18 GLN HN 5.00 (# 1548:10 Unique 2.34, 2.84 A)
&rst
ixpk= 1548, nxpk= 10, iat= 277, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ARG HA 18 GLN HN 5.00 (# 1549:10 Unique 2.23, 3.30 A)
&rst
ixpk= 1549, nxpk= 10, iat= 253, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 GLN HB- 18 GLN HN 3.50 (# 1550:10 Unique 2.24, 3.23 A)
&rst
ixpk= 1550, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 279, 280,
&end
#
# 17 ARG HB+ 18 GLN HN 5.00 (# 1551:10 Unique 2.03, 3.26 A)
&rst
ixpk= 1551, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 255, 256,
&end
#
# 17 ARG HB- 18 GLN HN 5.00 (# 1552:10 Unique 2.03, 3.26 A)
&rst
ixpk= 1552, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 255, 256,
&end
#
# 16 ALA MB 18 GLN HN 5.00 (# 1553:10 Preassigned 3.07, 4.70 A)
&rst
ixpk= 1553, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 245, 246, 247,
&end
#
# 93 ALA HN 92 LYS HN 3.50 (# 1558:10 Unique 2.91, 3.00 A)
&rst
ixpk= 1558, nxpk= 10, iat=1400,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASN HA 92 LYS HN 3.50 (# 1560:10 Unique 2.45, 2.52 A)
&rst
ixpk= 1560, nxpk= 10, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1561 92 LYS HN 5.00 (# 1561:10 Single Ambig)
&rst
ixpk= 1561, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 623,1402, 172,
&end
#
# 92 LYS HA 92 LYS HN 5.00 (# 1562:10 Unique 2.71, 2.76 A)
&rst
ixpk= 1562, nxpk= 10, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1563 92 LYS HN 3.50 (# 1563:10 Single Ambig)
&rst
ixpk= 1563, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1391,1392,1368,1369,
&end
#
# 91 ASN HB- 92 LYS HN 3.50 (# 1564:10 Unique 2.32, 3.24 A)
&rst
ixpk= 1564, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1368,1369,
&end
#
# 0 AMB 10-2:1565 92 LYS HN 3.50 (# 1565:10 Single Ambig)
&rst
ixpk= 1565, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1382,1383,1382,1383,
&end
#
# 92 LYS QG 92 LYS HN 3.50 (# 1566:10 Unique 2.14, 3.32 A)
&rst
ixpk= 1566, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1386,
&end
#
# 0 AMB 10-2:1567 63 TYR HN 5.00 (# 1567:10 Single Ambig)
&rst
ixpk= 1567, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 945,1113,
&end
#
# 61 GLU HN 63 TYR HN 5.00 (# 1568:10 Preassigned 4.58, 4.69 A)
&rst
ixpk= 1568, nxpk= 10, iat= 887, 924, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HN 63 TYR HN 2.70 (# 1570:10 Unique 2.17, 2.59 A)
&rst
ixpk= 1570, nxpk= 10, iat= 902, 924, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 63 TYR HA 63 TYR HN 3.50 (# 1573:10 Unique 2.87, 2.91 A)
&rst
ixpk= 1573, nxpk= 10, iat= 926, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLU HA 63 TYR HN 3.50 (# 1574:10 Unique 3.55, 3.62 A)
&rst
ixpk= 1574, nxpk= 10, iat= 874, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS HA 63 TYR HN 3.50 (# 1575:10 Unique 2.57, 2.65 A)
&rst
ixpk= 1575, nxpk= 10, iat= 904, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1576 63 TYR HN 3.50 (# 1576:10 Single Ambig)
&rst
ixpk= 1576, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 928, 929, 879, 880,
&end
#
# 62 LYS HB+ 63 TYR HN 5.00 (# 1577:10 Preassigned 4.38, 4.58 A)
&rst
ixpk= 1577, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 906, 907,
&end
#
# 62 LYS HB- 63 TYR HN 5.00 (# 1578:10 Unique 4.38, 4.58 A)
&rst
ixpk= 1578, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 906, 907,
&end
#
# 90 GLU HN 44 THR HN 3.50 (# 1617:10 Preassigned 3.04, 3.18 A)
&rst
ixpk= 1617, nxpk= 10, iat=1349, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASN HA 44 THR HN 3.50 (# 1618:10 Unique 3.56, 3.59 A)
&rst
ixpk= 1618, nxpk= 10, iat=1366, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1619 44 THR HN 2.70 (# 1619:10 Single Ambig)
&rst
ixpk= 1619, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 623, 629,
&end
#
# 44 THR HB 44 THR HN 3.50 (# 1621:10 Unique 2.42, 2.58 A)
&rst
ixpk= 1621, nxpk= 10, iat= 631, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASN HB- 44 THR HN 5.00 (# 1622:10 Unique 2.92, 3.66 A)
&rst
ixpk= 1622, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 43 PRO QB 44 THR HN 2.70 (# 1623:10 Unique 2.40, 2.99 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 620, 621,
&end
#
# 0 AMB 10-2:1624 44 THR HN 3.50 (# 1624:10 Single Ambig)
&rst
ixpk= 1624, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 180, 181, 617, 618, 183, 184,
&end
#
# 0 AMB 10-2:1641 44 THR HN 5.00 (# 1641:10 Single Ambig)
&rst
ixpk= 1641, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1341,1351,
&end
#
# 13 SER HA 15 ARG HE 5.00 (# 1658:10 Unique 3.88, 4.69 A)
&rst
ixpk= 1658, nxpk= 10, iat= 192, 230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ALA HN 94 GLY HN 2.70 (# 1661:10 Preassigned 2.26, 2.43 A)
&rst
ixpk= 1661, nxpk= 10, iat=1400,1410, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 ARG HD- 17 ARG HE 3.50 (# 1664:10 Unique 2.20, 2.68 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 17 ARG HB+ 17 ARG HE 5.00 (# 1665:10 Unique 2.10, 3.38 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 255, 256,
&end
#
# 17 ARG QG 17 ARG HE 3.50 (# 1666:10 Unique 2.18, 3.42 A)
&rst
ixpk= 1666, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 71 GLU HN 17 ARG HE 5.00 (# 1667:10 Unique 4.59, 5.03 A)
&rst
ixpk= 1667, nxpk= 10, iat=1041, 264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ARG HD+ 17 ARG HE 3.50 (# 1668:10 Unique 2.20, 2.68 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 17 ARG HB- 17 ARG HE 3.50 (# 1669:10 Unique 2.10, 3.38 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 34 ALA MB 17 ARG HE 5.00 (# 1670:10 Unique 2.06, 2.61 A)
&rst
ixpk= 1670, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 507, 508, 509,
&end
#
# 59 ASN HB+ 59 ASN HD21 5.00 (# 1675:10 Unique 2.29, 3.56 A)
&rst
ixpk= 1675, nxpk= 10, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 59 ASN HB- 59 ASN HD21 5.00 (# 1676:10 Unique 2.29, 3.56 A)
&rst
ixpk= 1676, nxpk= 10, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 15 ARG QD 15 ARG HE 5.00 (# 1678:10 Preassigned 2.22, 2.71 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 227, 228,
&end
#
# 59 ASN HB+ 59 ASN HD22 5.00 (# 1682:10 Unique 2.29, 3.01 A)
&rst
ixpk= 1682, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 59 ASN HB- 59 ASN HD22 5.00 (# 1683:10 Unique 2.29, 3.01 A)
&rst
ixpk= 1683, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 0 AMB 10-2:1690 26 ASN HD21 6.00 (# 1690:10 Single Ambig)
&rst
ixpk= 1690, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 386, 387,1621,1622,
&end
#
# 0 AMB 10-2:1695 26 ASN HD21 5.00 (# 1695:10 Single Ambig)
&rst
ixpk= 1695, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 386, 387,1621,1622,
&end
#
# 0 AMB 10-2:1702 26 ASN HD22 5.00 (# 1702:10 Single Ambig)
&rst
ixpk= 1702, nxpk= 10, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 386, 387,1621,1622,
&end
#
# 25 ALA MB 26 ASN HD22 5.00 (# 1703:10 Unique 4.27, 5.80 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 376, 377, 378,
&end
#
# 0 AMB 10-2:1741 26 ASN HN 5.00 (# 1741:10 Single Ambig)
&rst
ixpk= 1741, nxpk= 10, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1568,1569,1570,1572,1573,1574,1163,1164,1165,
&end
#
# 27 LEU HN 26 ASN HN 3.50 (# 1742:10 Unique 2.80, 3.12 A)
&rst
ixpk= 1742, nxpk= 10, iat= 396, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASN HA 26 ASN HN 2.70 (# 1743:10 Unique 2.18, 2.31 A)
&rst
ixpk= 1743, nxpk= 10, iat= 384, 382, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 25 ALA HA 26 ASN HN 3.50 (# 1744:10 Unique 2.07, 2.35 A)
&rst
ixpk= 1744, nxpk= 10, iat= 374, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASN HB- 26 ASN HN 5.00 (# 1745:10 Unique 2.40, 3.40 A)
&rst
ixpk= 1745, nxpk= 10, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 386, 387,
&end
#
# 25 ALA MB 26 ASN HN 3.50 (# 1746:10 Unique 2.00, 3.22 A)
&rst
ixpk= 1746, nxpk= 10, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 377, 378,
&end
#
# 100 ILE HN 99 THR HN 5.00 (# 1748:10 Unique 4.27, 4.32 A)
&rst
ixpk= 1748, nxpk= 10, iat=1485,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ALA HN 99 THR HN 5.00 (# 1749:10 Unique 4.34, 4.36 A)
&rst
ixpk= 1749, nxpk= 10, iat=1461,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ASN QB 22 ASN HD21 5.00 (# 1755:10 Unique 3.90, 4.00 A)
&rst
ixpk= 1755, nxpk= 10, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 338, 339,
&end
#
# 0 AMB 10-2:1759 22 ASN HD22 5.00 (# 1759:10 Single Ambig)
&rst
ixpk= 1759, nxpk= 10, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1547,1548, 309, 310, 311, 352, 353, 354,
&end
#
# 99 THR HA 99 THR HN 3.50 (# 1769:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1769, nxpk= 10, iat=1473,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ALA HA 99 THR HN 2.70 (# 1771:10 Unique 2.73, 2.77 A)
&rst
ixpk= 1771, nxpk= 10, iat=1463,1471, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 99 THR HB 99 THR HN 2.70 (# 1772:10 Unique 2.75, 2.78 A)
&rst
ixpk= 1772, nxpk= 10, iat=1475,1471, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 98 ALA MB 99 THR HN 3.50 (# 1773:10 Unique 2.10, 3.03 A)
&rst
ixpk= 1773, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1465,1466,1467,
&end
#
# 16 ALA MB 99 THR HN 5.00 (# 1774:10 Unique 2.58, 3.77 A)
&rst
ixpk= 1774, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 245, 246, 247,
&end
#
# 99 THR MG2 99 THR HN 5.00 (# 1775:10 Preassigned 4.47, 4.81 A)
&rst
ixpk= 1775, nxpk= 10, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1477,1478,1479,
&end
#
# 96 GLN HG- 96 GLN HE22 5.00 (# 1780:10 Unique 2.29, 3.34 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1439,1440,
&end
#
# 96 GLN HG+ 96 GLN HE21 3.50 (# 1792:10 Unique 2.78, 3.78 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1439,1440,
&end
#
# 96 GLN HG- 96 GLN HE21 5.00 (# 1793:10 Unique 2.78, 3.78 A)
&rst
ixpk= 1793, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1439,1440,
&end
#
# 96 GLN HB+ 96 GLN HE21 6.00 (# 1794:10 Unique 2.02, 4.01 A)
&rst
ixpk= 1794, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1436,1437,
&end
#
# 0 AMB 10-2:1812 56 GLN HE21 5.00 (# 1812:10 Single Ambig)
&rst
ixpk= 1812, nxpk= 10, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 648, 649, 821, 822,
&end
#
# 0 AMB 10-2:1813 56 GLN HE21 3.50 (# 1813:10 Single Ambig)
&rst
ixpk= 1813, nxpk= 10, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 648, 649, 821, 822,
&end
#
# 56 GLN HG+ 56 GLN HE22 5.00 (# 1816:10 Unique 2.34, 3.01 A)
&rst
ixpk= 1816, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 821, 822,
&end
#
# 0 AMB 10-2:1825 18 GLN HE21 6.00 (# 1825:10 Single Ambig)
&rst
ixpk= 1825, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 282, 283, 282, 283,
&end
#
# 18 GLN HA 18 GLN HE22 5.00 (# 1828:10 Unique 2.10, 4.23 A)
&rst
ixpk= 1828, nxpk= 10, iat= 277, 288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLN HB+ 29 GLN HE22 5.00 (# 1829:10 Unique 2.04, 3.62 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 430, 431,
&end
#
# 0 AMB 10-2:1830 0 AMB 10-1:1830 5.00 (# 1830:10 Double Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 319, 360,
igr2= 288, 439,
&end
#
# 29 GLN QG 29 GLN HE21 3.50 (# 1837:10 Unique 3.48, 3.82 A)
&rst
ixpk= 1837, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 433, 434,
&end
#
# 29 GLN QG 29 GLN HE22 5.00 (# 1841:10 Unique 2.21, 2.94 A)
&rst
ixpk= 1841, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 433, 434,
&end
#
# 0 AMB 10-2:1844 29 GLN HE22 5.00 (# 1844:10 Single Ambig)
&rst
ixpk= 1844, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 405, 406, 407, 409, 410, 411, 405, 406, 407, 409,
410, 411,
&end
#
# 71 GLU QB 66 ASN HD21 5.00 (# 1849:10 Unique 2.59, 4.05 A)
&rst
ixpk= 1849, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1045,1046,
&end
#
# 71 GLU HN 66 ASN HD22 5.00 (# 1856:10 Unique 2.31, 3.07 A)
&rst
ixpk= 1856, nxpk= 10, iat=1041, 986, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 THR MG2 48 THR HN 3.50 (# 1883:10 Preassigned 2.70, 3.75 A)
&rst
ixpk= 1883, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 702, 703, 704,
&end
#
# 85 TYR HA 48 THR HN 5.00 (# 1884:10 Unique 3.49, 3.70 A)
&rst
ixpk= 1884, nxpk= 10, iat=1272, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 THR HA 48 THR HN 5.00 (# 1885:10 Unique 2.95, 2.97 A)
&rst
ixpk= 1885, nxpk= 10, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1886 48 THR HN 3.50 (# 1886:10 Single Ambig)
&rst
ixpk= 1886, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676,1274,1275,
&end
#
# 47 TRP HB3 48 THR HN 5.00 (# 1893:10 Unique 3.39, 3.53 A)
&rst
ixpk= 1893, nxpk= 10, iat= 677, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 LYS HN 48 THR HN 5.00 (# 1894:10 Unique 4.16, 4.28 A)
&rst
ixpk= 1894, nxpk= 10, iat= 710, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1895 48 THR HN 5.00 (# 1895:10 Single Ambig)
&rst
ixpk= 1895, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 672,1320,
&end
#
# 0 AMB 10-2:1896 48 THR HN 3.50 (# 1896:10 Single Ambig)
&rst
ixpk= 1896, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1291, 744,
&end
#
# 47 TRP HA 48 THR HN 3.50 (# 1897:10 Unique 2.17, 2.29 A)
&rst
ixpk= 1897, nxpk= 10, iat= 674, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1899 48 THR HN 5.00 (# 1899:10 Single Ambig)
&rst
ixpk= 1899, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1312, 712,
&end
#
# 0 AMB 10-2:1900 48 THR HN 5.00 (# 1900:10 Single Ambig)
&rst
ixpk= 1900, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1295, 784,
&end
#
# 0 AMB 10-2:1901 48 THR HN 3.50 (# 1901:10 Single Ambig)
&rst
ixpk= 1901, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 793, 794, 795,1333,1334,1335,1297,1298,1299,
&end
#
# 0 AMB 10-2:1926 9 ASN HD21 3.50 (# 1926:10 Single Ambig)
&rst
ixpk= 1926, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 136, 137, 37, 38,
&end
#
# 93 ALA MB 9 ASN HD22 5.00 (# 1934:10 Unique 3.32, 5.17 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1404,1405,1406,
&end
#
# 68 ASP HA 69 GLY HN 5.00 (# 2035:10 Unique 3.25, 3.49 A)
&rst
ixpk= 2035, nxpk= 10, iat=1013,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLY HA- 69 GLY HN 3.50 (# 2036:10 Unique 2.20, 2.57 A)
&rst
ixpk= 2036, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1025,1026,
&end
#
# 70 SER HN 69 GLY HN 5.00 (# 2045:10 Preassigned 2.31, 2.99 A)
&rst
ixpk= 2045, nxpk= 10, iat=1030,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLY HA+ 69 GLY HN 5.00 (# 2048:10 Unique 2.20, 2.57 A)
&rst
ixpk= 2048, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1025,1026,
&end
#
# 0 AMB 10-2:2056 91 ASN HD21 5.00 (# 2056:10 Single Ambig)
&rst
ixpk= 2056, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1368,1369, 568, 569,
&end
#
# 40 PHE HN 91 ASN HD22 5.00 (# 2058:10 Preassigned 2.83, 3.03 A)
&rst
ixpk= 2058, nxpk= 10, iat= 564,1374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 PHE HN 91 ASN HD21 5.00 (# 2061:10 Unique 2.11, 2.28 A)
&rst
ixpk= 2061, nxpk= 10, iat= 564,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 ASN HB+ 91 ASN HD22 6.00 (# 2064:10 Unique 2.45, 2.63 A)
&rst
ixpk= 2064, nxpk= 10, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1368,1369,
&end
#
# 95 GLU HN 94 GLY HN 5.00 (# 2084:10 Preassigned 4.26, 4.32 A)
&rst
ixpk= 2084, nxpk= 10, iat=1417,1410, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 GLU HA 94 GLY HN 6.00 (# 2085:10 Unique 4.55, 4.68 A)
&rst
ixpk= 2085, nxpk= 10, iat=1351,1410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2091 94 GLY HN 5.00 (# 2091:10 Single Ambig)
&rst
ixpk= 2091, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 169, 170, 166, 167,1424,1425,1356,1357,
&end
#
# 0 AMB 10-2:2092 94 GLY HN 6.00 (# 2092:10 Single Ambig)
&rst
ixpk= 2092, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 183, 184,1382,1383,
&end
#
# 91 ASN HN 94 GLY HN 3.50 (# 2093:10 Preassigned 2.85, 2.91 A)
&rst
ixpk= 2093, nxpk= 10, iat=1364,1410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2095 94 GLY HN 3.50 (# 2095:10 Single Ambig)
&rst
ixpk= 2095, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 172,1402,
&end
#
# 94 GLY HA+ 94 GLY HN 3.50 (# 2096:10 Unique 2.75, 2.82 A)
&rst
ixpk= 2096, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1412,1413,
&end
#
# 92 LYS HA 94 GLY HN 5.00 (# 2097:10 Unique 4.04, 4.35 A)
&rst
ixpk= 2097, nxpk= 10, iat=1380,1410, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HA- 94 GLY HN 3.50 (# 2098:10 Unique 2.75, 2.82 A)
&rst
ixpk= 2098, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1412,1413,
&end
#
# 12 PRO HD+ 94 GLY HN 5.00 (# 2099:10 Unique 2.51, 3.25 A)
&rst
ixpk= 2099, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 177, 178,
&end
#
# 12 PRO HD- 94 GLY HN 5.00 (# 2100:10 Unique 2.51, 3.25 A)
&rst
ixpk= 2100, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 177, 178,
&end
#
# 93 ALA MB 94 GLY HN 3.50 (# 2101:10 Unique 2.73, 3.78 A)
&rst
ixpk= 2101, nxpk= 10, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1404,1405,1406,
&end
#
# 43 PRO HD+ 39 GLY HN 3.50 (# 2151:10 Unique 2.23, 3.16 A)
&rst
ixpk= 2151, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 614, 615,
&end
#
# 10 VAL MG1 39 GLY HN 5.00 (# 2160:10 Preassigned 5.06, 6.06 A)
&rst
ixpk= 2160, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 152, 153, 154,
&end
#
# 38 ASP HN 39 GLY HN 5.00 (# 2161:10 Unique 4.27, 4.36 A)
&rst
ixpk= 2161, nxpk= 10, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 PHE HN 39 GLY HN 5.00 (# 2162:10 Preassigned 4.30, 4.34 A)
&rst
ixpk= 2162, nxpk= 10, iat= 564, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HA 39 GLY HN 2.70 (# 2164:10 Unique 1.99, 2.14 A)
&rst
ixpk= 2164, nxpk= 10, iat= 547, 557, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 42 GLU HA 39 GLY HN 5.00 (# 2165:10 Unique 3.43, 4.40 A)
&rst
ixpk= 2165, nxpk= 10, iat= 600, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 GLY HA+ 39 GLY HN 3.50 (# 2166:10 Preassigned 2.59, 2.79 A)
&rst
ixpk= 2166, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559, 560,
&end
#
# 39 GLY HA- 39 GLY HN 3.50 (# 2167:10 Preassigned 2.59, 2.79 A)
&rst
ixpk= 2167, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559, 560,
&end
#
# 38 ASP QB 39 GLY HN 3.50 (# 2169:10 Preassigned 3.57, 4.07 A)
&rst
ixpk= 2169, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 549, 550,
&end
#
# 78 ASP HB+ 78 ASP HN 5.00 (# 2185:10 Unique 3.00, 3.45 A)
&rst
ixpk= 2185, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1177,1178,
&end
#
# 0 AMB 10-2:2187 78 ASP HN 3.50 (# 2187:10 Single Ambig)
&rst
ixpk= 2187, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1163,1164,1165,1568,1569,1570,1572,1573,1574,
&end
#
# 81 ASP HB- 78 ASP HN 6.00 (# 2188:10 Unique 2.33, 3.30 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1222,1223,
&end
#
# 73 ILE MD1 33 LEU HN 6.00 (# 2193:10 Preassigned 5.01, 6.18 A)
&rst
ixpk= 2193, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1088,1089,1090,
&end
#
# 72 LEU HN 33 LEU HN 3.50 (# 2194:10 Preassigned 2.88, 2.97 A)
&rst
ixpk= 2194, nxpk= 10, iat=1056, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2202 49 LYS HN 5.00 (# 2202:10 Single Ambig)
&rst
ixpk= 2202, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 756, 770, 771,1259,1260,
&end
#
# 0 AMB 10-2:2203 49 LYS HN 6.00 (# 2203:10 Single Ambig)
&rst
ixpk= 2203, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 744,1291,
&end
#
# 0 AMB 10-2:2204 89 ALA HN 5.00 (# 2204:10 Single Ambig)
&rst
ixpk= 2204, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1324, 205,
&end
#
# 0 AMB 10-2:2205 89 ALA HN 5.00 (# 2205:10 Single Ambig)
&rst
ixpk= 2205, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1453,1454,1314,
&end
#
# 97 ASP HB+ 89 ALA HN 5.00 (# 2206:10 Unique 3.78, 4.36 A)
&rst
ixpk= 2206, nxpk= 10, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1453,1454,
&end
#
# 0 AMB 10-2:2207 91 ASN HN 2.70 (# 2207:10 Single Ambig)
&rst
ixpk= 2207, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 180, 181,1353,1354, 183, 184,
&end
#
# 12 PRO HD- 91 ASN HN 5.00 (# 2208:10 Unique 3.00, 3.46 A)
&rst
ixpk= 2208, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 177, 178,
&end
#
# 0 AMB 10-2:2209 91 ASN HN 5.00 (# 2209:10 Single Ambig)
&rst
ixpk= 2209, nxpk= 10, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 172, 623,1402,
&end
#
# 87 CYS HN 88 ILE HN 5.00 (# 2210:10 Unique 4.23, 4.35 A)
&rst
ixpk= 2210, nxpk= 10, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET HA 88 ILE HN 5.00 (# 2211:10 Unique 4.66, 4.84 A)
&rst
ixpk= 2211, nxpk= 10, iat= 643,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ILE HB 88 ILE HN 3.50 (# 2212:10 Unique 2.50, 2.59 A)
&rst
ixpk= 2212, nxpk= 10, iat=1324,1320, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ARG HA 16 ALA HN 2.70 (# 2213:10 Unique 2.05, 2.19 A)
&rst
ixpk= 2213, nxpk= 10, iat= 219, 241, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 55 GLU HA 47 TRP HN 5.00 (# 2216:10 Unique 2.97, 3.51 A)
&rst
ixpk= 2216, nxpk= 10, iat= 801, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2217 47 TRP HN 5.00 (# 2217:10 Single Ambig)
&rst
ixpk= 2217, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 702, 703, 704, 790, 791,
&end
#
# 48 THR HN 47 TRP HN 5.00 (# 2219:10 Unique 4.30, 4.38 A)
&rst
ixpk= 2219, nxpk= 10, iat= 696, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASP HB- 79 LYS HN 3.50 (# 2221:10 Unique 2.11, 3.17 A)
&rst
ixpk= 2221, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1177,1178,
&end
#
# 81 ASP HN 79 LYS HN 5.00 (# 2222:10 Unique 4.20, 4.39 A)
&rst
ixpk= 2222, nxpk= 10, iat=1218,1185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 VAL MGX 79 LYS HN 5.00 (# 2224:10 Unique 3.50, 5.33 A)
&rst
ixpk= 2224, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL MGX 79 LYS HN 5.00 (# 2225:10 Unique 3.50, 5.33 A)
&rst
ixpk= 2225, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1568,1569,1570,1572,1573,1574,
&end
#
# 104 VAL HA 105 PHE HN 2.70 (# 2226:10 Preassigned 2.25, 2.29 A)
&rst
ixpk= 2226, nxpk= 10, iat=1564,1578, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:2227 42 GLU HN 5.00 (# 2227:10 Single Ambig)
&rst
ixpk= 2227, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615, 559, 560,
&end
#
# 0 AMB 10-2:2228 42 GLU HN 3.50 (# 2228:10 Single Ambig)
&rst
ixpk= 2228, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 605, 606, 605, 606,
&end
#
# 41 PRO QG 42 GLU HN 5.00 (# 2229:10 Unique 4.26, 4.88 A)
&rst
ixpk= 2229, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 588, 589,
&end
#
# 0 AMB 10-2:2230 96 GLN HN 3.50 (# 2230:10 Single Ambig)
&rst
ixpk= 2230, nxpk= 10, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1436,1437,1421,1422,1421,1422,
&end
#
# 103 LYS HB+ 103 LYS HN 3.50 (# 2232:10 Unique 2.40, 3.20 A)
&rst
ixpk= 2232, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1544,1545,
&end
#
# 36 ASP HN 17 ARG HN 5.00 (# 2233:10 Preassigned 2.38, 3.21 A)
&rst
ixpk= 2233, nxpk= 10, iat= 523, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 ASP HB3 17 ARG HN 5.00 (# 2234:10 Preassigned 4.47, 4.97 A)
&rst
ixpk= 2234, nxpk= 10, iat= 528, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 GLN HN 17 ARG HN 3.50 (# 2235:10 Unique 2.57, 3.11 A)
&rst
ixpk= 2235, nxpk= 10, iat= 275, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 ALA MB 17 ARG HN 3.50 (# 2236:10 Preassigned 3.38, 4.26 A)
&rst
ixpk= 2236, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 245, 246, 247,
&end
#
# 27 LEU HB- 28 SER HN 5.00 (# 2238:10 Unique 1.97, 3.24 A)
&rst
ixpk= 2238, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 400, 401,
&end
#
# 76 LYS HA 28 SER HN 5.00 (# 2240:10 Unique 3.72, 4.71 A)
&rst
ixpk= 2240, nxpk= 10, iat=1137, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 SER HB- 19 SER HN 5.00 (# 2241:10 Unique 2.48, 3.21 A)
&rst
ixpk= 2241, nxpk= 10, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 296, 297,
&end
#
# 18 GLN HB+ 19 SER HN 5.00 (# 2242:10 Unique 2.85, 4.20 A)
&rst
ixpk= 2242, nxpk= 10, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 279, 280,
&end
#
# 102 LEU HN 21 MET HN 5.00 (# 2243:10 Preassigned 4.56, 4.69 A)
&rst
ixpk= 2243, nxpk= 10, iat=1521, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PRO HG- 44 THR HN 5.00 (# 2244:10 Unique 4.01, 4.58 A)
&rst
ixpk= 2244, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 617, 618,
&end
#
# 0 AMB 10-2:2245 44 THR HN 5.00 (# 2245:10 Single Ambig)
&rst
ixpk= 2245, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 633, 634, 635, 539, 540, 541,
&end
#
# 105 PHE HB2 106 ALA HN 5.00 (# 2246:10 Unique 2.83, 3.07 A)
&rst
ixpk= 2246, nxpk= 10, iat=1582,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2248 101 HIS HN 5.00 (# 2248:10 Single Ambig)
&rst
ixpk= 2248, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1495,1496,1550,1551,1550,1551,
&end
#
# 0 AMB 10-2:2249 101 HIS HN 5.00 (# 2249:10 Single Ambig)
&rst
ixpk= 2249, nxpk= 10, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 296, 297, 307,
&end
#
# 0 AMB 10-2:2252 0 AMB 10-1:2252 5.00 (# 2252:10 Double Ambig)
&rst
ixpk= 2252, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 862, 863, 862, 863,
igr2= 872, 846,
&end
#
# 106 ALA HA 25 ALA HN 5.00 (# 2255:10 Unique 3.11, 3.62 A)
&rst
ixpk= 2255, nxpk= 10, iat=1600, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ASN HN 25 ALA HN 5.00 (# 2256:10 Unique 4.49, 4.59 A)
&rst
ixpk= 2256, nxpk= 10, iat= 382, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2257 25 ALA HN 5.00 (# 2257:10 Single Ambig)
&rst
ixpk= 2257, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1198,1199, 386, 387, 386, 387,1583,1621,1622,
&end
#
# 105 PHE QD 23 ALA HN 5.00 (# 2259:10 Unique 2.48, 4.52 A)
&rst
ixpk= 2259, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1586,1594,
&end
#
# 72 LEU MDX 72 LEU HN 5.00 (# 2260:10 Unique 4.45, 5.34 A)
&rst
ixpk= 2260, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 71 GLU QG 72 LEU HN 5.00 (# 2261:10 Unique 4.20, 4.84 A)
&rst
ixpk= 2261, nxpk= 10, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1048,1049,
&end
#
# 33 LEU HN 72 LEU HN 3.50 (# 2262:10 Unique 2.88, 2.97 A)
&rst
ixpk= 2262, nxpk= 10, iat= 484,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLN HG- 14 VAL HN 5.00 (# 2263:10 Unique 3.75, 4.81 A)
&rst
ixpk= 2263, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1439,1440,
&end
#
# 78 ASP HB+ 80 SER HN 5.00 (# 2264:10 Unique 2.53, 3.87 A)
&rst
ixpk= 2264, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1177,1178,
&end
#
# 63 TYR HN 64 SER HN 5.00 (# 2266:10 Unique 4.30, 4.37 A)
&rst
ixpk= 2266, nxpk= 10, iat= 924, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ILE HN 55 GLU HN 6.00 (# 2267:10 Unique 3.11, 3.33 A)
&rst
ixpk= 2267, nxpk= 10, iat= 780, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ASN HD22 55 GLU HN 5.00 (# 2268:10 Unique 2.82, 3.67 A)
&rst
ixpk= 2268, nxpk= 10, iat= 868, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ILE HG1+ 55 GLU HN 5.00 (# 2269:10 Unique 4.72, 5.10 A)
&rst
ixpk= 2269, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 790, 791,
&end
#
# 4 ILE HN 3 ASP HN 5.00 (# 2272:10 Unique 2.11, 3.98 A)
&rst
ixpk= 2272, nxpk= 10, iat= 45, 33, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2274 24 THR HN 5.00 (# 2274:10 Single Ambig)
&rst
ixpk= 2274, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1167,1168,1169, 464, 465, 466,
&end
#
# 0 AMB 10-2:2275 87 CYS HN 5.00 (# 2275:10 Single Ambig)
&rst
ixpk= 2275, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1295, 652, 653, 654,
&end
#
# 48 THR MG2 87 CYS HN 6.00 (# 2276:10 Unique 6.13, 7.44 A)
&rst
ixpk= 2276, nxpk= 10, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 702, 703, 704,
&end
#
# 45 MET ME 70 SER HN 5.00 (# 2277:10 Preassigned 4.44, 5.87 A)
&rst
ixpk= 2277, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 652, 653, 654,
&end
#
# 69 GLY HA- 70 SER HN 5.00 (# 2278:10 Preassigned 2.31, 3.14 A)
&rst
ixpk= 2278, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1025,1026,
&end
#
# 4 ILE HB 5 GLN HN 5.00 (# 2279:10 Unique 1.97, 2.37 A)
&rst
ixpk= 2279, nxpk= 10, iat= 49, 64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLN QG 5 GLN HN 5.00 (# 2280:10 Unique 2.50, 3.62 A)
&rst
ixpk= 2280, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 71, 72,
&end
#
# 0 AMB 10-2:2281 27 LEU HN 5.00 (# 2281:10 Single Ambig)
&rst
ixpk= 2281, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 364, 365, 366, 352, 353, 354,
&end
#
# 0 AMB 10-2:2282 27 LEU HN 2.70 (# 2282:10 Single Ambig)
&rst
ixpk= 2282, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 384, 398,
&end
#
# 0 AMB 10-2:2283 27 LEU HN 5.00 (# 2283:10 Single Ambig)
&rst
ixpk= 2283, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1621,1622, 386, 387,
&end
#
# 0 AMB 10-2:2284 27 LEU HN 5.00 (# 2284:10 Single Ambig)
&rst
ixpk= 2284, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1621,1622, 386, 387,
&end
#
# 60 GLU HB+ 61 GLU HN 3.50 (# 2286:10 Unique 2.57, 3.84 A)
&rst
ixpk= 2286, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 876, 877,
&end
#
# 59 ASN HB- 61 GLU HN 5.00 (# 2287:10 Unique 4.43, 4.96 A)
&rst
ixpk= 2287, nxpk= 10, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 863,
&end
#
# 0 AMB 10-2:2288 59 ASN HN 5.00 (# 2288:10 Single Ambig)
&rst
ixpk= 2288, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 838, 839, 879, 880, 773, 774,
&end
#
# 99 THR HN 98 ALA HN 5.00 (# 2291:10 Unique 4.34, 4.36 A)
&rst
ixpk= 2291, nxpk= 10, iat=1471,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ALA HA 98 ALA HN 3.50 (# 2293:10 Unique 2.87, 2.92 A)
&rst
ixpk= 2293, nxpk= 10, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HA 77 VAL HN 3.50 (# 2294:10 Unique 2.24, 2.75 A)
&rst
ixpk= 2294, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL MG2 77 VAL HN 2.70 (# 2295:10 Preassigned 2.11, 3.30 A)
&rst
ixpk= 2295, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1167,1168,1169,
&end
#
# 0 AMB 10-2:2296 102 LEU HN 5.00 (# 2296:10 Single Ambig)
&rst
ixpk= 2296, nxpk= 10, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1232, 712,
&end
#
# 79 LYS HN 81 ASP HN 5.00 (# 2297:10 Unique 4.20, 4.39 A)
&rst
ixpk= 2297, nxpk= 10, iat=1185,1218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 CYS HN 34 ALA HN 5.00 (# 2298:10 Preassigned 4.37, 4.42 A)
&rst
ixpk= 2298, nxpk= 10, iat= 513, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2299 13 SER HN 5.00 (# 2299:10 Single Ambig)
&rst
ixpk= 2299, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1343,1344,1345, 156, 157, 158,
&end
#
# 0 AMB 10-2:2300 91 ASN HD21 5.00 (# 2300:10 Single Ambig)
&rst
ixpk= 2300, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 177, 178, 163, 164,
&end
#
# 39 GLY HA+ 91 ASN HD21 5.00 (# 2301:10 Unique 2.82, 3.49 A)
&rst
ixpk= 2301, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 560,
&end
#
# 61 GLU QG 62 LYS HN 5.00 (# 2303:10 Unique 2.02, 4.35 A)
&rst
ixpk= 2303, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 894, 895,
&end
#
# 62 LYS HB- 62 LYS HN 3.50 (# 2306:10 Unique 3.46, 3.79 A)
&rst
ixpk= 2306, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 906, 907,
&end
#
# 0 AMB 10-2:2307 62 LYS HN 3.50 (# 2307:10 Single Ambig)
&rst
ixpk= 2307, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 906, 907,1104,1105,
&end
#
# 0 AMB 10-2:2309 8 VAL HN 5.00 (# 2309:10 Single Ambig)
&rst
ixpk= 2309, nxpk= 10, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 101, 15, 16,
&end
#
# 8 VAL HB 8 VAL HN 3.50 (# 2311:10 Preassigned 2.39, 2.68 A)
&rst
ixpk= 2311, nxpk= 10, iat= 120, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL HN 8 VAL HN 6.00 (# 2313:10 Preassigned 4.92, 5.09 A)
&rst
ixpk= 2313, nxpk= 10, iat= 146, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 SER HN 71 GLU HN 2.70 (# 2315:10 Preassigned 2.78, 3.27 A)
&rst
ixpk= 2315, nxpk= 10, iat=1030,1041, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 70 SER HA 71 GLU HN 5.00 (# 2316:10 Unique 2.21, 3.03 A)
&rst
ixpk= 2316, nxpk= 10, iat=1032,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLY HA- 71 GLU HN 5.00 (# 2317:10 Unique 4.29, 4.93 A)
&rst
ixpk= 2317, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1025,1026,
&end
#
# 0 AMB 10-2:2320 93 ALA HN 5.00 (# 2320:10 Single Ambig)
&rst
ixpk= 2320, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 177, 178, 163, 164, 163, 164,
&end
#
# 0 AMB 10-2:2321 93 ALA HN 5.00 (# 2321:10 Single Ambig)
&rst
ixpk= 2321, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1366, 148,
&end
#
# 91 ASN HB+ 93 ALA HN 5.00 (# 2322:10 Preassigned 3.68, 4.11 A)
&rst
ixpk= 2322, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 92 LYS HA 93 ALA HN 5.00 (# 2323:10 Unique 3.37, 3.45 A)
&rst
ixpk= 2323, nxpk= 10, iat=1380,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2325 91 ASN HD22 5.00 (# 2325:10 Single Ambig)
&rst
ixpk= 2325, nxpk= 10, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 623, 172,
&end
#
# 96 GLN HG+ 96 GLN HE22 5.00 (# 2326:10 Unique 2.29, 3.34 A)
&rst
ixpk= 2326, nxpk= 10, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1439,1440,
&end
#
# 22 ASN QB 22 ASN HD22 5.00 (# 2327:10 Unique 3.25, 3.43 A)
&rst
ixpk= 2327, nxpk= 10, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 338, 339,
&end
#
# 0 AMB 10-2:2328 9 ASN HD22 3.50 (# 2328:10 Single Ambig)
&rst
ixpk= 2328, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 136, 137, 37, 38,
&end
#
# 51 GLY HA- 51 GLY HN 2.70 (# 2329:10 Unique 2.30, 2.74 A)
&rst
ixpk= 2329, nxpk= 10, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 746, 747,
&end
#
# 96 GLN HB- 96 GLN HE21 5.00 (# 2330:10 Unique 2.02, 4.01 A)
&rst
ixpk= 2330, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1436,1437,
&end
#
# 37 ALA MB 39 GLY HN 6.00 (# 2331:10 Unique 4.92, 5.85 A)
&rst
ixpk= 2331, nxpk= 10, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 539, 540, 541,
&end
#
# 56 GLN HA 56 GLN HN 3.50 (# 2332:10 Unique 2.55, 2.63 A)
&rst
ixpk= 2332, nxpk= 10, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 GLN HG- 56 GLN HN 2.70 (# 2334:10 Unique 1.99, 2.71 A)
&rst
ixpk= 2334, nxpk= 10, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 821, 822,
&end
#
# 0 AMB 10-2:2335 45 MET HN 5.00 (# 2335:10 Single Ambig)
&rst
ixpk= 2335, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 645, 620, 621, 652, 653, 654,
&end
#
# 86 ILE HB 86 ILE HN 3.50 (# 2336:10 Unique 2.55, 2.63 A)
&rst
ixpk= 2336, nxpk= 10, iat=1295,1291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# chirality for residue 1 atoms: N C HA2 HA3
&rst iat=1,8,6,7,
r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150., &end
#
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