NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
480581 |
2p0p   |
7381 | cing | 1-original | 6 | AMBER | distance | NOE | simple |
#
# 10 ARG O 14 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 160, 218, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#
# 10 ARG O 14 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 160, 217, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 11 GLU O 15 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 175, 237, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 11 GLU O 15 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 175, 236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 12 HIS O 16 THR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 192, 252, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 12 HIS O 16 THR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 192, 251, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 13 ARG O 17 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 216, 266, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 13 ARG O 17 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 216, 265, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 14 ILE O 18 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 235, 281, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 14 ILE O 18 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 235, 280, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 26 GLU O 30 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 419, 470, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 26 GLU O 30 MET N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 419, 469, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 27 GLU O 31 GLY HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 434, 487, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 27 GLU O 31 GLY N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 434, 486, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 28 ARG O 32 TRP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 458, 494, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 28 ARG O 32 TRP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 458, 493, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 29 ALA O 33 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 468, 518, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 29 ALA O 33 TYR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 468, 517, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 30 MET O 34 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 485, 539, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 30 MET O 34 TYR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 485, 538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 31 GLY O 35 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 492, 560, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 31 GLY O 35 TYR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 492, 559, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 32 TRP O 36 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 516, 581, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 32 TRP O 36 LEU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 516, 580, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 33 TYR O 37 ASP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 537, 600, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 33 TYR O 37 ASP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 537, 599, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 34 TYR O 38 ASP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 558, 612, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 34 TYR O 38 ASP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 558, 611, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 35 TYR O 39 THR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 579, 624, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 35 TYR O 39 THR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 579, 623, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 36 LEU O 40 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 598, 638, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 36 LEU O 40 LEU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 598, 637, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 108 ASP O 112 ALA HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1708,1756, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 108 ASP O 112 ALA N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1708,1755, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 109 THR O 113 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1722,1766, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 109 THR O 113 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1722,1765, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 110 GLN O 114 ALA HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1739,1785, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 110 GLN O 114 ALA N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1739,1784, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 111 GLU O 115 ASP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1754,1795, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 111 GLU O 115 ASP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1754,1794, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 112 ALA O 116 TRP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1764,1807, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 112 ALA O 116 TRP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1764,1806, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 113 ILE O 117 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1783,1831, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 113 ILE O 117 LEU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1783,1830, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 114 ALA O 118 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1793,1850, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 114 ALA O 118 TYR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1793,1849, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 115 ASP O 119 TRP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1805,1871, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 115 ASP O 119 TRP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1805,1870, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 116 TRP O 120 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1829,1895, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 116 TRP O 120 LEU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1829,1894, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 117 LEU O 121 ALA HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1848,1914, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 117 LEU O 121 ALA N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1848,1913, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 118 TYR O 122 ARG HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1869,1924, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 118 TYR O 122 ARG N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1869,1923, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 65 VAL O 44 PHE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1088, 706, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 65 VAL O 44 PHE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1088, 705, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 45 MET O 103 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 741,1627, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 45 MET O 103 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 741,1626, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 63 VAL O 46 GLY HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1057, 743, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 63 VAL O 46 GLY N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1057, 742, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 47 LYS O 101 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 770,1602, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 47 LYS O 101 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 770,1601, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 61 LYS O 48 TRP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1027, 772, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 61 LYS O 48 TRP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1027, 771, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 59 GLU O 50 LYS HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 990, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 59 GLU O 50 LYS N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 990, 817, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 83 ALA O 64 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1353,1059, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 83 ALA O 64 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1353,1058, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 93 TYR O 82 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1493,1329, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 93 TYR O 82 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1493,1328, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 82 VAL O 93 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1343,1474, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 82 VAL O 93 TYR N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1343,1473, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 95 ALA O 80 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1517,1298, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 95 ALA O 80 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1517,1297, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 32 TRP HZ2 119 TRP HE1 5.20 (# 4:10 Unique 4.88, 5.28 A)
&rst
ixpk= 4, nxpk= 10, iat= 507,1881, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 119 TRP HZ2 119 TRP HE1 3.00 (# 5:10 Unique 2.82, 2.82 A)
&rst
ixpk= 5, nxpk= 10, iat=1884,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:6 119 TRP HE1 5.10 (# 6:10 Single 0.00, 0.00 )
&rst
ixpk= 6, nxpk= 10, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1965,1970,1826,
&end
#
# 119 TRP HD1 119 TRP HE1 3.00 (# 7:10 Unique 2.57, 2.57 A)
&rst
ixpk= 7, nxpk= 10, iat=1879,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 LEU HA 119 TRP HE1 4.20 (# 9:10 Unique 3.51, 3.80 A)
&rst
ixpk= 9, nxpk= 10, iat=1897,1881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:11 119 TRP HE1 4.00 (# 11:10 Single 0.00, 0.00 )
&rst
ixpk= 11, nxpk= 10, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 101 GLU HG+ 102 ALA HN 4.00 (# 12:10 Unique 1.90, 3.62 A)
&rst
ixpk= 12, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1609,1610,
&end
#
# 101 GLU HB- 102 ALA HN 4.00 (# 13:10 Unique 3.19, 4.00 A)
&rst
ixpk= 13, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1606,1607,
&end
#
# 102 ALA HA 102 ALA HN 3.50 (# 15:10 Unique 2.74, 2.85 A)
&rst
ixpk= 15, nxpk= 10, iat=1619,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 GLU HB+ 102 ALA HN 4.00 (# 16:10 Unique 3.19, 4.00 A)
&rst
ixpk= 16, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1606,1607,
&end
#
# 102 ALA MB 102 ALA HN 3.00 (# 17:10 Unique 2.26, 2.98 A)
&rst
ixpk= 17, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1621,1622,1623,
&end
#
# 113 ILE QD1 102 ALA HN 4.00 (# 18:10 Unique 3.48, 4.73 A)
&rst
ixpk= 18, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1779,1780,1781,
&end
#
# 48 TRP HH2 48 TRP HE1 5.00 (# 19:10 Unique 4.96, 4.97 A)
&rst
ixpk= 19, nxpk= 10, iat= 787, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TRP HZ2 48 TRP HE1 3.50 (# 20:10 Unique 2.82, 2.82 A)
&rst
ixpk= 20, nxpk= 10, iat= 785, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TRP HD1 48 TRP HE1 3.00 (# 21:10 Unique 2.57, 2.57 A)
&rst
ixpk= 21, nxpk= 10, iat= 780, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 TRP HA 48 TRP HE1 5.00 (# 22:10 Unique 4.74, 4.79 A)
&rst
ixpk= 22, nxpk= 10, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP HB+ 48 TRP HE1 3.50 (# 24:10 Unique 2.11, 2.82 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1575,1576,
&end
#
# 99 ASP HB- 48 TRP HE1 3.50 (# 25:10 Unique 2.11, 2.82 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1575,1576,
&end
#
# 0 AMB 10-2:26 48 TRP HE1 5.40 (# 26:10 Single 0.00, 0.00 )
&rst
ixpk= 26, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 800, 801,1011,1012,1523,1524,
&end
#
# 0 AMB 10-2:30 48 TRP HE1 4.00 (# 30:10 Single 0.00, 0.00 )
&rst
ixpk= 30, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1596,1597,1598,1513,1514,1515,
&end
#
# 49 LYS HA 49 LYS HN 3.50 (# 31:10 Unique 2.83, 2.84 A)
&rst
ixpk= 31, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP HB+ 49 LYS HN 5.40 (# 32:10 Unique 3.80, 5.04 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1575,1576,
&end
#
# 48 TRP HB- 49 LYS HN 5.00 (# 33:10 Unique 4.31, 4.48 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 776, 777,
&end
#
# 49 LYS HB+ 49 LYS HN 3.50 (# 34:10 Unique 2.73, 3.17 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 800, 801,
&end
#
# 48 TRP HD1 49 LYS HN 3.50 (# 35:10 Unique 2.77, 2.92 A)
&rst
ixpk= 35, nxpk= 10, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HB- 49 LYS HN 3.80 (# 36:10 Unique 2.73, 3.17 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 800, 801,
&end
#
# 100 ILE QD1 49 LYS HN 5.50 (# 37:10 Unique 3.84, 5.80 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 48 TRP HE1 49 LYS HN 5.50 (# 38:10 Unique 5.13, 5.25 A)
&rst
ixpk= 38, nxpk= 10, iat= 782, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HG+ 49 LYS HN 3.00 (# 39:10 Unique 1.60, 2.62 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 803, 804,
&end
#
# 48 TRP HN 49 LYS HN 4.50 (# 40:10 Unique 4.20, 4.21 A)
&rst
ixpk= 40, nxpk= 10, iat= 772, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 TRP HA 49 LYS HN 2.80 (# 41:10 Unique 2.20, 2.21 A)
&rst
ixpk= 41, nxpk= 10, iat= 774, 796, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:42 49 LYS HN 5.20 (# 42:10 Single 0.00, 0.00 )
&rst
ixpk= 42, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 752, 745, 746,
&end
#
# 99 ASP HB- 49 LYS HN 5.50 (# 43:10 Unique 3.80, 5.04 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1575,1576,
&end
#
# 49 LYS HG- 49 LYS HN 3.50 (# 44:10 Unique 1.60, 2.62 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 803, 804,
&end
#
# 0 AMB 10-2:45 49 LYS HN 5.00 (# 45:10 Single 0.00, 0.00 )
&rst
ixpk= 45, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 964, 965, 966,1589,1590,1591,
&end
#
# 80 VAL HN 95 ALA HN 3.00 (# 47:10 Unique 1.98, 2.28 A)
&rst
ixpk= 47, nxpk= 10, iat=1298,1509, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:48 95 ALA HN 4.50 (# 48:10 Single 0.00, 0.00 )
&rst
ixpk= 48, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1495,1314,
&end
#
# 94 THR HA 95 ALA HN 2.80 (# 49:10 Unique 2.14, 2.15 A)
&rst
ixpk= 49, nxpk= 10, iat=1497,1509, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLU HA 95 ALA HN 4.00 (# 50:10 Unique 3.65, 3.97 A)
&rst
ixpk= 50, nxpk= 10, iat=1316,1509, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ALA HA 95 ALA HN 3.50 (# 51:10 Unique 2.67, 2.73 A)
&rst
ixpk= 51, nxpk= 10, iat=1511,1509, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:52 95 ALA HN 4.50 (# 52:10 Single 0.00, 0.00 )
&rst
ixpk= 52, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1499,1521,
&end
#
# 0 AMB 10-2:53 95 ALA HN 4.80 (# 53:10 Single 0.00, 0.00 )
&rst
ixpk= 53, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1281,1282,1281,1282,
&end
#
# 0 AMB 10-2:54 95 ALA HN 5.00 (# 54:10 Single 0.00, 0.00 )
&rst
ixpk= 54, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1526,1527,1501,1502,1503,
&end
#
# 82 VAL MGY 95 ALA HN 5.00 (# 55:10 Unique 3.64, 5.60 A)
&rst
ixpk= 55, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 95 ALA MB 95 ALA HN 4.00 (# 56:10 Unique 3.14, 3.69 A)
&rst
ixpk= 56, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1513,1514,1515,
&end
#
# 59 GLU HG+ 59 GLU HN 4.00 (# 57:10 Unique 3.11, 3.60 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 984, 985,
&end
#
# 50 LYS HB+ 59 GLU HN 4.00 (# 59:10 Unique 2.61, 3.62 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 822, 823,
&end
#
# 58 ILE HG1+ 59 GLU HN 5.00 (# 60:10 Unique 4.12, 4.97 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 968, 969,
&end
#
# 58 ILE QG2 59 GLU HN 3.00 (# 61:10 Unique 3.02, 3.95 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 48 TRP HA 101 GLU HN 4.00 (# 62:10 Unique 3.28, 3.44 A)
&rst
ixpk= 62, nxpk= 10, iat= 774,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLU HA 59 GLU HN 3.00 (# 64:10 Unique 2.89, 2.92 A)
&rst
ixpk= 64, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 ILE HA 59 GLU HN 2.80 (# 65:10 Unique 2.14, 2.15 A)
&rst
ixpk= 65, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 GLU HG- 59 GLU HN 4.00 (# 66:10 Unique 3.11, 3.60 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 984, 985,
&end
#
# 58 ILE HG1- 59 GLU HN 5.00 (# 67:10 Unique 4.12, 4.97 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 968, 969,
&end
#
# 63 VAL HN 48 TRP HN 4.50 (# 69:10 Unique 3.59, 3.91 A)
&rst
ixpk= 69, nxpk= 10, iat=1043, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:70 0 AMB 10-1:70 4.80 (# 70:10 Double 0.00, 0.00 )
&rst
ixpk= 70, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1059,1029,1345,
igr2=1074, 772,
&end
#
# 45 MET HA 65 VAL HN 3.00 (# 71:10 Unique 2.38, 2.58 A)
&rst
ixpk= 71, nxpk= 10, iat= 728,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 GLU HG+ 65 VAL HN 4.00 (# 72:10 Unique 2.49, 3.50 A)
&rst
ixpk= 72, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1066,1067,
&end
#
# 63 VAL MGY 101 GLU HN 6.00 (# 73:10 Unique 5.54, 7.18 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 47 LYS HN 101 GLU HN 2.80 (# 74:10 Unique 2.23, 2.37 A)
&rst
ixpk= 74, nxpk= 10, iat= 750,1602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 LYS HB- 101 GLU HN 4.00 (# 75:10 Unique 3.22, 3.66 A)
&rst
ixpk= 75, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 754, 755,
&end
#
# 100 ILE HA 101 GLU HN 2.80 (# 76:10 Unique 2.35, 2.37 A)
&rst
ixpk= 76, nxpk= 10, iat=1585,1602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:78 101 GLU HN 4.00 (# 78:10 Single 0.00, 0.00 )
&rst
ixpk= 78, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1587,1609,1610,
&end
#
# 101 GLU HB+ 101 GLU HN 3.50 (# 79:10 Unique 2.55, 2.84 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1606,1607,
&end
#
# 101 GLU HB- 101 GLU HN 3.00 (# 80:10 Unique 2.55, 2.84 A)
&rst
ixpk= 80, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1606,1607,
&end
#
# 100 ILE HG1+ 101 GLU HN 3.50 (# 81:10 Unique 1.82, 2.87 A)
&rst
ixpk= 81, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1593,1594,
&end
#
# 100 ILE QG2 101 GLU HN 4.00 (# 82:10 Unique 2.41, 3.52 A)
&rst
ixpk= 82, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1589,1590,1591,
&end
#
# 100 ILE QD1 101 GLU HN 4.40 (# 84:10 Unique 2.18, 4.23 A)
&rst
ixpk= 84, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1596,1597,1598,
&end
#
# 48 TRP HA 48 TRP HN 3.50 (# 85:10 Unique 2.84, 2.85 A)
&rst
ixpk= 85, nxpk= 10, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 THR HA 48 TRP HN 4.00 (# 86:10 Unique 3.43, 3.56 A)
&rst
ixpk= 86, nxpk= 10, iat=1031, 772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:88 0 AMB 10-1:88 3.00 (# 88:10 Double 0.00, 0.00 )
&rst
ixpk= 88, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1066,1067,1011,1012,
igr2=1074, 772,
&end
#
# 65 VAL HB 65 VAL HN 3.00 (# 90:10 Unique 2.32, 2.50 A)
&rst
ixpk= 90, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:91 65 VAL HN 3.30 (# 91:10 Single 0.00, 0.00 )
&rst
ixpk= 91, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
&end
#
# 0 AMB 10-2:93 48 TRP HN 3.50 (# 93:10 Single 0.00, 0.00 )
&rst
ixpk= 93, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1007, 796,
&end
#
# 0 AMB 10-2:94 0 AMB 10-1:94 5.00 (# 94:10 Double 0.00, 0.00 )
&rst
ixpk= 94, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 780, 716, 720,
igr2= 772,1074,
&end
#
# 47 LYS HA 48 TRP HN 2.80 (# 95:10 Unique 2.16, 2.17 A)
&rst
ixpk= 95, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HB+ 48 TRP HN 3.00 (# 96:10 Unique 2.33, 2.55 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 776, 777,
&end
#
# 48 TRP HB- 48 TRP HN 3.00 (# 97:10 Unique 2.33, 2.55 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 776, 777,
&end
#
# 0 AMB 10-2:98 0 AMB 10-1:98 4.00 (# 98:10 Double 0.00, 0.00 )
&rst
ixpk= 98, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 760, 761, 754, 755,1063,1064,
igr2= 772,1074,
&end
#
# 63 VAL MGY 0 AMB 10-1:100 4.00 (# 100:10 Single 0.00, 0.00 )
&rst
ixpk= 100, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 772,1074,
&end
#
# 126 PHE HB+ 126 PHE HN 4.00 (# 101:10 Unique 2.66, 3.35 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2002,2003,
&end
#
# 126 PHE HD 126 PHE HN 5.00 (# 105:10 Unique 2.25, 4.43 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2006,2014,
&end
#
# 0 AMB 10-2:106 126 PHE HN 4.30 (# 106:10 Single 0.00, 0.00 )
&rst
ixpk= 106, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1884,2008,2012,
&end
#
# 126 PHE HB- 126 PHE HN 4.00 (# 108:10 Unique 2.66, 3.35 A)
&rst
ixpk= 108, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2002,2003,
&end
#
# 125 LYS HB+ 126 PHE HN 4.00 (# 109:10 Unique 2.73, 4.10 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1980,1981,
&end
#
# 0 AMB 10-2:110 126 PHE HN 4.50 (# 110:10 Single 0.00, 0.00 )
&rst
ixpk= 110, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1980,1981,1986,1987,
&end
#
# 51 LYS HA 51 LYS HN 3.50 (# 112:10 Unique 2.78, 2.91 A)
&rst
ixpk= 112, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LYS HA 51 LYS HN 3.00 (# 113:10 Unique 2.16, 2.37 A)
&rst
ixpk= 113, nxpk= 10, iat= 820, 840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 LYS HB+ 51 LYS HN 3.50 (# 114:10 Unique 2.06, 2.88 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 844, 845,
&end
#
# 51 LYS HB- 51 LYS HN 3.80 (# 115:10 Unique 2.06, 2.88 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 844, 845,
&end
#
# 0 AMB 10-2:116 51 LYS HN 5.00 (# 116:10 Single 0.00, 0.00 )
&rst
ixpk= 116, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 822, 823, 847, 848,
&end
#
# 50 LYS HG+ 51 LYS HN 3.00 (# 117:10 Unique 1.92, 2.60 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 825, 826,
&end
#
# 6 ARG HB+ 7 ASP HN 5.50 (# 120:10 Unique 3.49, 3.94 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 77, 78,
&end
#
# 7 ASP HA 7 ASP HN 4.50 (# 122:10 Unique 2.74, 2.83 A)
&rst
ixpk= 122, nxpk= 10, iat= 99, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ARG HA 7 ASP HN 5.00 (# 124:10 Unique 3.44, 3.49 A)
&rst
ixpk= 124, nxpk= 10, iat= 75, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:125 7 ASP HN 5.00 (# 125:10 Single 0.00, 0.00 )
&rst
ixpk= 125, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 65, 66, 101, 102,
&end
#
# 6 ARG HB- 7 ASP HN 5.00 (# 126:10 Unique 3.49, 3.94 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 77, 78,
&end
#
# 6 ARG HG+ 7 ASP HN 4.50 (# 127:10 Unique 1.97, 3.10 A)
&rst
ixpk= 127, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 80, 81,
&end
#
# 97 LEU HB+ 116 TRP HE1 3.80 (# 132:10 Unique 2.34, 3.33 A)
&rst
ixpk= 132, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1545,1546,
&end
#
# 98 SER HN 116 TRP HE1 4.50 (# 133:10 Unique 3.15, 3.98 A)
&rst
ixpk= 133, nxpk= 10, iat=1560,1817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 TRP HZ2 116 TRP HE1 3.50 (# 134:10 Unique 2.82, 2.82 A)
&rst
ixpk= 134, nxpk= 10, iat=1820,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 TRP HD1 116 TRP HE1 3.00 (# 135:10 Unique 2.57, 2.57 A)
&rst
ixpk= 135, nxpk= 10, iat=1815,1817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LEU MDY 116 TRP HE1 5.00 (# 137:10 Unique 4.00, 6.00 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 10-2:138 116 TRP HE1 3.80 (# 138:10 Single 0.00, 0.00 )
&rst
ixpk= 138, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1545,1546,1840,1841,1842,1844,1845,1846,
&end
#
# 97 LEU HG 116 TRP HE1 5.00 (# 139:10 Unique 4.50, 4.87 A)
&rst
ixpk= 139, nxpk= 10, iat=1548,1817, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:140 116 TRP HE1 4.00 (# 140:10 Single 0.00, 0.00 )
&rst
ixpk= 140, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 82 VAL HA 66 LEU HN 3.50 (# 142:10 Unique 2.34, 3.09 A)
&rst
ixpk= 142, nxpk= 10, iat=1331,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 66 LEU HN 3.50 (# 143:10 Unique 2.88, 2.92 A)
&rst
ixpk= 143, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HB+ 66 LEU HN 3.50 (# 144:10 Unique 2.22, 2.96 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1094,1095,
&end
#
# 65 VAL MGY 66 LEU HN 4.00 (# 145:10 Unique 2.23, 4.12 A)
&rst
ixpk= 145, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 10-2:146 66 LEU HN 3.00 (# 146:10 Single 0.00, 0.00 )
&rst
ixpk= 146, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1097,
&end
#
# 0 AMB 10-2:147 66 LEU HN 4.60 (# 147:10 Single 0.00, 0.00 )
&rst
ixpk= 147, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
&end
#
# 0 AMB 10-2:148 97 LEU HN 5.00 (# 148:10 Single 0.00, 0.00 )
&rst
ixpk= 148, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1298,1519,
&end
#
# 98 SER HN 97 LEU HN 3.50 (# 149:10 Unique 2.78, 2.87 A)
&rst
ixpk= 149, nxpk= 10, iat=1560,1541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 LYS HA 97 LEU HN 4.00 (# 150:10 Unique 3.52, 3.54 A)
&rst
ixpk= 150, nxpk= 10, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:151 97 LEU HN 5.00 (# 151:10 Single 0.00, 0.00 )
&rst
ixpk= 151, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1589,1590,1591,1264,1265,
&end
#
# 67 GLY HN 66 LEU HN 3.00 (# 152:10 Unique 2.00, 2.24 A)
&rst
ixpk= 152, nxpk= 10, iat=1109,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 VAL HA 66 LEU HN 3.00 (# 153:10 Unique 2.14, 2.18 A)
&rst
ixpk= 153, nxpk= 10, iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL MGX 97 LEU HN 5.00 (# 156:10 Unique 2.44, 4.34 A)
&rst
ixpk= 156, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 79 TYR HA 97 LEU HN 4.50 (# 157:10 Unique 3.04, 3.72 A)
&rst
ixpk= 157, nxpk= 10, iat=1279,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:159 97 LEU HN 4.00 (# 159:10 Single 0.00, 0.00 )
&rst
ixpk= 159, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1550,1551,1552,1554,1555,1556,1523,1524,
&end
#
# 97 LEU HB+ 97 LEU HN 3.50 (# 160:10 Unique 2.20, 2.98 A)
&rst
ixpk= 160, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1545,1546,
&end
#
# 0 AMB 10-2:161 97 LEU HN 4.00 (# 161:10 Single 0.00, 0.00 )
&rst
ixpk= 161, nxpk= 10, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1550,1551,1552,1554,1555,1556,1545,1546,
&end
#
# 122 ARG HN 121 ALA HN 3.50 (# 163:10 Unique 2.65, 2.88 A)
&rst
ixpk= 163, nxpk= 10, iat=1924,1914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 LEU HN 121 ALA HN 3.00 (# 164:10 Unique 2.19, 2.31 A)
&rst
ixpk= 164, nxpk= 10, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 118 TYR HA 121 ALA HN 4.00 (# 166:10 Unique 3.18, 3.34 A)
&rst
ixpk= 166, nxpk= 10, iat=1852,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 ALA HA 121 ALA HN 3.00 (# 168:10 Unique 2.72, 2.75 A)
&rst
ixpk= 168, nxpk= 10, iat=1916,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 LEU HA 121 ALA HN 4.00 (# 169:10 Unique 3.52, 3.55 A)
&rst
ixpk= 169, nxpk= 10, iat=1897,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:170 121 ALA HN 5.00 (# 170:10 Single 0.00, 0.00 )
&rst
ixpk= 170, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1926,1875,1876,
&end
#
# 120 LEU HB+ 121 ALA HN 4.00 (# 171:10 Unique 2.49, 3.35 A)
&rst
ixpk= 171, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1899,1900,
&end
#
# 121 ALA MB 121 ALA HN 3.00 (# 172:10 Unique 2.26, 2.89 A)
&rst
ixpk= 172, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 120 LEU HB- 121 ALA HN 3.80 (# 173:10 Unique 2.49, 3.35 A)
&rst
ixpk= 173, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1899,1900,
&end
#
# 0 AMB 10-2:176 121 ALA HN 4.50 (# 176:10 Single 0.00, 0.00 )
&rst
ixpk= 176, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 82 VAL HN 93 TYR HN 3.80 (# 181:10 Unique 3.00, 3.25 A)
&rst
ixpk= 181, nxpk= 10, iat=1329,1474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 93 TYR HD 93 TYR HN 4.00 (# 182:10 Unique 1.94, 3.51 A)
&rst
ixpk= 182, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1482,1491,
&end
#
# 93 TYR HE 93 TYR HN 5.00 (# 183:10 Unique 3.91, 4.93 A)
&rst
ixpk= 183, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1484,1489,
&end
#
# 83 ALA HA 93 TYR HN 3.80 (# 184:10 Unique 2.88, 3.25 A)
&rst
ixpk= 184, nxpk= 10, iat=1347,1474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 VAL HA 93 TYR HN 2.80 (# 185:10 Unique 2.16, 2.18 A)
&rst
ixpk= 185, nxpk= 10, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 TYR HB- 93 TYR HN 3.80 (# 186:10 Unique 2.82, 3.38 A)
&rst
ixpk= 186, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1478,1479,
&end
#
# 92 VAL HB 93 TYR HN 4.00 (# 187:10 Unique 3.43, 3.71 A)
&rst
ixpk= 187, nxpk= 10, iat=1462,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:189 93 TYR HN 3.30 (# 189:10 Single 0.00, 0.00 )
&rst
ixpk= 189, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 82 VAL MGX 93 TYR HN 4.00 (# 190:10 Unique 2.29, 4.73 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 92 VAL HN 93 TYR HN 5.00 (# 193:10 Unique 4.27, 4.32 A)
&rst
ixpk= 193, nxpk= 10, iat=1458,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HN 93 TYR HN 5.00 (# 194:10 Unique 4.44, 4.47 A)
&rst
ixpk= 194, nxpk= 10, iat=1495,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:195 93 TYR HN 3.00 (# 195:10 Single 0.00, 0.00 )
&rst
ixpk= 195, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1476,1316,
&end
#
# 93 TYR HB+ 93 TYR HN 4.00 (# 196:10 Unique 2.82, 3.38 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1478,1479,
&end
#
# 83 ALA MB 93 TYR HN 5.00 (# 197:10 Unique 4.53, 5.47 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1349,1350,1351,
&end
#
# 50 LYS HN 61 LYS HN 4.50 (# 199:10 Unique 3.51, 3.79 A)
&rst
ixpk= 199, nxpk= 10, iat= 818,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 TRP HD1 61 LYS HN 5.30 (# 200:10 Unique 4.54, 4.80 A)
&rst
ixpk= 200, nxpk= 10, iat= 780,1007, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 60 GLU HA 61 LYS HN 2.80 (# 201:10 Unique 2.14, 2.17 A)
&rst
ixpk= 201, nxpk= 10, iat= 994,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 LYS HA 61 LYS HN 4.00 (# 203:10 Unique 3.68, 3.88 A)
&rst
ixpk= 203, nxpk= 10, iat= 798,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 TRP HB+ 61 LYS HN 4.00 (# 204:10 Unique 2.30, 3.41 A)
&rst
ixpk= 204, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 776, 777,
&end
#
# 48 TRP HB- 61 LYS HN 4.00 (# 205:10 Unique 2.30, 3.41 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 776, 777,
&end
#
# 60 GLU HB+ 61 LYS HN 4.50 (# 206:10 Unique 2.79, 3.84 A)
&rst
ixpk= 206, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 996, 997,
&end
#
# 0 AMB 10-2:207 61 LYS HN 5.00 (# 207:10 Single 0.00, 0.00 )
&rst
ixpk= 207, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1017,1018, 800, 801,
&end
#
# 0 AMB 10-2:208 61 LYS HN 4.50 (# 208:10 Single 0.00, 0.00 )
&rst
ixpk= 208, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 757, 758,1014,1015,
&end
#
# 0 AMB 10-2:210 8 GLU HN 5.00 (# 210:10 Single 0.00, 0.00 )
&rst
ixpk= 210, nxpk= 10, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 65, 66, 101, 102, 101, 102, 116, 117,
&end
#
# 8 GLU HB- 8 GLU HN 4.50 (# 211:10 Unique 2.60, 3.76 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 113, 114,
&end
#
# 48 TRP HN 61 LYS HN 3.50 (# 212:10 Unique 2.76, 2.92 A)
&rst
ixpk= 212, nxpk= 10, iat= 772,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 LYS HA 61 LYS HN 4.50 (# 213:10 Unique 3.63, 4.01 A)
&rst
ixpk= 213, nxpk= 10, iat= 752,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 GLU HG+ 61 LYS HN 5.00 (# 214:10 Unique 4.22, 4.62 A)
&rst
ixpk= 214, nxpk= 10, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 999,1000,
&end
#
# 33 TYR HE 69 ALA HN 6.00 (# 215:10 Unique 3.92, 5.84 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 528, 533,
&end
#
# 81 GLU HN 69 ALA HN 4.50 (# 217:10 Unique 2.84, 3.90 A)
&rst
ixpk= 217, nxpk= 10, iat=1314,1133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 VAL HA 69 ALA HN 3.50 (# 218:10 Unique 1.89, 2.72 A)
&rst
ixpk= 218, nxpk= 10, iat=1300,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 MET HA 69 ALA HN 2.80 (# 219:10 Unique 2.28, 2.38 A)
&rst
ixpk= 219, nxpk= 10, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 MET HB+ 69 ALA HN 4.00 (# 220:10 Unique 1.87, 3.46 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1120,1121,
&end
#
# 73 GLU HB- 69 ALA HN 5.60 (# 221:10 Unique 4.49, 5.30 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1185,1186,
&end
#
# 68 MET ME 69 ALA HN 4.00 (# 222:10 Unique 2.98, 4.54 A)
&rst
ixpk= 222, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1127,1128,1129,
&end
#
# 69 ALA MB 69 ALA HN 3.00 (# 223:10 Unique 2.08, 2.92 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1137,1138,1139,
&end
#
# 80 VAL MGY 69 ALA HN 5.00 (# 224:10 Unique 3.66, 5.81 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 60 GLU HA 50 LYS HN 3.50 (# 227:10 Unique 2.82, 3.12 A)
&rst
ixpk= 227, nxpk= 10, iat= 994, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 MET HB- 79 TYR HN 4.00 (# 228:10 Unique 2.93, 3.66 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1264,1265,
&end
#
# 80 VAL HN 79 TYR HN 5.00 (# 229:10 Unique 4.34, 4.38 A)
&rst
ixpk= 229, nxpk= 10, iat=1298,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 CYS HA 79 TYR HN 5.60 (# 230:10 Unique 4.16, 4.56 A)
&rst
ixpk= 230, nxpk= 10, iat=1198,1277, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 68 MET ME 79 TYR HN 3.50 (# 231:10 Unique 1.80, 3.14 A)
&rst
ixpk= 231, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1127,1128,1129,
&end
#
# 78 MET HB+ 79 TYR HN 4.00 (# 232:10 Unique 2.93, 3.66 A)
&rst
ixpk= 232, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1264,1265,
&end
#
# 0 AMB 10-2:233 79 TYR HN 5.00 (# 233:10 Single 0.00, 0.00 )
&rst
ixpk= 233, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 590, 591, 592, 594, 595, 596,1267,1268,
&end
#
# 6 ARG HN 5 GLU HN 6.00 (# 234:10 Unique 4.41, 4.47 A)
&rst
ixpk= 234, nxpk= 10, iat= 73, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HA 5 GLU HN 4.50 (# 236:10 Unique 2.92, 3.05 A)
&rst
ixpk= 236, nxpk= 10, iat= 44, 58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLU HA 5 GLU HN 4.00 (# 237:10 Unique 2.79, 2.84 A)
&rst
ixpk= 237, nxpk= 10, iat= 60, 58, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLU HB+ 5 GLU HN 5.00 (# 238:10 Unique 2.37, 3.06 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 62, 63,
&end
#
# 5 GLU HB- 5 GLU HN 4.00 (# 239:10 Unique 2.37, 3.06 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 62, 63,
&end
#
# 58 ILE HA 58 ILE HN 3.00 (# 242:10 Unique 2.27, 2.40 A)
&rst
ixpk= 242, nxpk= 10, iat= 960, 958, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 ILE HG1+ 58 ILE HN 4.00 (# 243:10 Unique 2.68, 3.44 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 968, 969,
&end
#
# 58 ILE QG2 58 ILE HN 4.00 (# 244:10 Unique 4.22, 4.82 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 964, 965, 966,
&end
#
# 69 ALA HA 69 ALA HN 3.50 (# 245:10 Unique 2.81, 2.86 A)
&rst
ixpk= 245, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:248 50 LYS HN 4.50 (# 248:10 Single 0.00, 0.00 )
&rst
ixpk= 248, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1007, 796,
&end
#
# 49 LYS HA 50 LYS HN 2.80 (# 251:10 Unique 2.22, 2.23 A)
&rst
ixpk= 251, nxpk= 10, iat= 798, 818, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LYS HA 50 LYS HN 3.50 (# 252:10 Unique 2.89, 2.91 A)
&rst
ixpk= 252, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:253 50 LYS HN 4.40 (# 253:10 Single 0.00, 0.00 )
&rst
ixpk= 253, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 981, 982, 800, 801,
&end
#
# 49 LYS HB- 50 LYS HN 4.00 (# 254:10 Unique 3.97, 4.17 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 800, 801,
&end
#
# 0 AMB 10-2:255 50 LYS HN 5.00 (# 255:10 Single 0.00, 0.00 )
&rst
ixpk= 255, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 803, 804,1014,1015, 757, 758,
&end
#
# 50 LYS HB+ 50 LYS HN 3.00 (# 256:10 Unique 2.40, 2.61 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823,
&end
#
# 0 AMB 10-2:257 50 LYS HN 5.00 (# 257:10 Single 0.00, 0.00 )
&rst
ixpk= 257, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 828, 829, 968, 969,
&end
#
# 0 AMB 10-2:258 50 LYS HN 3.00 (# 258:10 Single 0.00, 0.00 )
&rst
ixpk= 258, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 822, 823, 964, 965, 966,
&end
#
# 60 GLU HG- 50 LYS HN 5.50 (# 259:10 Unique 4.49, 4.97 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 999,1000,
&end
#
# 41 GLU HA 41 GLU HN 3.70 (# 262:10 Unique 2.29, 2.83 A)
&rst
ixpk= 262, nxpk= 10, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 109 THR HA 41 GLU HN 5.00 (# 263:10 Unique 3.39, 3.85 A)
&rst
ixpk= 263, nxpk= 10, iat=1712, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 GLU HG+ 41 GLU HN 3.90 (# 264:10 Unique 2.05, 3.03 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 664, 665,
&end
#
# 41 GLU HB+ 41 GLU HN 4.00 (# 265:10 Unique 2.21, 3.12 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 661, 662,
&end
#
# 41 GLU HB- 41 GLU HN 3.70 (# 266:10 Unique 2.21, 3.12 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 661, 662,
&end
#
# 40 LEU HB+ 41 GLU HN 4.20 (# 267:10 Unique 2.56, 3.49 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 642, 643,
&end
#
# 39 THR MG2 41 GLU HN 5.50 (# 268:10 Unique 4.52, 6.12 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 630, 631, 632,
&end
#
# 40 LEU MDY 41 GLU HN 5.00 (# 269:10 Unique 3.50, 5.32 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 109 THR MG2 41 GLU HN 4.50 (# 270:10 Unique 1.98, 3.56 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1716,1717,1718,
&end
#
# 40 LEU HB- 41 GLU HN 4.50 (# 271:10 Unique 2.56, 3.49 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 0 AMB 10-2:273 79 TYR HN 4.00 (# 273:10 Single 0.00, 0.00 )
&rst
ixpk= 273, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1281,1282,1200,1201,
&end
#
# 0 AMB 10-2:274 79 TYR HN 5.00 (# 274:10 Single 0.00, 0.00 )
&rst
ixpk= 274, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1271,1272,1273,1188,1189,
&end
#
# 78 MET HN 79 TYR HN 5.20 (# 275:10 Unique 4.36, 4.52 A)
&rst
ixpk= 275, nxpk= 10, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 33 TYR HE 79 TYR HN 5.80 (# 277:10 Unique 5.94, 7.00 A)
&rst
ixpk= 277, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 528, 533,
&end
#
# 79 TYR HA 79 TYR HN 3.50 (# 278:10 Unique 2.91, 2.92 A)
&rst
ixpk= 278, nxpk= 10, iat=1279,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 MET HA 79 TYR HN 2.80 (# 279:10 Unique 2.14, 2.18 A)
&rst
ixpk= 279, nxpk= 10, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 ALA MB 79 TYR HN 5.00 (# 280:10 Unique 3.24, 5.76 A)
&rst
ixpk= 280, nxpk= 10, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1137,1138,1139,
&end
#
# 0 AMB 10-2:289 58 ILE HN 4.00 (# 289:10 Single 0.00, 0.00 )
&rst
ixpk= 289, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 946, 842, 935,
&end
#
# 57 THR HB 58 ILE HN 5.00 (# 290:10 Unique 3.85, 4.33 A)
&rst
ixpk= 290, nxpk= 10, iat= 948, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:291 58 ILE HN 3.50 (# 291:10 Single 0.00, 0.00 )
&rst
ixpk= 291, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 962, 844, 845,
&end
#
# 58 ILE HG1- 58 ILE HN 4.00 (# 292:10 Unique 2.68, 3.44 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 968, 969,
&end
#
# 57 THR MG2 58 ILE HN 4.00 (# 293:10 Unique 2.84, 4.11 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 950, 951, 952,
&end
#
# 105 VAL HN 104 ASP HN 3.50 (# 296:10 Unique 2.51, 2.74 A)
&rst
ixpk= 296, nxpk= 10, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ASP HA 104 ASP HN 2.80 (# 297:10 Unique 2.28, 2.28 A)
&rst
ixpk= 297, nxpk= 10, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 ILE HA 104 ASP HN 2.80 (# 298:10 Unique 2.14, 2.19 A)
&rst
ixpk= 298, nxpk= 10, iat=1629,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 ASP HB+ 104 ASP HN 4.00 (# 299:10 Unique 3.03, 3.48 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1650,1651,
&end
#
# 104 ASP HB- 104 ASP HN 4.00 (# 300:10 Unique 3.03, 3.48 A)
&rst
ixpk= 300, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1650,1651,
&end
#
# 103 ILE QG2 104 ASP HN 3.00 (# 301:10 Unique 1.92, 3.49 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1633,1634,1635,
&end
#
# 72 ASP HN 71 ASP HN 3.50 (# 303:10 Unique 2.54, 2.72 A)
&rst
ixpk= 303, nxpk= 10, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ASP HA 71 ASP HN 3.50 (# 304:10 Unique 2.74, 2.78 A)
&rst
ixpk= 304, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:306 71 ASP HN 3.00 (# 306:10 Single 0.00, 0.00 )
&rst
ixpk= 306, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1161,1162,1150,1151,
&end
#
# 33 TYR HE 71 ASP HN 6.00 (# 307:10 Unique 2.72, 6.68 A)
&rst
ixpk= 307, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 528, 533,
&end
#
# 12 HIS HD2 13 ARG HN 4.70 (# 308:10 Unique 2.55, 4.01 A)
&rst
ixpk= 308, nxpk= 10, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 0 AMB 10-2:310 13 ARG HN 5.00 (# 310:10 Single 0.00, 0.00 )
&rst
ixpk= 310, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 258, 259, 260, 142, 143,
&end
#
# 0 AMB 10-2:311 104 ASP HN 7.00 (# 311:10 Single 0.00, 0.00 )
&rst
ixpk= 311, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 730, 731,1728,1729,
&end
#
# 60 GLU HA 60 GLU HN 3.50 (# 313:10 Unique 2.84, 2.86 A)
&rst
ixpk= 313, nxpk= 10, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLU HA 60 GLU HN 2.80 (# 316:10 Unique 2.14, 2.16 A)
&rst
ixpk= 316, nxpk= 10, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 GLU HG+ 60 GLU HN 3.50 (# 317:10 Unique 2.16, 3.16 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 60 GLU HG- 60 GLU HN 3.00 (# 318:10 Unique 2.16, 3.16 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 999,1000,
&end
#
# 0 AMB 10-2:319 60 GLU HN 4.00 (# 319:10 Single 0.00, 0.00 )
&rst
ixpk= 319, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 981, 982, 962,
&end
#
# 58 ILE QG2 60 GLU HN 5.00 (# 320:10 Unique 3.60, 4.48 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 964, 965, 966,
&end
#
# 115 ASP HN 116 TRP HN 3.50 (# 321:10 Unique 2.84, 2.95 A)
&rst
ixpk= 321, nxpk= 10, iat=1795,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 LEU HN 116 TRP HN 3.50 (# 322:10 Unique 2.52, 2.74 A)
&rst
ixpk= 322, nxpk= 10, iat=1831,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:323 116 TRP HN 4.50 (# 323:10 Single 0.00, 0.00 )
&rst
ixpk= 323, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1850,1785,1871,
&end
#
# 110 GLN HE2+ 116 TRP HN 7.00 (# 324:10 Unique 6.64, 7.00 A)
&rst
ixpk= 324, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1736,1737,
&end
#
# 115 ASP HA 116 TRP HN 4.00 (# 326:10 Unique 3.51, 3.55 A)
&rst
ixpk= 326, nxpk= 10, iat=1797,1807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 TRP HA 116 TRP HN 3.50 (# 327:10 Unique 2.79, 2.82 A)
&rst
ixpk= 327, nxpk= 10, iat=1809,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:328 116 TRP HN 3.50 (# 328:10 Single 0.00, 0.00 )
&rst
ixpk= 328, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1799,1800,1768,
&end
#
# 116 TRP HB+ 116 TRP HN 3.00 (# 329:10 Unique 2.12, 2.57 A)
&rst
ixpk= 329, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1811,1812,
&end
#
# 116 TRP HB- 116 TRP HN 3.00 (# 330:10 Unique 2.12, 2.57 A)
&rst
ixpk= 330, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1811,1812,
&end
#
# 115 ASP HB- 116 TRP HN 3.50 (# 332:10 Unique 2.52, 2.98 A)
&rst
ixpk= 332, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1799,1800,
&end
#
# 117 LEU HG 116 TRP HN 5.00 (# 333:10 Unique 4.50, 4.93 A)
&rst
ixpk= 333, nxpk= 10, iat=1838,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:334 116 TRP HN 5.00 (# 334:10 Single 0.00, 0.00 )
&rst
ixpk= 334, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1772,1773,1774,1545,1546,1899,1900,
&end
#
# 14 ILE HN 13 ARG HN 3.80 (# 335:10 Unique 3.26, 3.28 A)
&rst
ixpk= 335, nxpk= 10, iat= 218, 194, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 HIS HN 13 ARG HN 3.50 (# 336:10 Unique 2.94, 2.99 A)
&rst
ixpk= 336, nxpk= 10, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 HIS HA 13 ARG HN 4.00 (# 337:10 Unique 3.56, 3.57 A)
&rst
ixpk= 337, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:338 13 ARG HN 4.00 (# 338:10 Single 0.00, 0.00 )
&rst
ixpk= 338, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 126, 111,
&end
#
# 13 ARG HA 13 ARG HN 3.00 (# 339:10 Unique 2.71, 2.72 A)
&rst
ixpk= 339, nxpk= 10, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 HIS HB+ 13 ARG HN 4.00 (# 340:10 Unique 2.05, 2.68 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 181, 182,
&end
#
# 12 HIS HB- 13 ARG HN 3.00 (# 341:10 Unique 2.05, 2.68 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 181, 182,
&end
#
# 0 AMB 10-2:342 13 ARG HN 4.80 (# 342:10 Single 0.00, 0.00 )
&rst
ixpk= 342, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 273, 274, 222,
&end
#
# 15 GLU HB- 13 ARG HN 5.00 (# 343:10 Unique 4.64, 5.52 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242,
&end
#
# 13 ARG HB- 13 ARG HN 3.80 (# 344:10 Unique 2.70, 3.19 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 198, 199,
&end
#
# 13 ARG HB+ 13 ARG HN 3.00 (# 345:10 Unique 2.70, 3.19 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 198, 199,
&end
#
# 13 ARG HG- 13 ARG HN 3.00 (# 347:10 Unique 1.93, 2.38 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 201, 202,
&end
#
# 13 ARG HG+ 13 ARG HN 3.00 (# 348:10 Unique 1.93, 2.38 A)
&rst
ixpk= 348, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 201, 202,
&end
#
# 103 ILE QD1 103 ILE HN 4.00 (# 351:10 Unique 2.23, 3.59 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1640,1641,1642,
&end
#
# 105 VAL MGY 103 ILE HN 4.00 (# 352:10 Unique 2.84, 4.47 A)
&rst
ixpk= 352, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 45 MET HB- 103 ILE HN 6.00 (# 353:10 Unique 4.86, 5.44 A)
&rst
ixpk= 353, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 730, 731,
&end
#
# 0 AMB 10-2:354 116 TRP HN 6.00 (# 354:10 Single 0.00, 0.00 )
&rst
ixpk= 354, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1789,1790,1791,1545,1546, 231, 232, 233,
&end
#
# 114 ALA HA 116 TRP HN 5.00 (# 356:10 Unique 4.06, 4.39 A)
&rst
ixpk= 356, nxpk= 10, iat=1787,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:357 116 TRP HN 5.00 (# 357:10 Single 0.00, 0.00 )
&rst
ixpk= 357, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
595, 596,1267,1268,
&end
#
# 113 ILE QG2 115 ASP HN 6.00 (# 358:10 Unique 5.22, 6.16 A)
&rst
ixpk= 358, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1772,1773,1774,
&end
#
# 114 ALA HN 115 ASP HN 3.50 (# 359:10 Unique 2.71, 2.93 A)
&rst
ixpk= 359, nxpk= 10, iat=1785,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 TRP HN 115 ASP HN 3.50 (# 360:10 Unique 2.84, 2.95 A)
&rst
ixpk= 360, nxpk= 10, iat=1807,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLN HE2+ 115 ASP HN 5.50 (# 362:10 Unique 4.52, 5.07 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1736,1737,
&end
#
# 112 ALA HA 115 ASP HN 4.00 (# 365:10 Unique 3.54, 3.89 A)
&rst
ixpk= 365, nxpk= 10, iat=1758,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ASP HB+ 115 ASP HN 3.00 (# 367:10 Unique 2.08, 2.82 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1799,1800,
&end
#
# 0 AMB 10-2:368 115 ASP HN 5.60 (# 368:10 Single 0.00, 0.00 )
&rst
ixpk= 368, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1811,1812,1854,1855,
&end
#
# 114 ALA MB 115 ASP HN 3.00 (# 371:10 Unique 2.42, 3.17 A)
&rst
ixpk= 371, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1789,1790,1791,
&end
#
# 112 ALA MB 115 ASP HN 5.00 (# 372:10 Unique 5.21, 5.85 A)
&rst
ixpk= 372, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 0 AMB 10-2:374 103 ILE HN 4.00 (# 374:10 Single 0.00, 0.00 )
&rst
ixpk= 374, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 750,1617,
&end
#
# 44 PHE HD 103 ILE HN 5.00 (# 375:10 Unique 3.33, 5.65 A)
&rst
ixpk= 375, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 714, 722,
&end
#
# 46 GLY HA- 103 ILE HN 3.50 (# 376:10 Unique 1.97, 2.89 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 102 ALA HA 103 ILE HN 2.80 (# 377:10 Unique 2.14, 2.15 A)
&rst
ixpk= 377, nxpk= 10, iat=1619,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 GLY HA+ 103 ILE HN 3.50 (# 378:10 Unique 1.97, 2.89 A)
&rst
ixpk= 378, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 45 MET ME 103 ILE HN 5.00 (# 379:10 Unique 3.12, 4.54 A)
&rst
ixpk= 379, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 737, 738, 739,
&end
#
# 103 ILE HB 103 ILE HN 2.80 (# 380:10 Unique 2.21, 2.37 A)
&rst
ixpk= 380, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 ALA MB 103 ILE HN 4.50 (# 381:10 Unique 3.49, 4.14 A)
&rst
ixpk= 381, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1621,1622,1623,
&end
#
# 48 TRP HE1 96 LYS HN 5.00 (# 382:10 Unique 4.85, 5.02 A)
&rst
ixpk= 382, nxpk= 10, iat= 782,1519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TRP HD1 96 LYS HN 6.00 (# 383:10 Unique 5.84, 6.07 A)
&rst
ixpk= 383, nxpk= 10, iat= 780,1519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 LYS HA 96 LYS HN 3.00 (# 387:10 Unique 2.27, 2.28 A)
&rst
ixpk= 387, nxpk= 10, iat=1521,1519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ASP HB- 96 LYS HN 5.00 (# 388:10 Unique 4.87, 5.48 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1575,1576,
&end
#
# 96 LYS HB+ 96 LYS HN 4.00 (# 389:10 Unique 3.29, 3.82 A)
&rst
ixpk= 389, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1523,1524,
&end
#
# 0 AMB 10-2:390 96 LYS HN 3.00 (# 390:10 Single 0.00, 0.00 )
&rst
ixpk= 390, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1529,1530,1523,1524,
&end
#
# 96 LYS HG+ 96 LYS HN 4.50 (# 391:10 Unique 3.15, 4.15 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1526,1527,
&end
#
# 96 LYS HG- 96 LYS HN 4.00 (# 392:10 Unique 3.15, 4.15 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1526,1527,
&end
#
# 95 ALA MB 96 LYS HN 3.00 (# 393:10 Unique 1.82, 2.47 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1513,1514,1515,
&end
#
# 114 ALA HA 115 ASP HN 4.00 (# 395:10 Unique 3.52, 3.56 A)
&rst
ixpk= 395, nxpk= 10, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ASP HB- 115 ASP HN 3.50 (# 396:10 Unique 2.08, 2.82 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1799,1800,
&end
#
# 0 AMB 10-2:397 36 LEU HN 6.00 (# 397:10 Single 0.00, 0.00 )
&rst
ixpk= 397, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1127,1128,1129, 647, 648, 649, 651, 652, 653,
&end
#
# 36 LEU MDX 36 LEU HN 4.00 (# 398:10 Unique 3.28, 5.03 A)
&rst
ixpk= 398, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 117 LEU HN 118 TYR HN 3.50 (# 399:10 Unique 2.70, 2.87 A)
&rst
ixpk= 399, nxpk= 10, iat=1831,1850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 TYR HD 0 AMB 10-1:400 4.00 (# 400:10 Single 0.00, 0.00 )
&rst
ixpk= 400, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1858,1867,
igr2=1850,1871,
&end
#
# 118 TYR HA 0 AMB 10-1:402 3.00 (# 402:10 Single 0.00, 0.00 )
&rst
ixpk= 402, nxpk= 10, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1850,1871,
&end
#
# 0 AMB 10-2:403 0 AMB 10-1:403 4.00 (# 403:10 Double 0.00, 0.00 )
&rst
ixpk= 403, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1833,1799,1800,
igr2=1850,1871,
&end
#
# 118 TYR HB- 0 AMB 10-1:404 3.50 (# 404:10 Single 0.00, 0.00 )
&rst
ixpk= 404, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1854,1855,
igr2=1871,1850,
&end
#
# 0 AMB 10-2:405 0 AMB 10-1:405 3.00 (# 405:10 Double 0.00, 0.00 )
&rst
ixpk= 405, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1854,1855,1854,1855,
igr2=1871,1850,
&end
#
# 117 LEU HB- 118 TYR HN 3.50 (# 407:10 Unique 2.60, 3.19 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1835,1836,
&end
#
# 0 AMB 10-2:408 118 TYR HN 3.50 (# 408:10 Single 0.00, 0.00 )
&rst
ixpk= 408, nxpk= 10, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1835,1836,1899,1900,
&end
#
# 0 AMB 10-2:409 0 AMB 10-1:409 4.40 (# 409:10 Double 0.00, 0.00 )
&rst
ixpk= 409, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1899,1900,1840,1841,1842,1844,1845,1846, 142, 143,
igr2=1850,1871,
&end
#
# 0 AMB 10-2:410 0 AMB 10-1:410 6.00 (# 410:10 Double 0.00, 0.00 )
&rst
ixpk= 410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1840,1841,1842,1844,1845,1846,1959,1960,
igr2=1850,1871,
&end
#
# 118 TYR HD 0 AMB 10-1:412 4.00 (# 412:10 Single 0.00, 0.00 )
&rst
ixpk= 412, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1858,1867,
igr2=1850,1871,
&end
#
# 119 TRP HD1 0 AMB 10-1:415 4.50 (# 415:10 Single 0.00, 0.00 )
&rst
ixpk= 415, nxpk= 10, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1850,
&end
#
# 119 TRP HA 119 TRP HN 3.50 (# 416:10 Unique 2.74, 2.77 A)
&rst
ixpk= 416, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 TRP HB+ 119 TRP HN 3.00 (# 417:10 Unique 2.08, 2.62 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1875,1876,
&end
#
# 0 AMB 10-2:420 0 AMB 10-1:420 5.00 (# 420:10 Double 0.00, 0.00 )
&rst
ixpk= 420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1=1928,1929,1904,1905,1906,1908,1909,1910,1904,1905,
1906,1908,1909,1910,
igr2=1871,1850,
&end
#
# 120 LEU HN 0 AMB 10-1:421 3.50 (# 421:10 Single 0.00, 0.00 )
&rst
ixpk= 421, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1871,1850,
&end
#
# 84 ASP HB+ 85 ILE HN 4.50 (# 424:10 Unique 3.88, 4.29 A)
&rst
ixpk= 424, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1359,1360,
&end
#
# 0 AMB 10-2:425 85 ILE HN 4.00 (# 425:10 Single 0.00, 0.00 )
&rst
ixpk= 425, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1386,1059,1355,
&end
#
# 63 VAL HA 85 ILE HN 3.00 (# 426:10 Unique 1.95, 2.11 A)
&rst
ixpk= 426, nxpk= 10, iat=1045,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 ASP HA 85 ILE HN 2.80 (# 428:10 Unique 2.18, 2.20 A)
&rst
ixpk= 428, nxpk= 10, iat=1357,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 ILE HA 85 ILE HN 3.50 (# 430:10 Unique 2.87, 2.89 A)
&rst
ixpk= 430, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ASP HB- 85 ILE HN 4.00 (# 431:10 Unique 3.88, 4.29 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1359,1360,
&end
#
# 0 AMB 10-2:432 85 ILE HN 5.00 (# 432:10 Single 0.00, 0.00 )
&rst
ixpk= 432, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1047, 737, 738, 739,
&end
#
# 85 ILE HB 85 ILE HN 4.00 (# 433:10 Unique 3.60, 3.63 A)
&rst
ixpk= 433, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ILE HG1- 85 ILE HN 3.00 (# 434:10 Unique 1.84, 2.37 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 85 ILE HG1+ 85 ILE HN 2.80 (# 435:10 Unique 1.84, 2.37 A)
&rst
ixpk= 435, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1377,1378,
&end
#
# 0 AMB 10-2:436 85 ILE HN 3.00 (# 436:10 Single 0.00, 0.00 )
&rst
ixpk= 436, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 10-2:437 0 AMB 10-1:437 5.60 (# 437:10 Double 0.00, 0.00 )
&rst
ixpk= 437, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 438, 626,1714,
igr2= 347, 672,
&end
#
# 23 GLU HN 22 ALA HN 5.60 (# 438:10 Unique 4.24, 4.35 A)
&rst
ixpk= 438, nxpk= 10, iat= 357, 347, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 ASP HN 22 ALA HN 4.10 (# 439:10 Unique 2.01, 2.23 A)
&rst
ixpk= 439, nxpk= 10, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 VAL HN 22 ALA HN 5.50 (# 440:10 Unique 4.58, 4.72 A)
&rst
ixpk= 440, nxpk= 10, iat= 319, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HA 22 ALA HN 4.60 (# 441:10 Unique 3.49, 3.51 A)
&rst
ixpk= 441, nxpk= 10, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:442 0 AMB 10-1:442 5.00 (# 442:10 Double 0.00, 0.00 )
&rst
ixpk= 442, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 640, 489, 490, 321,
igr2= 672, 347,
&end
#
# 21 ASP HB+ 22 ALA HN 4.40 (# 443:10 Unique 2.21, 3.32 A)
&rst
ixpk= 443, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 339, 340,
&end
#
# 22 ALA MB 22 ALA HN 3.60 (# 445:10 Unique 2.07, 2.88 A)
&rst
ixpk= 445, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 351, 352, 353,
&end
#
# 0 AMB 10-2:447 22 ALA HN 7.00 (# 447:10 Single 0.00, 0.00 )
&rst
ixpk= 447, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 36 LEU HA 36 LEU HN 3.50 (# 449:10 Unique 2.79, 2.82 A)
&rst
ixpk= 449, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 36 LEU HN 3.50 (# 450:10 Unique 2.41, 2.51 A)
&rst
ixpk= 450, nxpk= 10, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HE 36 LEU HN 5.00 (# 451:10 Unique 4.58, 6.44 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 570, 575,
&end
#
# 35 TYR HD 36 LEU HN 5.00 (# 452:10 Unique 3.14, 4.63 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 568, 577,
&end
#
# 35 TYR HA 36 LEU HN 4.00 (# 453:10 Unique 3.44, 3.47 A)
&rst
ixpk= 453, nxpk= 10, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 TYR HB+ 36 LEU HN 4.00 (# 454:10 Unique 2.68, 3.58 A)
&rst
ixpk= 454, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 564, 565,
&end
#
# 35 TYR HB- 36 LEU HN 4.00 (# 455:10 Unique 2.68, 3.58 A)
&rst
ixpk= 455, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 564, 565,
&end
#
# 0 AMB 10-2:456 36 LEU HN 5.00 (# 456:10 Single 0.00, 0.00 )
&rst
ixpk= 456, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 588, 604, 605,
&end
#
# 36 LEU HB- 36 LEU HN 3.00 (# 457:10 Unique 2.07, 2.54 A)
&rst
ixpk= 457, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 585, 586,
&end
#
# 36 LEU HB+ 36 LEU HN 3.00 (# 458:10 Unique 2.07, 2.54 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 585, 586,
&end
#
# 36 LEU MDY 36 LEU HN 4.50 (# 459:10 Unique 3.28, 5.03 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 10-2:461 0 AMB 10-1:461 5.00 (# 461:10 Double 0.00, 0.00 )
&rst
ixpk= 461, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1789,1790,1791, 231, 232, 233,
igr2=1850,1871,
&end
#
# 121 ALA MB 0 AMB 10-1:462 5.00 (# 462:10 Single 0.00, 0.00 )
&rst
ixpk= 462, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1918,1919,1920,
igr2=1850,1871,
&end
#
# 63 VAL MGX 85 ILE HN 5.50 (# 467:10 Unique 2.80, 4.96 A)
&rst
ixpk= 467, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 42 PHE HD 42 PHE HN 3.00 (# 469:10 Unique 2.81, 4.02 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 680, 688,
&end
#
# 43 PRO HA 42 PHE HN 5.00 (# 471:10 Unique 4.51, 4.64 A)
&rst
ixpk= 471, nxpk= 10, iat= 702, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 PHE HA 42 PHE HN 3.00 (# 472:10 Unique 2.55, 2.64 A)
&rst
ixpk= 472, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:473 0 AMB 10-1:473 3.80 (# 473:10 Double 0.00, 0.00 )
&rst
ixpk= 473, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 349, 659,
igr2= 347, 672,
&end
#
# 42 PHE HB+ 42 PHE HN 3.80 (# 475:10 Unique 2.15, 2.86 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 676, 677,
&end
#
# 0 AMB 10-2:476 0 AMB 10-1:476 5.40 (# 476:10 Double 0.00, 0.00 )
&rst
ixpk= 476, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 364, 365, 604, 605, 428, 429,
igr2= 347, 672,
&end
#
# 0 AMB 10-2:477 0 AMB 10-1:477 4.20 (# 477:10 Double 0.00, 0.00 )
&rst
ixpk= 477, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 664, 665, 425, 426,
igr2= 672, 347,
&end
#
# 0 AMB 10-2:478 0 AMB 10-1:478 5.00 (# 478:10 Double 0.00, 0.00 )
&rst
ixpk= 478, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 323, 661, 662,
igr2= 347, 672,
&end
#
# 41 GLU HB- 42 PHE HN 4.80 (# 479:10 Unique 4.05, 4.42 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 661, 662,
&end
#
# 22 ALA HN 23 GLU HN 5.60 (# 482:10 Unique 4.24, 4.35 A)
&rst
ixpk= 482, nxpk= 10, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 22 ALA HA 23 GLU HN 3.40 (# 484:10 Unique 2.15, 2.17 A)
&rst
ixpk= 484, nxpk= 10, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 0 AMB 10-2:485 23 GLU HN 4.60 (# 485:10 Single 0.00, 0.00 )
&rst
ixpk= 485, nxpk= 10, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 364, 365, 428, 429,
&end
#
# 0 AMB 10-2:486 23 GLU HN 4.40 (# 486:10 Single 0.00, 0.00 )
&rst
ixpk= 486, nxpk= 10, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 361, 362, 425, 426,
&end
#
# 23 GLU HB- 23 GLU HN 4.40 (# 487:10 Unique 2.59, 3.25 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 361, 362,
&end
#
# 22 ALA MB 23 GLU HN 4.60 (# 488:10 Unique 3.74, 4.19 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 351, 352, 353,
&end
#
# 24 ASP HN 23 GLU HN 3.40 (# 489:10 Unique 1.81, 1.85 A)
&rst
ixpk= 489, nxpk= 10, iat= 372, 357, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 23 GLU HA 23 GLU HN 4.10 (# 490:10 Unique 2.94, 2.95 A)
&rst
ixpk= 490, nxpk= 10, iat= 359, 357, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 5 GLU HA 6 ARG HN 4.00 (# 491:10 Unique 2.69, 2.72 A)
&rst
ixpk= 491, nxpk= 10, iat= 60, 73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 ARG HD+ 6 ARG HN 4.80 (# 492:10 Unique 1.84, 3.39 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 83, 84,
&end
#
# 6 ARG HD- 6 ARG HN 4.40 (# 493:10 Unique 1.84, 3.39 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 83, 84,
&end
#
# 5 GLU HG+ 6 ARG HN 5.30 (# 494:10 Unique 2.45, 3.26 A)
&rst
ixpk= 494, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 65, 66,
&end
#
# 6 ARG HB+ 6 ARG HN 4.00 (# 495:10 Unique 2.38, 3.35 A)
&rst
ixpk= 495, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 77, 78,
&end
#
# 6 ARG HG+ 6 ARG HN 4.00 (# 496:10 Unique 1.83, 3.25 A)
&rst
ixpk= 496, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 80, 81,
&end
#
# 96 LYS HA 99 ASP HN 4.60 (# 500:10 Unique 3.15, 3.37 A)
&rst
ixpk= 500, nxpk= 10, iat=1521,1571, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 PHE HB- 42 PHE HN 3.00 (# 501:10 Unique 2.15, 2.86 A)
&rst
ixpk= 501, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 676, 677,
&end
#
# 0 AMB 10-2:504 32 TRP HN 5.00 (# 504:10 Single 0.00, 0.00 )
&rst
ixpk= 504, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 539, 581,
&end
#
# 33 TYR HN 32 TRP HN 3.50 (# 505:10 Unique 2.85, 2.99 A)
&rst
ixpk= 505, nxpk= 10, iat= 518, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLY HN 32 TRP HN 3.50 (# 506:10 Unique 2.81, 2.88 A)
&rst
ixpk= 506, nxpk= 10, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:508 32 TRP HN 5.50 (# 508:10 Single 0.00, 0.00 )
&rst
ixpk= 508, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 460, 507,
&end
#
# 0 AMB 10-2:510 32 TRP HN 3.00 (# 510:10 Single 0.00, 0.00 )
&rst
ixpk= 510, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 489, 490, 496,
&end
#
# 31 GLY HA- 32 TRP HN 3.50 (# 511:10 Unique 2.52, 3.09 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 489, 490,
&end
#
# 32 TRP HB+ 32 TRP HN 3.00 (# 512:10 Unique 2.19, 2.91 A)
&rst
ixpk= 512, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 498, 499,
&end
#
# 32 TRP HB- 32 TRP HN 3.60 (# 513:10 Unique 2.19, 2.91 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 498, 499,
&end
#
# 0 AMB 10-2:514 32 TRP HN 4.00 (# 514:10 Single 0.00, 0.00 )
&rst
ixpk= 514, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 462, 522, 523,
&end
#
# 78 MET ME 32 TRP HN 5.00 (# 515:10 Unique 3.53, 5.21 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1271,1272,1273,
&end
#
# 30 MET ME 32 TRP HN 6.00 (# 516:10 Unique 5.74, 6.99 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 481, 482, 483,
&end
#
# 22 ALA MB 32 TRP HN 6.60 (# 517:10 Unique 4.04, 5.25 A)
&rst
ixpk= 517, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 351, 352, 353,
&end
#
# 18 ILE QG2 32 TRP HN 4.90 (# 518:10 Unique 3.07, 3.92 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 287, 288, 289,
&end
#
# 6 ARG HA 6 ARG HN 3.50 (# 520:10 Unique 2.91, 2.94 A)
&rst
ixpk= 520, nxpk= 10, iat= 75, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLU HB+ 6 ARG HN 4.00 (# 522:10 Unique 1.85, 2.71 A)
&rst
ixpk= 522, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 62, 63,
&end
#
# 5 GLU HB- 6 ARG HN 4.50 (# 523:10 Unique 1.85, 2.71 A)
&rst
ixpk= 523, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 62, 63,
&end
#
# 96 LYS HN 99 ASP HN 4.30 (# 525:10 Unique 3.61, 3.73 A)
&rst
ixpk= 525, nxpk= 10, iat=1519,1571, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 99 ASP HA 99 ASP HN 3.00 (# 526:10 Unique 2.81, 2.84 A)
&rst
ixpk= 526, nxpk= 10, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ASP HB+ 99 ASP HN 3.00 (# 527:10 Unique 3.00, 3.29 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1575,1576,
&end
#
# 0 AMB 10-2:528 99 ASP HN 4.40 (# 528:10 Single 0.00, 0.00 )
&rst
ixpk= 528, nxpk= 10, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1840,1841,1842,1844,1845,1846,1545,1546,1550,1551,
1552,1554,1555,1556,
&end
#
# 0 AMB 10-2:530 99 ASP HN 5.00 (# 530:10 Single 0.00, 0.00 )
&rst
ixpk= 530, nxpk= 10, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1513,1514,1515,1596,1597,1598,
&end
#
# 32 TRP HD1 32 TRP HN 3.00 (# 531:10 Unique 2.23, 2.57 A)
&rst
ixpk= 531, nxpk= 10, iat= 502, 494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 ALA MB 32 TRP HN 6.00 (# 532:10 Unique 5.63, 6.05 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 464, 465, 466,
&end
#
# 82 VAL HA 83 ALA HN 2.80 (# 533:10 Unique 2.26, 2.42 A)
&rst
ixpk= 533, nxpk= 10, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 VAL HA 0 AMB 10-1:534 5.00 (# 534:10 Single 0.00, 0.00 )
&rst
ixpk= 534, nxpk= 10, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1345,1029,
&end
#
# 62 THR HA 62 THR HN 3.00 (# 535:10 Unique 2.80, 2.82 A)
&rst
ixpk= 535, nxpk= 10, iat=1031,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:536 83 ALA HN 6.00 (# 536:10 Single 0.00, 0.00 )
&rst
ixpk= 536, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1316,1476,
&end
#
# 62 THR HB 62 THR HN 3.00 (# 539:10 Unique 2.68, 2.79 A)
&rst
ixpk= 539, nxpk= 10, iat=1033,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 VAL HB 83 ALA HN 4.00 (# 542:10 Unique 2.57, 2.90 A)
&rst
ixpk= 542, nxpk= 10, iat=1047,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:543 0 AMB 10-1:543 4.00 (# 543:10 Double 0.00, 0.00 )
&rst
ixpk= 543, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1063,1064,1011,1012,
igr2=1345,1029,
&end
#
# 0 AMB 10-2:544 0 AMB 10-1:544 5.00 (# 544:10 Double 0.00, 0.00 )
&rst
ixpk= 544, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1011,1012,1462,1529,1530,
igr2=1029,1345,
&end
#
# 82 VAL HB 83 ALA HN 4.30 (# 545:10 Unique 2.03, 3.19 A)
&rst
ixpk= 545, nxpk= 10, iat=1333,1345, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:546 62 THR HN 4.00 (# 546:10 Single 0.00, 0.00 )
&rst
ixpk= 546, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 760, 761,1017,1018,
&end
#
# 0 AMB 10-2:547 0 AMB 10-1:547 3.00 (# 547:10 Double 0.00, 0.00 )
&rst
ixpk= 547, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1349,1350,1351,1014,1015,
igr2=1345,1029,
&end
#
# 0 AMB 10-2:548 0 AMB 10-1:548 4.00 (# 548:10 Double 0.00, 0.00 )
&rst
ixpk= 548, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1035,1036,1037,1377,1378,1377,1378,
igr2=1029,1345,
&end
#
# 0 AMB 10-2:549 83 ALA HN 5.00 (# 549:10 Single 0.00, 0.00 )
&rst
ixpk= 549, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 82 VAL MGY 83 ALA HN 3.40 (# 550:10 Unique 1.96, 3.79 A)
&rst
ixpk= 550, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 100 ILE QD1 83 ALA HN 6.00 (# 551:10 Unique 5.98, 7.41 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1596,1597,1598,
&end
#
# 82 VAL MGX 83 ALA HN 4.00 (# 552:10 Unique 1.96, 3.79 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 22 ALA HN 21 ASP HN 4.10 (# 553:10 Unique 2.01, 2.23 A)
&rst
ixpk= 553, nxpk= 10, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 21 ASP HA 21 ASP HN 3.00 (# 554:10 Unique 2.76, 2.91 A)
&rst
ixpk= 554, nxpk= 10, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 VAL HA 21 ASP HN 4.50 (# 555:10 Unique 3.46, 3.53 A)
&rst
ixpk= 555, nxpk= 10, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ASP HB+ 21 ASP HN 3.50 (# 556:10 Unique 2.35, 2.76 A)
&rst
ixpk= 556, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 339, 340,
&end
#
# 20 VAL HB 21 ASP HN 3.70 (# 557:10 Unique 1.80, 1.87 A)
&rst
ixpk= 557, nxpk= 10, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 0 AMB 10-2:558 21 ASP HN 5.20 (# 558:10 Single 0.00, 0.00 )
&rst
ixpk= 558, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 27 GLU HN 26 GLU HN 3.00 (# 561:10 Unique 2.46, 2.53 A)
&rst
ixpk= 561, nxpk= 10, iat= 421, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 GLU HA 26 GLU HN 3.00 (# 563:10 Unique 2.87, 2.91 A)
&rst
ixpk= 563, nxpk= 10, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 LYS HE+ 26 GLU HN 4.00 (# 564:10 Unique 2.04, 3.48 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 397, 398,
&end
#
# 24 ASP HB+ 26 GLU HN 3.50 (# 565:10 Unique 2.11, 3.06 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 376, 377,
&end
#
# 27 GLU HG- 26 GLU HN 4.00 (# 566:10 Unique 3.81, 4.72 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 428, 429,
&end
#
# 26 GLU HG+ 26 GLU HN 3.00 (# 567:10 Unique 2.47, 3.13 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 413, 414,
&end
#
# 25 LYS HB+ 26 GLU HN 4.00 (# 568:10 Unique 3.61, 3.93 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 388, 389,
&end
#
# 0 AMB 10-2:569 26 GLU HN 3.50 (# 569:10 Single 0.00, 0.00 )
&rst
ixpk= 569, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 391, 392, 394, 395,
&end
#
# 0 AMB 10-2:570 10 ARG HN 5.00 (# 570:10 Single 0.00, 0.00 )
&rst
ixpk= 570, nxpk= 10, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 148, 149, 181, 182,
&end
#
# 20 VAL HN 21 ASP HN 5.00 (# 574:10 Unique 3.90, 4.00 A)
&rst
ixpk= 574, nxpk= 10, iat= 319, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ASP HB- 21 ASP HN 3.20 (# 575:10 Unique 2.35, 2.76 A)
&rst
ixpk= 575, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 339, 340,
&end
#
# 24 ASP HA 26 GLU HN 5.00 (# 578:10 Unique 3.94, 4.16 A)
&rst
ixpk= 578, nxpk= 10, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LYS HA 26 GLU HN 4.00 (# 579:10 Unique 3.42, 3.49 A)
&rst
ixpk= 579, nxpk= 10, iat= 386, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ASP HB- 26 GLU HN 3.50 (# 580:10 Unique 2.11, 3.06 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 376, 377,
&end
#
# 26 GLU HB+ 26 GLU HN 3.00 (# 581:10 Unique 2.32, 3.02 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 410, 411,
&end
#
# 25 LYS HG- 26 GLU HN 3.50 (# 582:10 Unique 1.90, 2.98 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 0 AMB 10-2:583 26 GLU HN 5.00 (# 583:10 Single 0.00, 0.00 )
&rst
ixpk= 583, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
&end
#
# 0 AMB 10-2:584 35 TYR HN 3.00 (# 584:10 Single 0.00, 0.00 )
&rst
ixpk= 584, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 581, 539,
&end
#
# 114 ALA MB 112 ALA HN 5.00 (# 588:10 Unique 5.04, 6.24 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1789,1790,1791,
&end
#
# 0 AMB 10-2:591 112 ALA HN 4.00 (# 591:10 Single 0.00, 0.00 )
&rst
ixpk= 591, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1726,1799,1800,1768,
&end
#
# 109 THR HA 112 ALA HN 4.50 (# 592:10 Unique 3.79, 3.89 A)
&rst
ixpk= 592, nxpk= 10, iat=1712,1756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:593 112 ALA HN 5.00 (# 593:10 Single 0.00, 0.00 )
&rst
ixpk= 593, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 647, 648, 649, 651, 652, 653,1770,
&end
#
# 11 GLU HN 10 ARG HN 3.00 (# 595:10 Unique 2.42, 2.49 A)
&rst
ixpk= 595, nxpk= 10, iat= 162, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 THR HN 10 ARG HN 3.00 (# 596:10 Unique 2.58, 2.61 A)
&rst
ixpk= 596, nxpk= 10, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 THR HB 10 ARG HN 4.00 (# 599:10 Unique 4.06, 4.12 A)
&rst
ixpk= 599, nxpk= 10, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 THR HA 10 ARG HN 4.00 (# 600:10 Unique 3.24, 3.30 A)
&rst
ixpk= 600, nxpk= 10, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 ARG HA 10 ARG HN 3.50 (# 601:10 Unique 2.94, 2.94 A)
&rst
ixpk= 601, nxpk= 10, iat= 140, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ARG HG+ 10 ARG HN 4.00 (# 604:10 Unique 4.04, 4.56 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 145, 146,
&end
#
# 9 THR MG2 10 ARG HN 4.00 (# 605:10 Unique 2.45, 3.79 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 130, 131, 132,
&end
#
# 10 ARG HB- 10 ARG HN 3.50 (# 606:10 Unique 2.31, 2.79 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 142, 143,
&end
#
# 25 LYS HA 28 ARG HN 5.00 (# 609:10 Unique 3.99, 4.25 A)
&rst
ixpk= 609, nxpk= 10, iat= 386, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ARG HA 28 ARG HN 3.50 (# 611:10 Unique 2.75, 2.77 A)
&rst
ixpk= 611, nxpk= 10, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:612 28 ARG HN 6.50 (# 612:10 Single 0.00, 0.00 )
&rst
ixpk= 612, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 397, 398, 498, 499,
&end
#
# 27 GLU HG- 0 AMB 10-1:613 5.00 (# 613:10 Single 0.00, 0.00 )
&rst
ixpk= 613, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 428, 429,
igr2= 406, 436,
&end
#
# 34 TYR HD 35 TYR HN 5.00 (# 616:10 Unique 4.62, 4.96 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 547, 556,
&end
#
# 35 TYR HD 35 TYR HN 4.00 (# 617:10 Unique 1.72, 3.57 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 568, 577,
&end
#
# 35 TYR HA 35 TYR HN 3.50 (# 619:10 Unique 2.80, 2.85 A)
&rst
ixpk= 619, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 TRP HA 35 TYR HN 4.50 (# 620:10 Unique 3.82, 3.95 A)
&rst
ixpk= 620, nxpk= 10, iat= 496, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 TYR HB+ 35 TYR HN 3.50 (# 621:10 Unique 2.40, 2.75 A)
&rst
ixpk= 621, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 543, 544,
&end
#
# 35 TYR HB+ 35 TYR HN 3.60 (# 622:10 Unique 2.12, 3.00 A)
&rst
ixpk= 622, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 564, 565,
&end
#
# 0 AMB 10-2:623 35 TYR HN 3.00 (# 623:10 Single 0.00, 0.00 )
&rst
ixpk= 623, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 564, 565, 543, 544,
&end
#
# 18 ILE QG2 35 TYR HN 4.40 (# 624:10 Unique 4.30, 5.28 A)
&rst
ixpk= 624, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 287, 288, 289,
&end
#
# 0 AMB 10-2:626 35 TYR HN 6.00 (# 626:10 Single 0.00, 0.00 )
&rst
ixpk= 626, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 604, 605, 588,
&end
#
# 111 GLU HN 112 ALA HN 3.50 (# 627:10 Unique 2.87, 3.00 A)
&rst
ixpk= 627, nxpk= 10, iat=1741,1756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ALA HA 112 ALA HN 4.00 (# 628:10 Unique 2.75, 2.77 A)
&rst
ixpk= 628, nxpk= 10, iat=1758,1756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:629 112 ALA HN 4.00 (# 629:10 Single 0.00, 0.00 )
&rst
ixpk= 629, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1743,1700,
&end
#
# 0 AMB 10-2:630 112 ALA HN 4.40 (# 630:10 Single 0.00, 0.00 )
&rst
ixpk= 630, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1748,1749,1731,1732,
&end
#
# 111 GLU HB+ 112 ALA HN 3.00 (# 631:10 Unique 2.40, 2.91 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1745,1746,
&end
#
# 112 ALA MB 112 ALA HN 3.00 (# 632:10 Unique 2.06, 2.88 A)
&rst
ixpk= 632, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1760,1761,1762,
&end
#
# 39 THR MG2 112 ALA HN 4.00 (# 634:10 Unique 3.65, 4.41 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 630, 631, 632,
&end
#
# 0 AMB 10-2:635 112 ALA HN 4.50 (# 635:10 Single 0.00, 0.00 )
&rst
ixpk= 635, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 647, 648, 649, 651, 652, 653,1776,1777,
&end
#
# 113 ILE QD1 112 ALA HN 5.00 (# 636:10 Unique 4.38, 5.63 A)
&rst
ixpk= 636, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1779,1780,1781,
&end
#
# 63 VAL HA 64 GLU HN 3.00 (# 638:10 Unique 2.33, 2.47 A)
&rst
ixpk= 638, nxpk= 10, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 VAL HB 64 GLU HN 3.00 (# 639:10 Unique 2.05, 2.30 A)
&rst
ixpk= 639, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 GLU HB+ 64 GLU HN 3.00 (# 640:10 Unique 2.51, 2.89 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1063,1064,
&end
#
# 63 VAL MGX 64 GLU HN 4.00 (# 641:10 Unique 2.69, 4.25 A)
&rst
ixpk= 641, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL MGX 64 GLU HN 5.00 (# 642:10 Unique 2.06, 4.26 A)
&rst
ixpk= 642, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 64 GLU HB- 64 GLU HN 3.00 (# 643:10 Unique 2.51, 2.89 A)
&rst
ixpk= 643, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1063,1064,
&end
#
# 0 AMB 10-2:644 64 GLU HN 3.00 (# 644:10 Single 0.00, 0.00 )
&rst
ixpk= 644, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
&end
#
# 29 ALA HN 28 ARG HN 3.50 (# 646:10 Unique 2.84, 2.95 A)
&rst
ixpk= 646, nxpk= 10, iat= 460, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:647 28 ARG HN 5.50 (# 647:10 Single 0.00, 0.00 )
&rst
ixpk= 647, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 481, 482, 483, 391, 392,
&end
#
# 22 ALA MB 28 ARG HN 4.60 (# 648:10 Unique 3.32, 4.30 A)
&rst
ixpk= 648, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 351, 352, 353,
&end
#
# 115 ASP HN 114 ALA HN 3.50 (# 649:10 Unique 2.71, 2.93 A)
&rst
ixpk= 649, nxpk= 10, iat=1795,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ILE HN 114 ALA HN 3.50 (# 650:10 Unique 2.92, 2.99 A)
&rst
ixpk= 650, nxpk= 10, iat=1766,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ALA HA 114 ALA HN 5.00 (# 651:10 Unique 4.82, 4.91 A)
&rst
ixpk= 651, nxpk= 10, iat=1758,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 GLU HA 114 ALA HN 4.00 (# 652:10 Unique 3.85, 3.91 A)
&rst
ixpk= 652, nxpk= 10, iat=1743,1785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 ALA HA 114 ALA HN 3.50 (# 653:10 Unique 2.74, 2.77 A)
&rst
ixpk= 653, nxpk= 10, iat=1787,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:654 114 ALA HN 4.00 (# 654:10 Single 0.00, 0.00 )
&rst
ixpk= 654, nxpk= 10, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1768,1726,1799,1800,
&end
#
# 0 AMB 10-2:656 0 AMB 10-1:656 3.00 (# 656:10 Double 0.00, 0.00 )
&rst
ixpk= 656, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1789,1790,1791,1318,1319,
igr2=1785,1314,
&end
#
# 0 AMB 10-2:658 0 AMB 10-1:658 3.30 (# 658:10 Double 0.00, 0.00 )
&rst
ixpk= 658, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1772,1773,1774,1501,1502,1503,
igr2=1785,1314,
&end
#
# 84 ASP HN 91 ASP HN 5.00 (# 660:10 Unique 4.04, 4.41 A)
&rst
ixpk= 660, nxpk= 10, iat=1355,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 ASP HN 91 ASP HN 2.80 (# 661:10 Unique 1.86, 2.33 A)
&rst
ixpk= 661, nxpk= 10, iat=1434,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 TYR HE 91 ASP HN 5.50 (# 662:10 Unique 5.08, 6.51 A)
&rst
ixpk= 662, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1489,
&end
#
# 0 AMB 10-2:664 91 ASP HN 3.00 (# 664:10 Single 0.00, 0.00 )
&rst
ixpk= 664, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1448,1436,
&end
#
# 84 ASP HB+ 91 ASP HN 5.00 (# 666:10 Unique 3.54, 5.00 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1359,1360,
&end
#
# 91 ASP HB+ 91 ASP HN 3.00 (# 667:10 Unique 2.20, 2.94 A)
&rst
ixpk= 667, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1450,1451,
&end
#
# 88 LYS HB+ 91 ASP HN 4.00 (# 668:10 Unique 2.15, 2.90 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 88 LYS HB- 91 ASP HN 3.50 (# 669:10 Unique 2.15, 2.90 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1404,1405,
&end
#
# 0 AMB 10-2:670 91 ASP HN 5.00 (# 670:10 Single 0.00, 0.00 )
&rst
ixpk= 670, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1407,1408,1349,1350,1351,
&end
#
# 0 AMB 10-2:671 91 ASP HN 4.40 (# 671:10 Single 0.00, 0.00 )
&rst
ixpk= 671, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 48 TRP HD1 100 ILE HN 6.00 (# 672:10 Unique 5.20, 5.44 A)
&rst
ixpk= 672, nxpk= 10, iat= 780,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 ARG HN 29 ALA HN 3.50 (# 673:10 Unique 2.84, 2.95 A)
&rst
ixpk= 673, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 MET HN 29 ALA HN 3.00 (# 674:10 Unique 2.63, 2.69 A)
&rst
ixpk= 674, nxpk= 10, iat= 470, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 ARG HA 29 ALA HN 4.00 (# 675:10 Unique 3.56, 3.57 A)
&rst
ixpk= 675, nxpk= 10, iat= 438, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:676 29 ALA HN 6.00 (# 676:10 Single 0.00, 0.00 )
&rst
ixpk= 676, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2002,2003, 522, 523,
&end
#
# 30 MET ME 29 ALA HN 4.80 (# 677:10 Unique 3.94, 4.77 A)
&rst
ixpk= 677, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 481, 482, 483,
&end
#
# 25 LYS HA 29 ALA HN 5.00 (# 680:10 Unique 4.77, 5.01 A)
&rst
ixpk= 680, nxpk= 10, iat= 386, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:681 29 ALA HN 4.00 (# 681:10 Single 0.00, 0.00 )
&rst
ixpk= 681, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 408, 423,
&end
#
# 29 ALA HA 29 ALA HN 3.50 (# 683:10 Unique 2.76, 2.79 A)
&rst
ixpk= 683, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 MET HG- 29 ALA HN 5.50 (# 685:10 Unique 3.97, 4.93 A)
&rst
ixpk= 685, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 0 AMB 10-2:686 29 ALA HN 5.40 (# 686:10 Single 0.00, 0.00 )
&rst
ixpk= 686, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1211,1212, 391, 392,1236,1237,
&end
#
# 29 ALA MB 29 ALA HN 3.00 (# 687:10 Unique 2.07, 2.88 A)
&rst
ixpk= 687, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 464, 465, 466,
&end
#
# 75 LEU MDX 29 ALA HN 5.00 (# 688:10 Unique 4.84, 7.26 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 85 ILE HN 0 AMB 10-1:689 4.50 (# 689:10 Single 0.00, 0.00 )
&rst
ixpk= 689, nxpk= 10, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1059,1355,
&end
#
# 0 AMB 10-2:692 0 AMB 10-1:692 5.00 (# 692:10 Double 0.00, 0.00 )
&rst
ixpk= 692, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1779,1780,1781,1099,1100,1101,1103,1104,1105,
igr2=1785,1314,
&end
#
# 67 GLY HN 81 GLU HN 4.00 (# 694:10 Unique 3.18, 3.65 A)
&rst
ixpk= 694, nxpk= 10, iat=1109,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 VAL HA 81 GLU HN 2.80 (# 695:10 Unique 2.19, 2.27 A)
&rst
ixpk= 695, nxpk= 10, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 MET HA 81 GLU HN 3.50 (# 696:10 Unique 1.91, 2.88 A)
&rst
ixpk= 696, nxpk= 10, iat=1118,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:697 114 ALA HN 5.00 (# 697:10 Single 0.00, 0.00 )
&rst
ixpk= 697, nxpk= 10, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1731,1732,1748,1749,
&end
#
# 80 VAL HB 81 GLU HN 3.50 (# 698:10 Unique 2.46, 2.87 A)
&rst
ixpk= 698, nxpk= 10, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ILE HB 114 ALA HN 2.80 (# 699:10 Unique 2.24, 2.29 A)
&rst
ixpk= 699, nxpk= 10, iat=1770,1785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 ALA MB 114 ALA HN 5.00 (# 700:10 Unique 4.97, 5.68 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 0 AMB 10-2:701 0 AMB 10-1:701 5.00 (# 701:10 Double 0.00, 0.00 )
&rst
ixpk= 701, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1111,1112,1621,1622,1623,
igr2=1314,1785,
&end
#
# 0 AMB 10-2:702 0 AMB 10-1:702 3.80 (# 702:10 Double 0.00, 0.00 )
&rst
ixpk= 702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1304,1305,1306,1308,1309,1310,1840,1841,1842,1844,
1845,1846,
igr2=1314,1785,
&end
#
# 0 AMB 10-2:703 81 GLU HN 5.00 (# 703:10 Single 0.00, 0.00 )
&rst
ixpk= 703, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 80 VAL MGX 81 GLU HN 4.00 (# 704:10 Unique 2.89, 4.55 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 101 GLU HN 100 ILE HN 5.00 (# 705:10 Unique 4.39, 4.41 A)
&rst
ixpk= 705, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TRP HA 100 ILE HN 5.00 (# 706:10 Unique 4.45, 4.50 A)
&rst
ixpk= 706, nxpk= 10, iat= 774,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP HA 100 ILE HN 3.00 (# 707:10 Unique 2.43, 2.46 A)
&rst
ixpk= 707, nxpk= 10, iat=1573,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 SER HA 100 ILE HN 5.00 (# 709:10 Unique 5.21, 5.31 A)
&rst
ixpk= 709, nxpk= 10, iat=1562,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 LEU HA 100 ILE HN 4.00 (# 710:10 Unique 3.85, 4.02 A)
&rst
ixpk= 710, nxpk= 10, iat=1543,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ASP HB+ 100 ILE HN 5.00 (# 711:10 Unique 4.26, 4.50 A)
&rst
ixpk= 711, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1575,1576,
&end
#
# 99 ASP HB- 100 ILE HN 4.80 (# 712:10 Unique 4.26, 4.50 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1575,1576,
&end
#
# 100 ILE HB 100 ILE HN 3.00 (# 713:10 Unique 2.78, 2.92 A)
&rst
ixpk= 713, nxpk= 10, iat=1587,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HG1- 100 ILE HN 5.00 (# 715:10 Unique 4.46, 4.71 A)
&rst
ixpk= 715, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1593,1594,
&end
#
# 100 ILE HG1+ 100 ILE HN 5.00 (# 716:10 Unique 4.46, 4.71 A)
&rst
ixpk= 716, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1593,1594,
&end
#
# 117 LEU MDX 100 ILE HN 4.00 (# 717:10 Unique 2.32, 4.00 A)
&rst
ixpk= 717, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 100 ILE QG2 100 ILE HN 4.00 (# 718:10 Unique 2.62, 3.79 A)
&rst
ixpk= 718, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1589,1590,1591,
&end
#
# 100 ILE QD1 100 ILE HN 5.00 (# 720:10 Unique 4.14, 5.64 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1596,1597,1598,
&end
#
# 22 ALA MB 29 ALA HN 5.60 (# 721:10 Unique 4.96, 5.87 A)
&rst
ixpk= 721, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 351, 352, 353,
&end
#
# 93 TYR HD 84 ASP HN 5.00 (# 723:10 Unique 3.74, 5.44 A)
&rst
ixpk= 723, nxpk= 10, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1482,1491,
&end
#
# 93 TYR HE 84 ASP HN 4.00 (# 724:10 Unique 2.46, 4.50 A)
&rst
ixpk= 724, nxpk= 10, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1484,1489,
&end
#
# 83 ALA HA 84 ASP HN 2.80 (# 725:10 Unique 2.15, 2.17 A)
&rst
ixpk= 725, nxpk= 10, iat=1347,1355, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ASP HA 84 ASP HN 3.00 (# 726:10 Unique 2.78, 2.80 A)
&rst
ixpk= 726, nxpk= 10, iat=1357,1355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 VAL HA 84 ASP HN 4.00 (# 727:10 Unique 3.06, 3.30 A)
&rst
ixpk= 727, nxpk= 10, iat=1460,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 ASP HB+ 84 ASP HN 3.00 (# 728:10 Unique 2.30, 2.88 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1359,1360,
&end
#
# 84 ASP HB- 84 ASP HN 3.80 (# 729:10 Unique 2.30, 2.88 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1359,1360,
&end
#
# 83 ALA MB 0 AMB 10-1:731 3.00 (# 731:10 Single 0.00, 0.00 )
&rst
ixpk= 731, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1349,1350,1351,
igr2=1355,1059,
&end
#
# 0 AMB 10-2:732 84 ASP HN 4.50 (# 732:10 Single 0.00, 0.00 )
&rst
ixpk= 732, nxpk= 10, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 88 LYS HA 88 LYS HN 3.50 (# 736:10 Unique 2.93, 2.94 A)
&rst
ixpk= 736, nxpk= 10, iat=1402,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 GLY HA- 88 LYS HN 3.50 (# 737:10 Unique 2.28, 2.97 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1395,1396,
&end
#
# 87 GLY HA+ 88 LYS HN 3.50 (# 738:10 Unique 2.28, 2.97 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1395,1396,
&end
#
# 88 LYS HB+ 88 LYS HN 4.00 (# 739:10 Unique 2.76, 3.30 A)
&rst
ixpk= 739, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 88 LYS HB- 88 LYS HN 4.00 (# 740:10 Unique 2.76, 3.30 A)
&rst
ixpk= 740, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 88 LYS HG+ 88 LYS HN 3.50 (# 741:10 Unique 1.94, 2.90 A)
&rst
ixpk= 741, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1407,1408,
&end
#
# 0 AMB 10-2:745 45 MET HN 5.50 (# 745:10 Single 0.00, 0.00 )
&rst
ixpk= 745, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1078,1640,1641,1642,
&end
#
# 105 VAL MGY 45 MET HN 4.40 (# 746:10 Unique 4.19, 6.36 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 15 GLU HN 14 ILE HN 3.50 (# 747:10 Unique 2.87, 2.89 A)
&rst
ixpk= 747, nxpk= 10, iat= 237, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ARG HN 14 ILE HN 3.80 (# 749:10 Unique 3.26, 3.28 A)
&rst
ixpk= 749, nxpk= 10, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 GLU HA 14 ILE HN 5.00 (# 750:10 Unique 4.74, 5.00 A)
&rst
ixpk= 750, nxpk= 10, iat= 164, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 14 ILE HN 4.00 (# 751:10 Unique 3.55, 3.56 A)
&rst
ixpk= 751, nxpk= 10, iat= 196, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HA 14 ILE HN 3.50 (# 752:10 Unique 2.69, 2.70 A)
&rst
ixpk= 752, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ILE HB 14 ILE HN 2.80 (# 753:10 Unique 2.12, 2.21 A)
&rst
ixpk= 753, nxpk= 10, iat= 222, 218, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 GLU HB- 14 ILE HN 5.00 (# 754:10 Unique 4.79, 5.34 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242,
&end
#
# 13 ARG HB- 14 ILE HN 3.00 (# 755:10 Unique 1.83, 2.50 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 198, 199,
&end
#
# 13 ARG HB+ 14 ILE HN 3.00 (# 756:10 Unique 1.83, 2.50 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 198, 199,
&end
#
# 14 ILE QD1 14 ILE HN 5.00 (# 757:10 Unique 3.66, 5.08 A)
&rst
ixpk= 757, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 231, 232, 233,
&end
#
# 14 ILE QG2 14 ILE HN 4.00 (# 759:10 Unique 3.14, 4.10 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 224, 225, 226,
&end
#
# 18 ILE QD1 14 ILE HN 5.40 (# 760:10 Unique 4.84, 6.17 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 294, 295, 296,
&end
#
# 33 TYR HD 33 TYR HN 5.00 (# 762:10 Unique 4.56, 4.70 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 526, 535,
&end
#
# 78 MET ME 33 TYR HN 3.80 (# 764:10 Unique 1.86, 3.27 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1271,1272,1273,
&end
#
# 0 AMB 10-2:765 33 TYR HN 5.20 (# 765:10 Single 0.00, 0.00 )
&rst
ixpk= 765, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1267,1268, 464, 465, 466,
&end
#
# 87 GLY HN 88 LYS HN 3.50 (# 766:10 Unique 2.71, 2.90 A)
&rst
ixpk= 766, nxpk= 10, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HN 40 LEU HN 3.00 (# 771:10 Unique 2.24, 2.58 A)
&rst
ixpk= 771, nxpk= 10, iat= 624, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 ASP HA 40 LEU HN 5.50 (# 774:10 Unique 4.41, 4.89 A)
&rst
ixpk= 774, nxpk= 10, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 THR HA 40 LEU HN 4.00 (# 775:10 Unique 3.48, 3.55 A)
&rst
ixpk= 775, nxpk= 10, iat= 626, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:776 40 LEU HN 3.50 (# 776:10 Single 0.00, 0.00 )
&rst
ixpk= 776, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 640, 583,
&end
#
# 39 THR HB 40 LEU HN 3.00 (# 777:10 Unique 2.05, 2.51 A)
&rst
ixpk= 777, nxpk= 10, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 LEU MDX 40 LEU HN 4.00 (# 778:10 Unique 2.04, 3.86 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB+ 40 LEU HN 3.00 (# 779:10 Unique 2.10, 2.83 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 39 THR MG2 40 LEU HN 4.00 (# 780:10 Unique 2.83, 3.94 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 630, 631, 632,
&end
#
# 40 LEU HB- 40 LEU HN 3.50 (# 784:10 Unique 2.10, 2.83 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643,
&end
#
# 0 AMB 10-2:785 109 THR HN 5.00 (# 785:10 Single 0.00, 0.00 )
&rst
ixpk= 785, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1728,1729,1745,1746,
&end
#
# 44 PHE HD 45 MET HN 4.00 (# 786:10 Unique 3.09, 4.69 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 714, 722,
&end
#
# 45 MET HA 45 MET HN 3.50 (# 787:10 Unique 2.87, 2.88 A)
&rst
ixpk= 787, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 PHE HA 45 MET HN 2.80 (# 788:10 Unique 2.15, 2.18 A)
&rst
ixpk= 788, nxpk= 10, iat= 708, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 PHE HB- 45 MET HN 4.00 (# 789:10 Unique 3.01, 3.77 A)
&rst
ixpk= 789, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 710, 711,
&end
#
# 45 MET HG+ 45 MET HN 4.00 (# 790:10 Unique 3.12, 3.34 A)
&rst
ixpk= 790, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 733, 734,
&end
#
# 45 MET HG- 45 MET HN 4.00 (# 791:10 Unique 3.12, 3.34 A)
&rst
ixpk= 791, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 733, 734,
&end
#
# 45 MET HB- 45 MET HN 3.50 (# 792:10 Unique 2.15, 2.87 A)
&rst
ixpk= 792, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 730, 731,
&end
#
# 45 MET HB+ 45 MET HN 3.80 (# 793:10 Unique 2.15, 2.87 A)
&rst
ixpk= 793, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 730, 731,
&end
#
# 103 ILE HB 45 MET HN 5.00 (# 794:10 Unique 4.92, 5.07 A)
&rst
ixpk= 794, nxpk= 10, iat=1631, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:795 45 MET HN 5.00 (# 795:10 Single 0.00, 0.00 )
&rst
ixpk= 795, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1078,1640,1641,1642,
&end
#
# 34 TYR HN 33 TYR HN 3.50 (# 797:10 Unique 2.81, 2.94 A)
&rst
ixpk= 797, nxpk= 10, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 TYR HD 33 TYR HN 6.20 (# 798:10 Unique 4.41, 6.17 A)
&rst
ixpk= 798, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 547, 556,
&end
#
# 32 TRP HN 33 TYR HN 3.50 (# 799:10 Unique 2.85, 2.99 A)
&rst
ixpk= 799, nxpk= 10, iat= 494, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 MET HA 33 TYR HN 4.00 (# 800:10 Unique 3.93, 4.18 A)
&rst
ixpk= 800, nxpk= 10, iat= 472, 518, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 TYR HA 33 TYR HN 3.50 (# 801:10 Unique 2.73, 2.77 A)
&rst
ixpk= 801, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 TRP HB+ 33 TYR HN 3.50 (# 803:10 Unique 2.24, 2.77 A)
&rst
ixpk= 803, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 498, 499,
&end
#
# 33 TYR HB+ 33 TYR HN 3.00 (# 805:10 Unique 2.29, 2.54 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 522, 523,
&end
#
# 30 MET ME 33 TYR HN 5.00 (# 806:10 Unique 4.88, 5.96 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 481, 482, 483,
&end
#
# 0 AMB 10-2:811 109 THR HN 3.50 (# 811:10 Single 0.00, 0.00 )
&rst
ixpk= 811, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1698,1674,
&end
#
# 110 GLN HN 109 THR HN 3.50 (# 812:10 Unique 2.89, 2.96 A)
&rst
ixpk= 812, nxpk= 10, iat=1724,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ASP HA 109 THR HN 4.00 (# 814:10 Unique 3.56, 3.56 A)
&rst
ixpk= 814, nxpk= 10, iat=1700,1710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 THR HB 109 THR HN 3.00 (# 815:10 Unique 2.34, 2.46 A)
&rst
ixpk= 815, nxpk= 10, iat=1714,1710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HA 109 THR HN 3.50 (# 816:10 Unique 2.77, 2.79 A)
&rst
ixpk= 816, nxpk= 10, iat=1712,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:817 109 THR HN 3.50 (# 817:10 Single 0.00, 0.00 )
&rst
ixpk= 817, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1702,1703,1678,1679,
&end
#
# 108 ASP HB- 109 THR HN 3.50 (# 818:10 Unique 2.52, 2.89 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1702,1703,
&end
#
# 0 AMB 10-2:819 109 THR HN 5.00 (# 819:10 Single 0.00, 0.00 )
&rst
ixpk= 819, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1662, 661, 662,1728,1729,
&end
#
# 109 THR MG2 109 THR HN 4.00 (# 820:10 Unique 4.32, 4.51 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1716,1717,1718,
&end
#
# 76 LYS HN 77 ASP HN 2.80 (# 821:10 Unique 1.76, 1.99 A)
&rst
ixpk= 821, nxpk= 10, iat=1226,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HN 77 ASP HN 4.00 (# 822:10 Unique 2.92, 3.32 A)
&rst
ixpk= 822, nxpk= 10, iat=1207,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LYS HA 77 ASP HN 4.00 (# 825:10 Unique 3.51, 3.54 A)
&rst
ixpk= 825, nxpk= 10, iat=1228,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HA 77 ASP HN 3.00 (# 826:10 Unique 2.94, 2.94 A)
&rst
ixpk= 826, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 77 ASP HB+ 77 ASP HN 4.00 (# 827:10 Unique 2.45, 3.36 A)
&rst
ixpk= 827, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1252,1253,
&end
#
# 77 ASP HB- 77 ASP HN 4.00 (# 828:10 Unique 2.45, 3.36 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1252,1253,
&end
#
# 76 LYS HB+ 77 ASP HN 4.00 (# 829:10 Unique 2.35, 3.34 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1230,1231,
&end
#
# 76 LYS HB- 77 ASP HN 4.00 (# 830:10 Unique 2.35, 3.34 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1230,1231,
&end
#
# 76 LYS HG+ 77 ASP HN 4.00 (# 832:10 Unique 1.88, 3.95 A)
&rst
ixpk= 832, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1233,1234,
&end
#
# 29 ALA MB 77 ASP HN 5.00 (# 833:10 Unique 3.61, 4.65 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 464, 465, 466,
&end
#
# 74 CYS HA 77 ASP HN 4.60 (# 834:10 Unique 2.98, 3.66 A)
&rst
ixpk= 834, nxpk= 10, iat=1198,1248, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 89 ASP HA 89 ASP HN 2.80 (# 837:10 Unique 2.28, 2.29 A)
&rst
ixpk= 837, nxpk= 10, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LYS HA 89 ASP HN 4.00 (# 838:10 Unique 3.45, 3.48 A)
&rst
ixpk= 838, nxpk= 10, iat=1402,1422, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 ASP HB+ 89 ASP HN 4.00 (# 839:10 Unique 3.18, 3.69 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1426,1427,
&end
#
# 0 AMB 10-2:840 89 ASP HN 4.00 (# 840:10 Single 0.00, 0.00 )
&rst
ixpk= 840, nxpk= 10, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1359,1360,1426,1427,
&end
#
# 88 LYS HB+ 89 ASP HN 4.00 (# 841:10 Unique 2.67, 3.52 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 88 LYS HB- 89 ASP HN 4.00 (# 842:10 Unique 2.67, 3.52 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 0 AMB 10-2:843 89 ASP HN 5.20 (# 843:10 Single 0.00, 0.00 )
&rst
ixpk= 843, nxpk= 10, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1407,1408,1349,1350,1351,
&end
#
# 25 LYS HD+ 25 LYS HN 4.20 (# 844:10 Unique 1.93, 3.17 A)
&rst
ixpk= 844, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 394, 395,
&end
#
# 25 LYS HG- 25 LYS HN 3.50 (# 845:10 Unique 1.82, 3.07 A)
&rst
ixpk= 845, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 93 TYR HN 92 VAL HN 5.00 (# 850:10 Unique 4.27, 4.32 A)
&rst
ixpk= 850, nxpk= 10, iat=1474,1458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 ASP HN 92 VAL HN 5.00 (# 851:10 Unique 4.52, 4.56 A)
&rst
ixpk= 851, nxpk= 10, iat=1446,1458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:855 92 VAL HN 2.80 (# 855:10 Single 0.00, 0.00 )
&rst
ixpk= 855, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1448,1460,
&end
#
# 91 ASP HB- 92 VAL HN 3.10 (# 857:10 Unique 2.82, 3.61 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1450,1451,
&end
#
# 92 VAL HB 92 VAL HN 4.00 (# 859:10 Unique 3.20, 3.55 A)
&rst
ixpk= 859, nxpk= 10, iat=1462,1458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 LYS HG+ 92 VAL HN 6.60 (# 861:10 Unique 5.91, 6.82 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1407,1408,
&end
#
# 83 ALA MB 92 VAL HN 5.00 (# 862:10 Unique 5.06, 5.99 A)
&rst
ixpk= 862, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1349,1350,1351,
&end
#
# 0 AMB 10-2:864 92 VAL HN 3.00 (# 864:10 Single 0.00, 0.00 )
&rst
ixpk= 864, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 15 GLU HA 20 VAL HN 5.50 (# 866:10 Unique 3.67, 3.98 A)
&rst
ixpk= 866, nxpk= 10, iat= 239, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:867 20 VAL HN 5.00 (# 867:10 Single 0.00, 0.00 )
&rst
ixpk= 867, nxpk= 10, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 304, 244, 245,
&end
#
# 20 VAL HB 20 VAL HN 5.00 (# 868:10 Unique 3.56, 3.64 A)
&rst
ixpk= 868, nxpk= 10, iat= 323, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE QG2 20 VAL HN 6.00 (# 869:10 Unique 4.53, 5.02 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 306, 307, 308,
&end
#
# 0 AMB 10-2:870 20 VAL HN 4.50 (# 870:10 Single 0.00, 0.00 )
&rst
ixpk= 870, nxpk= 10, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 0 AMB 10-2:871 47 LYS HN 5.00 (# 871:10 Single 0.00, 0.00 )
&rst
ixpk= 871, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 743,1043,
&end
#
# 103 ILE HN 47 LYS HN 4.50 (# 872:10 Unique 3.45, 3.85 A)
&rst
ixpk= 872, nxpk= 10, iat=1627, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:873 47 LYS HN 3.00 (# 873:10 Single 0.00, 0.00 )
&rst
ixpk= 873, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 745, 746, 752,
&end
#
# 62 THR HA 47 LYS HN 5.50 (# 874:10 Unique 5.00, 5.17 A)
&rst
ixpk= 874, nxpk= 10, iat=1031, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 ALA HA 47 LYS HN 4.50 (# 876:10 Unique 3.61, 4.00 A)
&rst
ixpk= 876, nxpk= 10, iat=1619, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 GLY HA+ 47 LYS HN 3.00 (# 877:10 Unique 2.15, 2.59 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 745, 746,
&end
#
# 101 GLU HB- 47 LYS HN 3.50 (# 878:10 Unique 1.82, 3.03 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1606,1607,
&end
#
# 47 LYS HB+ 47 LYS HN 3.50 (# 879:10 Unique 2.14, 2.70 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 754, 755,
&end
#
# 47 LYS HB- 47 LYS HN 3.50 (# 880:10 Unique 2.14, 2.70 A)
&rst
ixpk= 880, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 754, 755,
&end
#
# 0 AMB 10-2:881 47 LYS HN 4.00 (# 881:10 Single 0.00, 0.00 )
&rst
ixpk= 881, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1637,1638, 760, 761,
&end
#
# 0 AMB 10-2:882 47 LYS HN 4.00 (# 882:10 Single 0.00, 0.00 )
&rst
ixpk= 882, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1593,1594, 757, 758,
&end
#
# 103 ILE HG1+ 47 LYS HN 4.80 (# 883:10 Unique 2.38, 4.37 A)
&rst
ixpk= 883, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1637,1638,
&end
#
# 100 ILE QG2 47 LYS HN 4.00 (# 884:10 Unique 3.57, 4.98 A)
&rst
ixpk= 884, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1589,1590,1591,
&end
#
# 101 GLU HB+ 47 LYS HN 4.00 (# 885:10 Unique 1.82, 3.03 A)
&rst
ixpk= 885, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1606,1607,
&end
#
# 24 ASP HA 25 LYS HN 2.80 (# 886:10 Unique 2.30, 2.36 A)
&rst
ixpk= 886, nxpk= 10, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 LYS HA 25 LYS HN 3.50 (# 888:10 Unique 2.73, 2.76 A)
&rst
ixpk= 888, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASP HB+ 25 LYS HN 4.00 (# 889:10 Unique 2.11, 3.36 A)
&rst
ixpk= 889, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 376, 377,
&end
#
# 24 ASP HB- 25 LYS HN 4.00 (# 890:10 Unique 2.11, 3.36 A)
&rst
ixpk= 890, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 376, 377,
&end
#
# 25 LYS HB+ 25 LYS HN 3.80 (# 891:10 Unique 2.46, 3.09 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 388, 389,
&end
#
# 107 ASP HN 108 ASP HN 3.00 (# 892:10 Unique 2.53, 2.59 A)
&rst
ixpk= 892, nxpk= 10, iat=1686,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 0 AMB 10-1:893 3.00 (# 893:10 Single 0.00, 0.00 )
&rst
ixpk= 893, nxpk= 10, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1698,1674,
&end
#
# 110 GLN HN 0 AMB 10-1:894 4.20 (# 894:10 Single 0.00, 0.00 )
&rst
ixpk= 894, nxpk= 10, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1674,1698,
&end
#
# 108 ASP HA 108 ASP HN 3.00 (# 895:10 Unique 2.75, 2.77 A)
&rst
ixpk= 895, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 ASP HA 108 ASP HN 4.00 (# 896:10 Unique 3.54, 3.55 A)
&rst
ixpk= 896, nxpk= 10, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:898 0 AMB 10-1:898 3.00 (# 898:10 Double 0.00, 0.00 )
&rst
ixpk= 898, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1702,1703,1678,1679,1690,1691,
igr2=1698,1674,
&end
#
# 107 ASP HB- 108 ASP HN 3.00 (# 899:10 Unique 2.30, 2.96 A)
&rst
ixpk= 899, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1690,1691,
&end
#
# 108 ASP HB- 108 ASP HN 3.60 (# 900:10 Unique 2.07, 2.76 A)
&rst
ixpk= 900, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1702,1703,
&end
#
# 111 GLU HB+ 108 ASP HN 5.00 (# 901:10 Unique 4.67, 5.58 A)
&rst
ixpk= 901, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1745,1746,
&end
#
# 105 VAL HN 106 ASP HN 5.00 (# 902:10 Unique 4.38, 4.44 A)
&rst
ixpk= 902, nxpk= 10, iat=1658,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 ASP HA 106 ASP HN 3.00 (# 903:10 Unique 2.88, 2.92 A)
&rst
ixpk= 903, nxpk= 10, iat=1676,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HB 106 ASP HN 3.00 (# 904:10 Unique 2.20, 2.55 A)
&rst
ixpk= 904, nxpk= 10, iat=1714,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:905 0 AMB 10-1:905 3.00 (# 905:10 Double 0.00, 0.00 )
&rst
ixpk= 905, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1678,1679,1678,1679,
igr2=1674,1698,
&end
#
# 105 VAL HB 106 ASP HN 4.20 (# 907:10 Unique 1.94, 2.15 A)
&rst
ixpk= 907, nxpk= 10, iat=1662,1674, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 105 VAL MGY 106 ASP HN 3.00 (# 908:10 Unique 2.61, 4.12 A)
&rst
ixpk= 908, nxpk= 10, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 125 LYS HN 124 TYR HN 5.50 (# 910:10 Unique 2.92, 3.56 A)
&rst
ixpk= 910, nxpk= 10, iat=1976,1955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA- 124 TYR HN 4.50 (# 911:10 Unique 2.25, 3.00 A)
&rst
ixpk= 911, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1950,1951,
&end
#
# 124 TYR HB- 124 TYR HN 4.00 (# 913:10 Unique 2.39, 3.11 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1959,1960,
&end
#
# 123 GLY HA+ 124 TYR HN 4.00 (# 914:10 Unique 2.25, 3.00 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1950,1951,
&end
#
# 21 ASP HN 20 VAL HN 5.00 (# 916:10 Unique 3.90, 4.00 A)
&rst
ixpk= 916, nxpk= 10, iat= 335, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HG1+ 20 VAL HN 4.00 (# 918:10 Unique 1.73, 3.06 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 310, 311,
&end
#
# 19 ILE HN 20 VAL HN 4.00 (# 919:10 Unique 1.87, 2.20 A)
&rst
ixpk= 919, nxpk= 10, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 VAL HA 20 VAL HN 3.80 (# 920:10 Unique 2.28, 2.28 A)
&rst
ixpk= 920, nxpk= 10, iat= 321, 319, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 51 LYS HA 52 SER HN 5.50 (# 921:10 Unique 2.14, 2.77 A)
&rst
ixpk= 921, nxpk= 10, iat= 842, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 SER HB+ 52 SER HN 5.50 (# 922:10 Unique 3.08, 3.58 A)
&rst
ixpk= 922, nxpk= 10, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 123 GLY HN 124 TYR HN 4.20 (# 924:10 Unique 1.67, 2.92 A)
&rst
ixpk= 924, nxpk= 10, iat=1948,1955, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 124 TYR HA 124 TYR HN 4.00 (# 926:10 Unique 2.28, 2.70 A)
&rst
ixpk= 926, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 TYR HB+ 124 TYR HN 4.70 (# 927:10 Unique 2.39, 3.11 A)
&rst
ixpk= 927, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1959,1960,
&end
#
# 122 ARG HB- 124 TYR HN 6.80 (# 928:10 Unique 3.20, 5.40 A)
&rst
ixpk= 928, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1928,1929,
&end
#
# 108 ASP HA 107 ASP HN 5.40 (# 929:10 Unique 5.14, 5.20 A)
&rst
ixpk= 929, nxpk= 10, iat=1700,1686, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 110 GLN HN 111 GLU HN 4.00 (# 930:10 Unique 3.00, 3.03 A)
&rst
ixpk= 930, nxpk= 10, iat=1724,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA MB 111 GLU HN 5.00 (# 931:10 Unique 4.70, 5.68 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 105 VAL MGX 111 GLU HN 6.00 (# 932:10 Unique 5.12, 7.00 A)
&rst
ixpk= 932, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 10-2:935 63 VAL HN 5.00 (# 935:10 Single 0.00, 0.00 )
&rst
ixpk= 935, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1029,1059,1345,
&end
#
# 0 AMB 10-2:936 63 VAL HN 4.00 (# 936:10 Single 0.00, 0.00 )
&rst
ixpk= 936, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 752, 745, 746,
&end
#
# 62 THR HA 63 VAL HN 2.80 (# 937:10 Unique 2.14, 2.15 A)
&rst
ixpk= 937, nxpk= 10, iat=1031,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 THR HB 63 VAL HN 4.50 (# 938:10 Unique 3.81, 4.10 A)
&rst
ixpk= 938, nxpk= 10, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:939 63 VAL HN 6.00 (# 939:10 Single 0.00, 0.00 )
&rst
ixpk= 939, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 776, 777, 745, 746,
&end
#
# 45 MET ME 63 VAL HN 3.80 (# 940:10 Unique 2.02, 3.09 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 737, 738, 739,
&end
#
# 48 TRP HN 63 VAL HN 4.50 (# 942:10 Unique 3.59, 3.91 A)
&rst
ixpk= 942, nxpk= 10, iat= 772,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:944 63 VAL HN 4.00 (# 944:10 Single 0.00, 0.00 )
&rst
ixpk= 944, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1035,1036,1037,1377,1378,
&end
#
# 63 VAL MGY 63 VAL HN 4.00 (# 945:10 Unique 2.19, 3.56 A)
&rst
ixpk= 945, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL MGX 63 VAL HN 3.40 (# 946:10 Unique 2.19, 3.56 A)
&rst
ixpk= 946, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 108 ASP HN 107 ASP HN 3.00 (# 947:10 Unique 2.53, 2.59 A)
&rst
ixpk= 947, nxpk= 10, iat=1698,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ASP HA 107 ASP HN 3.00 (# 949:10 Unique 2.71, 2.74 A)
&rst
ixpk= 949, nxpk= 10, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 ASP HA 107 ASP HN 3.00 (# 950:10 Unique 2.84, 2.86 A)
&rst
ixpk= 950, nxpk= 10, iat=1688,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ASP HB+ 107 ASP HN 3.40 (# 951:10 Unique 2.08, 2.89 A)
&rst
ixpk= 951, nxpk= 10, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1678,1679,
&end
#
# 0 AMB 10-2:952 107 ASP HN 3.00 (# 952:10 Single 0.00, 0.00 )
&rst
ixpk= 952, nxpk= 10, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1678,1679,1690,1691,
&end
#
# 107 ASP HB- 107 ASP HN 3.00 (# 953:10 Unique 2.09, 2.94 A)
&rst
ixpk= 953, nxpk= 10, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1690,1691,
&end
#
# 111 GLU HA 111 GLU HN 3.00 (# 956:10 Unique 2.70, 2.71 A)
&rst
ixpk= 956, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA HN 111 GLU HN 3.50 (# 958:10 Unique 2.87, 3.00 A)
&rst
ixpk= 958, nxpk= 10, iat=1756,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLN HA 111 GLU HN 4.00 (# 959:10 Unique 3.57, 3.57 A)
&rst
ixpk= 959, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 GLU HG+ 111 GLU HN 3.00 (# 960:10 Unique 2.11, 2.90 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1748,1749,
&end
#
# 0 AMB 10-2:961 111 GLU HN 3.00 (# 961:10 Single 0.00, 0.00 )
&rst
ixpk= 961, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1728,1729,1745,1746,
&end
#
# 110 GLN HB- 111 GLU HN 3.00 (# 962:10 Unique 2.07, 2.75 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 114 ALA MB 111 GLU HN 5.00 (# 963:10 Unique 4.67, 5.86 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1789,1790,1791,
&end
#
# 91 ASP HN 90 ASP HN 2.80 (# 966:10 Unique 1.86, 2.33 A)
&rst
ixpk= 966, nxpk= 10, iat=1446,1434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:969 90 ASP HN 6.00 (# 969:10 Single 0.00, 0.00 )
&rst
ixpk= 969, nxpk= 10, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1407,1408,1349,1350,1351,
&end
#
# 23 GLU HN 24 ASP HN 3.40 (# 973:10 Unique 1.81, 1.85 A)
&rst
ixpk= 973, nxpk= 10, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 25 LYS HN 24 ASP HN 5.00 (# 974:10 Unique 4.53, 4.59 A)
&rst
ixpk= 974, nxpk= 10, iat= 384, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLU HN 24 ASP HN 4.00 (# 975:10 Unique 3.83, 3.93 A)
&rst
ixpk= 975, nxpk= 10, iat= 421, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ASP HA 24 ASP HN 3.00 (# 976:10 Unique 2.89, 2.89 A)
&rst
ixpk= 976, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 GLU HA 24 ASP HN 4.40 (# 977:10 Unique 3.25, 3.32 A)
&rst
ixpk= 977, nxpk= 10, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 ALA HA 24 ASP HN 4.40 (# 978:10 Unique 3.23, 3.30 A)
&rst
ixpk= 978, nxpk= 10, iat= 349, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 0 AMB 10-2:979 24 ASP HN 5.50 (# 979:10 Single 0.00, 0.00 )
&rst
ixpk= 979, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 408,
&end
#
# 24 ASP HB+ 24 ASP HN 3.50 (# 980:10 Unique 2.13, 2.79 A)
&rst
ixpk= 980, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 376, 377,
&end
#
# 24 ASP HB- 24 ASP HN 3.80 (# 981:10 Unique 2.13, 2.79 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 376, 377,
&end
#
# 27 GLU HG- 24 ASP HN 4.00 (# 982:10 Unique 3.23, 3.41 A)
&rst
ixpk= 982, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 428, 429,
&end
#
# 0 AMB 10-2:983 24 ASP HN 4.00 (# 983:10 Single 0.00, 0.00 )
&rst
ixpk= 983, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 428, 429, 364, 365,
&end
#
# 27 GLU HB+ 24 ASP HN 3.00 (# 984:10 Unique 1.91, 2.87 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 425, 426,
&end
#
# 23 GLU HB- 24 ASP HN 5.10 (# 985:10 Unique 3.31, 3.83 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 361, 362,
&end
#
# 22 ALA MB 24 ASP HN 4.60 (# 987:10 Unique 4.10, 4.81 A)
&rst
ixpk= 987, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 351, 352, 353,
&end
#
# 0 AMB 10-2:990 27 GLU HN 3.00 (# 990:10 Single 0.00, 0.00 )
&rst
ixpk= 990, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 423, 408,
&end
#
# 90 ASP HB+ 90 ASP HN 3.00 (# 992:10 Unique 2.41, 2.90 A)
&rst
ixpk= 992, nxpk= 10, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1438,1439,
&end
#
# 0 AMB 10-2:993 27 GLU HN 3.00 (# 993:10 Single 0.00, 0.00 )
&rst
ixpk= 993, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 410, 411, 425, 426,
&end
#
# 88 LYS HB- 90 ASP HN 3.80 (# 994:10 Unique 2.22, 3.40 A)
&rst
ixpk= 994, nxpk= 10, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1404,1405,
&end
#
# 22 ALA MB 27 GLU HN 5.60 (# 995:10 Unique 4.84, 5.62 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 351, 352, 353,
&end
#
# 69 ALA MB 73 GLU HN 4.60 (# 997:10 Unique 3.97, 5.42 A)
&rst
ixpk= 997, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1137,1138,1139,
&end
#
# 74 CYS HN 73 GLU HN 3.40 (# 999:10 Unique 1.98, 2.13 A)
&rst
ixpk= 999, nxpk= 10, iat=1196,1181, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 74 CYS HA 73 GLU HN 5.60 (# 1000:10 Unique 4.61, 4.67 A)
&rst
ixpk= 1000, nxpk= 10, iat=1198,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 73 GLU HA 73 GLU HN 3.60 (# 1002:10 Unique 2.91, 2.93 A)
&rst
ixpk= 1002, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 72 ASP HA 73 GLU HN 4.10 (# 1003:10 Unique 2.82, 3.03 A)
&rst
ixpk= 1003, nxpk= 10, iat=1171,1181, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 ASP HA 73 GLU HN 4.60 (# 1004:10 Unique 3.30, 3.41 A)
&rst
ixpk= 1004, nxpk= 10, iat=1159,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 10-2:1005 73 GLU HN 4.60 (# 1005:10 Single 0.00, 0.00 )
&rst
ixpk= 1005, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1173,1174,1200,1201,
&end
#
# 0 AMB 10-2:1007 73 GLU HN 4.40 (# 1007:10 Single 0.00, 0.00 )
&rst
ixpk= 1007, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1185,1186,1188,1189,
&end
#
# 73 GLU HB- 73 GLU HN 4.40 (# 1008:10 Unique 2.51, 3.13 A)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1185,1186,
&end
#
# 70 PRO HB- 73 GLU HN 6.60 (# 1009:10 Unique 3.77, 5.15 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1150,1151,
&end
#
# 109 THR HB 110 GLN HN 2.80 (# 1014:10 Unique 2.17, 2.22 A)
&rst
ixpk= 1014, nxpk= 10, iat=1714,1724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1015 110 GLN HN 5.00 (# 1015:10 Single 0.00, 0.00 )
&rst
ixpk= 1015, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1731,1732,1748,1749,
&end
#
# 32 TRP HZ2 32 TRP HE1 3.50 (# 1017:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1017, nxpk= 10, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 TRP HZ2 32 TRP HE1 5.00 (# 1019:10 Unique 4.46, 4.65 A)
&rst
ixpk= 1019, nxpk= 10, iat=1884, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE QG2 32 TRP HE1 4.40 (# 1022:10 Unique 2.64, 4.14 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 306, 307, 308,
&end
#
# 18 ILE QG2 32 TRP HE1 4.90 (# 1023:10 Unique 3.09, 3.97 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 287, 288, 289,
&end
#
# 32 TRP HD1 32 TRP HE1 3.00 (# 1025:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1025, nxpk= 10, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1027 32 TRP HE1 6.40 (# 1027:10 Single 0.00, 0.00 )
&rst
ixpk= 1027, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 304, 244, 245,
&end
#
# 14 ILE QG2 32 TRP HE1 5.00 (# 1028:10 Unique 2.17, 4.33 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 224, 225, 226,
&end
#
# 19 ILE QD1 32 TRP HE1 3.90 (# 1029:10 Unique 1.93, 2.99 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 313, 314, 315,
&end
#
# 111 GLU HN 110 GLN HN 3.00 (# 1031:10 Unique 3.00, 3.03 A)
&rst
ixpk= 1031, nxpk= 10, iat=1741,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 110 GLN HN 3.50 (# 1032:10 Unique 2.89, 2.96 A)
&rst
ixpk= 1032, nxpk= 10, iat=1710,1724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1033 0 AMB 10-1:1033 5.60 (# 1033:10 Double 0.00, 0.00 )
&rst
ixpk= 1033, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1153,1700,1743,
igr2=1181,1724,
&end
#
# 107 ASP HA 110 GLN HN 4.00 (# 1034:10 Unique 3.86, 3.93 A)
&rst
ixpk= 1034, nxpk= 10, iat=1688,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 GLN HA 110 GLN HN 3.00 (# 1035:10 Unique 2.74, 2.75 A)
&rst
ixpk= 1035, nxpk= 10, iat=1726,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HA 110 GLN HN 4.00 (# 1036:10 Unique 3.57, 3.57 A)
&rst
ixpk= 1036, nxpk= 10, iat=1712,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1037 110 GLN HN 5.00 (# 1037:10 Single 0.00, 0.00 )
&rst
ixpk= 1037, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1678,1679,1702,1703,1690,1691,
&end
#
# 110 GLN HB+ 110 GLN HN 3.00 (# 1039:10 Unique 2.15, 2.56 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 110 GLN HB- 110 GLN HN 3.00 (# 1040:10 Unique 2.15, 2.56 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 105 VAL MGX 110 GLN HN 3.00 (# 1042:10 Unique 2.60, 4.40 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 72 ASP HA 74 CYS HN 5.60 (# 1043:10 Unique 4.60, 4.97 A)
&rst
ixpk= 1043, nxpk= 10, iat=1171,1196, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 16 THR HN 17 GLU HN 3.50 (# 1046:10 Unique 2.68, 2.80 A)
&rst
ixpk= 1046, nxpk= 10, iat= 252, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HN 17 GLU HN 3.20 (# 1047:10 Unique 1.69, 1.77 A)
&rst
ixpk= 1047, nxpk= 10, iat= 281, 266, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 13 ARG HA 17 GLU HN 5.00 (# 1048:10 Unique 4.44, 4.51 A)
&rst
ixpk= 1048, nxpk= 10, iat= 196, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 GLU HG- 17 GLU HN 4.00 (# 1049:10 Unique 2.90, 3.52 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 273, 274,
&end
#
# 17 GLU HB+ 17 GLU HN 4.00 (# 1050:10 Unique 2.76, 3.34 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 270, 271,
&end
#
# 17 GLU HB- 17 GLU HN 4.00 (# 1051:10 Unique 2.76, 3.34 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 270, 271,
&end
#
# 19 ILE HG1- 17 GLU HN 5.90 (# 1052:10 Unique 3.47, 4.96 A)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:1053 17 GLU HN 4.40 (# 1053:10 Single 0.00, 0.00 )
&rst
ixpk= 1053, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 310, 311, 285,
&end
#
# 0 AMB 10-2:1054 17 GLU HN 5.40 (# 1054:10 Single 0.00, 0.00 )
&rst
ixpk= 1054, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 313, 314, 315, 258, 259, 260,
&end
#
# 17 GLU HA 17 GLU HN 3.50 (# 1056:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1056, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 THR HB 17 GLU HN 5.00 (# 1057:10 Unique 4.51, 4.54 A)
&rst
ixpk= 1057, nxpk= 10, iat= 256, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1058 74 CYS HN 5.60 (# 1058:10 Single 0.00, 0.00 )
&rst
ixpk= 1058, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1169,1133,
&end
#
# 75 LEU HN 74 CYS HN 4.60 (# 1059:10 Unique 3.63, 3.93 A)
&rst
ixpk= 1059, nxpk= 10, iat=1207,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 71 ASP HA 74 CYS HN 4.60 (# 1060:10 Unique 2.82, 3.52 A)
&rst
ixpk= 1060, nxpk= 10, iat=1159,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 73 GLU HB+ 74 CYS HN 4.10 (# 1061:10 Unique 2.33, 3.01 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1185,1186,
&end
#
# 73 GLU HB- 74 CYS HN 4.10 (# 1062:10 Unique 2.33, 3.01 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:1063 74 CYS HN 6.60 (# 1063:10 Single 0.00, 0.00 )
&rst
ixpk= 1063, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1157,1248,
&end
#
# 73 GLU HN 74 CYS HN 3.40 (# 1064:10 Unique 1.98, 2.13 A)
&rst
ixpk= 1064, nxpk= 10, iat=1181,1196, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 74 CYS HA 74 CYS HN 4.10 (# 1065:10 Unique 2.81, 2.86 A)
&rst
ixpk= 1065, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 73 GLU HA 74 CYS HN 4.60 (# 1067:10 Unique 3.52, 3.56 A)
&rst
ixpk= 1067, nxpk= 10, iat=1183,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 CYS HB+ 74 CYS HN 4.40 (# 1068:10 Unique 2.45, 3.14 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1200,1201,
&end
#
# 74 CYS HB- 74 CYS HN 4.40 (# 1069:10 Unique 2.45, 3.14 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1200,1201,
&end
#
# 0 AMB 10-2:1071 74 CYS HN 6.10 (# 1071:10 Single 0.00, 0.00 )
&rst
ixpk= 1071, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1127,1128,1129,1150,1151,
&end
#
# 0 AMB 10-2:1072 74 CYS HN 5.60 (# 1072:10 Single 0.00, 0.00 )
&rst
ixpk= 1072, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1214, 481, 482, 483,
&end
#
# 0 AMB 10-2:1073 74 CYS HN 6.60 (# 1073:10 Single 0.00, 0.00 )
&rst
ixpk= 1073, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
&end
#
# 75 LEU MDX 74 CYS HN 6.60 (# 1074:10 Unique 4.09, 5.79 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 36 LEU HN 37 ASP HN 3.50 (# 1076:10 Unique 2.64, 2.77 A)
&rst
ixpk= 1076, nxpk= 10, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 TYR HD 37 ASP HN 6.00 (# 1077:10 Unique 5.90, 6.92 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 547, 556,
&end
#
# 37 ASP HB+ 37 ASP HN 3.00 (# 1078:10 Unique 2.07, 2.67 A)
&rst
ixpk= 1078, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 36 LEU HB- 37 ASP HN 4.00 (# 1080:10 Unique 2.21, 2.94 A)
&rst
ixpk= 1080, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 585, 586,
&end
#
# 36 LEU MDX 37 ASP HN 5.00 (# 1081:10 Unique 2.52, 5.03 A)
&rst
ixpk= 1081, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 33 TYR HA 37 ASP HN 4.50 (# 1083:10 Unique 3.30, 3.54 A)
&rst
ixpk= 1083, nxpk= 10, iat= 520, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 MET ME 37 ASP HN 5.00 (# 1084:10 Unique 3.08, 5.15 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1127,1128,1129,
&end
#
# 16 THR HA 17 GLU HN 3.50 (# 1088:10 Unique 2.87, 2.95 A)
&rst
ixpk= 1088, nxpk= 10, iat= 254, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1089 17 GLU HN 6.00 (# 1089:10 Single 0.00, 0.00 )
&rst
ixpk= 1089, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 5 GLU HN 4 VAL HN 4.20 (# 1093:10 Unique 2.30, 2.61 A)
&rst
ixpk= 1093, nxpk= 10, iat= 58, 42, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 SER HA 4 VAL HN 4.00 (# 1095:10 Unique 2.50, 2.60 A)
&rst
ixpk= 1095, nxpk= 10, iat= 33, 42, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 SER HB+ 4 VAL HN 4.40 (# 1096:10 Unique 4.29, 4.49 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 35, 36,
&end
#
# 0 AMB 10-2:1097 4 VAL HN 5.00 (# 1097:10 Single 0.00, 0.00 )
&rst
ixpk= 1097, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1875,1876,1926,
&end
#
# 122 ARG HD+ 4 VAL HN 5.00 (# 1098:10 Unique 3.80, 4.96 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1934,1935,
&end
#
# 4 VAL HB 4 VAL HN 4.00 (# 1099:10 Unique 2.71, 2.87 A)
&rst
ixpk= 1099, nxpk= 10, iat= 46, 42, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ALA MB 4 VAL HN 7.00 (# 1100:10 Unique 2.68, 4.24 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 25, 26, 27,
&end
#
# 4 VAL MGX 4 VAL HN 3.00 (# 1101:10 Unique 1.94, 3.75 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 36 LEU HA 37 ASP HN 4.00 (# 1104:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1104, nxpk= 10, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 ASP HN 37 ASP HN 3.00 (# 1105:10 Unique 2.56, 2.68 A)
&rst
ixpk= 1105, nxpk= 10, iat= 612, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 ASP HA 37 ASP HN 3.50 (# 1106:10 Unique 2.78, 2.83 A)
&rst
ixpk= 1106, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP HB+ 37 ASP HN 5.50 (# 1107:10 Unique 4.66, 4.95 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 616, 617,
&end
#
# 37 ASP HB- 37 ASP HN 3.00 (# 1108:10 Unique 2.07, 2.67 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 36 LEU HB+ 37 ASP HN 3.50 (# 1109:10 Unique 2.21, 2.94 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 585, 586,
&end
#
# 36 LEU MDY 37 ASP HN 5.00 (# 1110:10 Unique 2.52, 5.03 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 11 GLU HG+ 12 HIS HN 4.50 (# 1113:10 Unique 2.52, 4.10 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 169, 170,
&end
#
# 11 GLU HN 12 HIS HN 3.80 (# 1114:10 Unique 3.23, 3.32 A)
&rst
ixpk= 1114, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 13 ARG HN 12 HIS HN 3.50 (# 1115:10 Unique 2.94, 2.99 A)
&rst
ixpk= 1115, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 HIS HA 12 HIS HN 3.00 (# 1117:10 Unique 2.78, 2.81 A)
&rst
ixpk= 1117, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 GLU HA 12 HIS HN 4.00 (# 1119:10 Unique 3.56, 3.56 A)
&rst
ixpk= 1119, nxpk= 10, iat= 164, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 HIS HB+ 12 HIS HN 3.00 (# 1120:10 Unique 2.22, 2.86 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 181, 182,
&end
#
# 12 HIS HB- 12 HIS HN 3.80 (# 1121:10 Unique 2.22, 2.86 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 181, 182,
&end
#
# 11 GLU HB- 12 HIS HN 3.00 (# 1122:10 Unique 1.96, 2.58 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 166, 167,
&end
#
# 11 GLU HG- 12 HIS HN 4.30 (# 1123:10 Unique 2.52, 4.10 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 169, 170,
&end
#
# 0 AMB 10-2:1124 12 HIS HN 4.00 (# 1124:10 Single 0.00, 0.00 )
&rst
ixpk= 1124, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 113, 114, 241, 242,
&end
#
# 13 ARG HG+ 12 HIS HN 5.00 (# 1126:10 Unique 4.18, 4.90 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 201, 202,
&end
#
# 19 ILE HN 18 ILE HN 3.40 (# 1128:10 Unique 2.04, 2.44 A)
&rst
ixpk= 1128, nxpk= 10, iat= 300, 281, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 16 THR HN 18 ILE HN 5.40 (# 1129:10 Unique 4.21, 4.30 A)
&rst
ixpk= 1129, nxpk= 10, iat= 252, 281, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 17 GLU HN 18 ILE HN 3.20 (# 1130:10 Unique 1.69, 1.77 A)
&rst
ixpk= 1130, nxpk= 10, iat= 266, 281, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 17 GLU HA 18 ILE HN 4.40 (# 1131:10 Unique 3.46, 3.49 A)
&rst
ixpk= 1131, nxpk= 10, iat= 268, 281, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 THR HB 18 ILE HN 6.90 (# 1132:10 Unique 6.09, 6.21 A)
&rst
ixpk= 1132, nxpk= 10, iat= 256, 281, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 13 ARG HA 18 ILE HN 6.40 (# 1133:10 Unique 5.56, 5.77 A)
&rst
ixpk= 1133, nxpk= 10, iat= 196, 281, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 18 ILE HA 18 ILE HN 3.90 (# 1134:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1134, nxpk= 10, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 GLU HB- 18 ILE HN 4.40 (# 1137:10 Unique 2.65, 3.36 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 270, 271,
&end
#
# 0 AMB 10-2:1138 18 ILE HN 3.40 (# 1138:10 Single 0.00, 0.00 )
&rst
ixpk= 1138, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 285, 310, 311,
&end
#
# 0 AMB 10-2:1139 18 ILE HN 6.00 (# 1139:10 Single 0.00, 0.00 )
&rst
ixpk= 1139, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 291, 292, 325, 326, 327, 329, 330, 331,
&end
#
# 18 ILE QD1 18 ILE HN 4.40 (# 1140:10 Unique 4.16, 4.81 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 294, 295, 296,
&end
#
# 18 ILE QG2 18 ILE HN 5.40 (# 1141:10 Unique 4.15, 4.53 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 287, 288, 289,
&end
#
# 18 ILE HG1+ 18 ILE HN 4.40 (# 1142:10 Unique 2.27, 3.33 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 291, 292,
&end
#
# 10 ARG HB- 11 GLU HN 3.50 (# 1147:10 Unique 1.96, 2.74 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 142, 143,
&end
#
# 116 TRP HN 117 LEU HN 3.50 (# 1149:10 Unique 2.52, 2.74 A)
&rst
ixpk= 1149, nxpk= 10, iat=1807,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1150 117 LEU HN 3.00 (# 1150:10 Single 0.00, 0.00 )
&rst
ixpk= 1150, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1833,1768,
&end
#
# 12 HIS HN 11 GLU HN 4.00 (# 1152:10 Unique 3.23, 3.32 A)
&rst
ixpk= 1152, nxpk= 10, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 ARG HN 11 GLU HN 3.00 (# 1153:10 Unique 2.42, 2.49 A)
&rst
ixpk= 1153, nxpk= 10, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1155 11 GLU HN 6.00 (# 1155:10 Single 0.00, 0.00 )
&rst
ixpk= 1155, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 33, 179,
&end
#
# 8 GLU HA 11 GLU HN 3.50 (# 1156:10 Unique 3.42, 3.51 A)
&rst
ixpk= 1156, nxpk= 10, iat= 111, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLU HG+ 11 GLU HN 4.50 (# 1157:10 Unique 1.97, 3.12 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 169, 170,
&end
#
# 11 GLU HG- 11 GLU HN 4.00 (# 1158:10 Unique 1.97, 3.12 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 169, 170,
&end
#
# 8 GLU HB- 11 GLU HN 5.00 (# 1159:10 Unique 4.89, 5.74 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 113, 114,
&end
#
# 14 ILE QG2 11 GLU HN 5.00 (# 1161:10 Unique 4.51, 5.58 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 224, 225, 226,
&end
#
# 118 TYR HN 117 LEU HN 3.50 (# 1162:10 Unique 2.70, 2.87 A)
&rst
ixpk= 1162, nxpk= 10, iat=1850,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 TRP HA 117 LEU HN 4.00 (# 1164:10 Unique 3.51, 3.56 A)
&rst
ixpk= 1164, nxpk= 10, iat=1809,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 ALA HA 117 LEU HN 4.00 (# 1165:10 Unique 3.23, 3.45 A)
&rst
ixpk= 1165, nxpk= 10, iat=1787,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 TRP HB+ 117 LEU HN 4.20 (# 1166:10 Unique 2.25, 3.28 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1811,1812,
&end
#
# 116 TRP HB- 117 LEU HN 3.80 (# 1167:10 Unique 2.25, 3.28 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1811,1812,
&end
#
# 117 LEU HG 117 LEU HN 3.00 (# 1168:10 Unique 2.16, 2.55 A)
&rst
ixpk= 1168, nxpk= 10, iat=1838,1831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 LEU HB- 117 LEU HN 3.80 (# 1169:10 Unique 2.24, 3.01 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1835,1836,
&end
#
# 0 AMB 10-2:1170 117 LEU HN 5.00 (# 1170:10 Single 0.00, 0.00 )
&rst
ixpk= 1170, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1545,1546,1789,1790,1791,
&end
#
# 117 LEU MDX 117 LEU HN 5.00 (# 1171:10 Unique 1.94, 4.26 A)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU MDY 117 LEU HN 5.00 (# 1172:10 Unique 1.94, 4.26 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 14 ILE HN 15 GLU HN 3.50 (# 1173:10 Unique 2.87, 2.89 A)
&rst
ixpk= 1173, nxpk= 10, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 THR HN 15 GLU HN 3.00 (# 1174:10 Unique 2.47, 2.56 A)
&rst
ixpk= 1174, nxpk= 10, iat= 252, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 GLU HG+ 15 GLU HN 4.00 (# 1175:10 Unique 3.81, 4.17 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 244, 245,
&end
#
# 0 AMB 10-2:1176 15 GLU HN 5.00 (# 1176:10 Single 0.00, 0.00 )
&rst
ixpk= 1176, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 258, 259, 260, 313, 314, 315,
&end
#
# 0 AMB 10-2:1177 9 THR HN 5.00 (# 1177:10 Single 0.00, 0.00 )
&rst
ixpk= 1177, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 65, 66, 101, 102, 101, 102,
&end
#
# 7 ASP HA 9 THR HN 5.00 (# 1180:10 Unique 3.89, 4.13 A)
&rst
ixpk= 1180, nxpk= 10, iat= 99, 124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 THR HB 9 THR HN 3.40 (# 1183:10 Unique 2.25, 2.32 A)
&rst
ixpk= 1183, nxpk= 10, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 0 AMB 10-2:1184 9 THR HN 3.00 (# 1184:10 Single 0.00, 0.00 )
&rst
ixpk= 1184, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 126, 111,
&end
#
# 74 CYS HN 72 ASP HN 5.60 (# 1186:10 Unique 4.13, 4.52 A)
&rst
ixpk= 1186, nxpk= 10, iat=1196,1169, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 73 GLU HB- 72 ASP HN 6.40 (# 1187:10 Unique 4.04, 4.95 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1185,1186,
&end
#
# 119 TRP HZ2 125 LYS HN 6.00 (# 1189:10 Unique 3.45, 5.30 A)
&rst
ixpk= 1189, nxpk= 10, iat=1884,1976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 TYR HN 125 LYS HN 5.50 (# 1190:10 Unique 2.92, 3.56 A)
&rst
ixpk= 1190, nxpk= 10, iat=1955,1976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 LYS HB+ 125 LYS HN 4.00 (# 1192:10 Unique 2.77, 3.67 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1980,1981,
&end
#
# 0 AMB 10-2:1193 125 LYS HN 4.00 (# 1193:10 Single 0.00, 0.00 )
&rst
ixpk= 1193, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1980,1981,1986,1987,
&end
#
# 125 LYS HG+ 125 LYS HN 3.00 (# 1194:10 Unique 2.41, 3.50 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1983,1984,
&end
#
# 124 TYR HB+ 125 LYS HN 4.50 (# 1195:10 Unique 1.60, 3.11 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1959,1960,
&end
#
# 124 TYR HE 125 LYS HN 6.00 (# 1196:10 Unique 3.54, 4.48 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1965,1970,
&end
#
# 121 ALA HN 122 ARG HN 3.50 (# 1197:10 Unique 2.65, 2.88 A)
&rst
ixpk= 1197, nxpk= 10, iat=1914,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 ALA HA 122 ARG HN 4.00 (# 1198:10 Unique 3.41, 3.52 A)
&rst
ixpk= 1198, nxpk= 10, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1199 122 ARG HN 4.00 (# 1199:10 Single 0.00, 0.00 )
&rst
ixpk= 1199, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 48, 49, 50, 52, 53, 54,1931,1932,
&end
#
# 0 AMB 10-2:1200 113 ILE HN 5.00 (# 1200:10 Single 0.00, 0.00 )
&rst
ixpk= 1200, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1789,1790,1791,1545,1546,
&end
#
# 0 AMB 10-2:1202 113 ILE HN 4.00 (# 1202:10 Single 0.00, 0.00 )
&rst
ixpk= 1202, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,1840,
1841,1842,1844,1845,1846,
&end
#
# 109 THR MG2 113 ILE HN 5.00 (# 1203:10 Unique 4.09, 5.16 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1716,1717,1718,
&end
#
# 114 ALA HN 113 ILE HN 3.50 (# 1204:10 Unique 2.92, 2.99 A)
&rst
ixpk= 1204, nxpk= 10, iat=1785,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1205 113 ILE HN 3.00 (# 1205:10 Single 0.00, 0.00 )
&rst
ixpk= 1205, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1768,1726,
&end
#
# 113 ILE HG1+ 113 ILE HN 3.30 (# 1206:10 Unique 1.96, 3.10 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1776,1777,
&end
#
# 113 ILE HB 113 ILE HN 3.00 (# 1207:10 Unique 2.42, 2.52 A)
&rst
ixpk= 1207, nxpk= 10, iat=1770,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA MB 113 ILE HN 3.50 (# 1208:10 Unique 2.19, 3.11 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1760,1761,1762,
&end
#
# 113 ILE QG2 113 ILE HN 4.00 (# 1209:10 Unique 4.35, 4.52 A)
&rst
ixpk= 1209, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1772,1773,1774,
&end
#
# 0 AMB 10-2:1210 113 ILE HN 3.30 (# 1210:10 Single 0.00, 0.00 )
&rst
ixpk= 1210, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1776,1777, 647, 648, 649, 651, 652, 653,
&end
#
# 113 ILE QD1 113 ILE HN 4.00 (# 1211:10 Unique 2.49, 3.51 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1779,1780,1781,
&end
#
# 13 ARG HN 15 GLU HN 4.50 (# 1213:10 Unique 3.99, 4.01 A)
&rst
ixpk= 1213, nxpk= 10, iat= 194, 237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 HIS HA 15 GLU HN 4.30 (# 1215:10 Unique 3.72, 3.76 A)
&rst
ixpk= 1215, nxpk= 10, iat= 179, 237, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 GLU HA 15 GLU HN 3.00 (# 1217:10 Unique 2.85, 2.87 A)
&rst
ixpk= 1217, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ILE HA 15 GLU HN 4.00 (# 1218:10 Unique 3.48, 3.49 A)
&rst
ixpk= 1218, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU HB+ 15 GLU HN 3.00 (# 1219:10 Unique 2.13, 2.63 A)
&rst
ixpk= 1219, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 241, 242,
&end
#
# 15 GLU HB- 15 GLU HN 3.00 (# 1220:10 Unique 2.13, 2.63 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 241, 242,
&end
#
# 13 ARG HB+ 15 GLU HN 5.00 (# 1221:10 Unique 4.33, 4.73 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 198, 199,
&end
#
# 14 ILE QD1 15 GLU HN 5.00 (# 1222:10 Unique 5.33, 6.04 A)
&rst
ixpk= 1222, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 231, 232, 233,
&end
#
# 14 ILE QG2 15 GLU HN 3.00 (# 1223:10 Unique 2.16, 3.46 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 224, 225, 226,
&end
#
# 42 PHE HD 68 MET HN 5.00 (# 1225:10 Unique 3.64, 5.68 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 680, 688,
&end
#
# 0 AMB 10-2:1228 0 AMB 10-1:1228 3.50 (# 1228:10 Double 0.00, 0.00 )
&rst
ixpk= 1228, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1111,1112, 83, 84,
igr2=1116, 124,
&end
#
# 68 MET HG+ 68 MET HN 4.50 (# 1230:10 Unique 1.69, 4.06 A)
&rst
ixpk= 1230, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1123,1124,
&end
#
# 68 MET HB+ 68 MET HN 4.00 (# 1231:10 Unique 2.77, 3.46 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1120,1121,
&end
#
# 8 GLU HB- 9 THR HN 4.00 (# 1232:10 Unique 3.41, 3.97 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 113, 114,
&end
#
# 68 MET HB- 68 MET HN 4.00 (# 1233:10 Unique 2.77, 3.46 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1120,1121,
&end
#
# 67 GLY HA- 68 MET HN 3.50 (# 1234:10 Unique 2.17, 2.93 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1111,1112,
&end
#
# 71 ASP HN 72 ASP HN 3.50 (# 1241:10 Unique 2.54, 2.72 A)
&rst
ixpk= 1241, nxpk= 10, iat=1157,1169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 GLU HN 72 ASP HN 3.60 (# 1242:10 Unique 2.45, 2.85 A)
&rst
ixpk= 1242, nxpk= 10, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 73 GLU HA 72 ASP HN 6.10 (# 1243:10 Unique 5.02, 5.18 A)
&rst
ixpk= 1243, nxpk= 10, iat=1183,1169, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 70 PRO HA 72 ASP HN 4.00 (# 1244:10 Unique 3.82, 3.93 A)
&rst
ixpk= 1244, nxpk= 10, iat=1153,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ASP HA 72 ASP HN 3.00 (# 1245:10 Unique 2.77, 2.89 A)
&rst
ixpk= 1245, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 ASP HA 72 ASP HN 4.00 (# 1246:10 Unique 3.28, 3.41 A)
&rst
ixpk= 1246, nxpk= 10, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ASP HB+ 72 ASP HN 3.50 (# 1247:10 Unique 2.56, 3.20 A)
&rst
ixpk= 1247, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1173,1174,
&end
#
# 72 ASP HB- 72 ASP HN 3.60 (# 1248:10 Unique 2.56, 3.20 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1173,1174,
&end
#
# 70 PRO HB+ 72 ASP HN 3.50 (# 1249:10 Unique 2.20, 3.11 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1150,1151,
&end
#
# 0 AMB 10-2:1250 72 ASP HN 5.60 (# 1250:10 Single 0.00, 0.00 )
&rst
ixpk= 1250, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1188,1189,1185,1186,
&end
#
# 0 AMB 10-2:1251 72 ASP HN 3.80 (# 1251:10 Single 0.00, 0.00 )
&rst
ixpk= 1251, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1150,1151,1161,1162,
&end
#
# 124 TYR HD 125 LYS HN 4.80 (# 1253:10 Unique 1.88, 3.26 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1963,1972,
&end
#
# 124 TYR HA 125 LYS HN 5.00 (# 1255:10 Unique 2.89, 3.34 A)
&rst
ixpk= 1255, nxpk= 10, iat=1957,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 TYR HB- 125 LYS HN 4.60 (# 1257:10 Unique 1.60, 3.11 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1959,1960,
&end
#
# 123 GLY HN 122 ARG HN 3.50 (# 1259:10 Unique 2.66, 2.82 A)
&rst
ixpk= 1259, nxpk= 10, iat=1948,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG HA 122 ARG HN 3.50 (# 1264:10 Unique 2.75, 2.85 A)
&rst
ixpk= 1264, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 GLY HA- 122 ARG HN 5.40 (# 1265:10 Unique 4.85, 5.15 A)
&rst
ixpk= 1265, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1950,1951,
&end
#
# 122 ARG HD+ 122 ARG HN 5.00 (# 1266:10 Unique 2.64, 4.67 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1934,1935,
&end
#
# 121 ALA MB 122 ARG HN 3.00 (# 1267:10 Unique 2.35, 3.41 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 122 ARG HB+ 122 ARG HN 3.00 (# 1269:10 Unique 2.07, 2.64 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 122 ARG HB- 122 ARG HN 3.00 (# 1270:10 Unique 2.07, 2.64 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 67 GLY HN 68 MET HN 4.20 (# 1271:10 Unique 1.83, 3.33 A)
&rst
ixpk= 1271, nxpk= 10, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 78 MET HA 78 MET HN 3.50 (# 1275:10 Unique 2.84, 2.88 A)
&rst
ixpk= 1275, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASP HB- 78 MET HN 4.00 (# 1276:10 Unique 2.49, 3.43 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1252,1253,
&end
#
# 0 AMB 10-2:1277 78 MET HN 5.00 (# 1277:10 Single 0.00, 0.00 )
&rst
ixpk= 1277, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 116 TRP HZ2 78 MET HN 3.50 (# 1278:10 Unique 2.28, 2.99 A)
&rst
ixpk= 1278, nxpk= 10, iat=1820,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASP HA 78 MET HN 2.80 (# 1280:10 Unique 2.16, 2.26 A)
&rst
ixpk= 1280, nxpk= 10, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 MET HG- 78 MET HN 3.50 (# 1281:10 Unique 1.95, 3.05 A)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1267,1268,
&end
#
# 0 AMB 10-2:1283 82 VAL HN 4.00 (# 1283:10 Single 0.00, 0.00 )
&rst
ixpk= 1283, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1474,1509,
&end
#
# 0 AMB 10-2:1284 82 VAL HN 5.00 (# 1284:10 Single 0.00, 0.00 )
&rst
ixpk= 1284, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1314,1495,
&end
#
# 82 VAL HA 82 VAL HN 3.50 (# 1285:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1285, nxpk= 10, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 THR HA 82 VAL HN 4.00 (# 1286:10 Unique 2.97, 3.20 A)
&rst
ixpk= 1286, nxpk= 10, iat=1497,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 GLU HA 82 VAL HN 2.80 (# 1287:10 Unique 2.14, 2.16 A)
&rst
ixpk= 1287, nxpk= 10, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLU HG- 82 VAL HN 5.40 (# 1290:10 Unique 4.03, 4.63 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1321,1322,
&end
#
# 83 ALA MB 82 VAL HN 5.50 (# 1291:10 Unique 5.44, 6.33 A)
&rst
ixpk= 1291, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1349,1350,1351,
&end
#
# 94 THR MG2 82 VAL HN 5.00 (# 1292:10 Unique 4.21, 5.40 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1501,1502,1503,
&end
#
# 0 AMB 10-2:1293 82 VAL HN 5.00 (# 1293:10 Single 0.00, 0.00 )
&rst
ixpk= 1293, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 82 VAL MGY 82 VAL HN 4.00 (# 1294:10 Unique 2.05, 3.72 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL MGX 82 VAL HN 3.00 (# 1295:10 Unique 2.05, 3.72 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 78 MET ME 78 MET HN 4.50 (# 1297:10 Unique 2.47, 4.10 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1271,1272,1273,
&end
#
# 0 AMB 10-2:1298 78 MET HN 5.00 (# 1298:10 Single 0.00, 0.00 )
&rst
ixpk= 1298, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1550,1551,1552,1554,1555,1556,1127,1128,1129,
&end
#
# 78 MET HB- 78 MET HN 3.50 (# 1299:10 Unique 2.28, 3.10 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1264,1265,
&end
#
# 0 AMB 10-2:1300 78 MET HN 5.00 (# 1300:10 Single 0.00, 0.00 )
&rst
ixpk= 1300, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1826,1965,1970,
&end
#
# 78 MET HB+ 78 MET HN 3.50 (# 1301:10 Unique 2.28, 3.10 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1264,1265,
&end
#
# 0 AMB 10-2:1302 94 THR HN 4.00 (# 1302:10 Single 0.00, 0.00 )
&rst
ixpk= 1302, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1509,1474,
&end
#
# 0 AMB 10-2:1303 94 THR HN 5.00 (# 1303:10 Single 0.00, 0.00 )
&rst
ixpk= 1303, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1482,1491,1287,1292,
&end
#
# 0 AMB 10-2:1304 94 THR HN 4.50 (# 1304:10 Single 0.00, 0.00 )
&rst
ixpk= 1304, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 787,1285,1294,
&end
#
# 94 THR HA 94 THR HN 3.50 (# 1305:10 Unique 2.93, 2.95 A)
&rst
ixpk= 1305, nxpk= 10, iat=1497,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HA 94 THR HN 2.80 (# 1306:10 Unique 2.21, 2.45 A)
&rst
ixpk= 1306, nxpk= 10, iat=1476,1495, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 THR HB 94 THR HN 3.00 (# 1309:10 Unique 2.95, 3.06 A)
&rst
ixpk= 1309, nxpk= 10, iat=1499,1495, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 TYR HB+ 94 THR HN 4.00 (# 1310:10 Unique 2.40, 2.84 A)
&rst
ixpk= 1310, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1478,1479,
&end
#
# 93 TYR HB- 94 THR HN 3.00 (# 1311:10 Unique 2.40, 2.84 A)
&rst
ixpk= 1311, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1478,1479,
&end
#
# 0 AMB 10-2:1312 94 THR HN 4.00 (# 1312:10 Single 0.00, 0.00 )
&rst
ixpk= 1312, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1501,1502,1503,1526,1527,
&end
#
# 82 VAL MGX 94 THR HN 5.00 (# 1313:10 Unique 4.75, 7.00 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 2 ALA HA 3 SER HN 5.00 (# 1315:10 Unique 2.15, 2.50 A)
&rst
ixpk= 1315, nxpk= 10, iat= 23, 31, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1316 120 LEU HN 2.80 (# 1316:10 Single 0.00, 0.00 )
&rst
ixpk= 1316, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1914,1871,
&end
#
# 119 TRP HD1 120 LEU HN 3.50 (# 1317:10 Unique 2.50, 2.70 A)
&rst
ixpk= 1317, nxpk= 10, iat=1879,1895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 TRP HA 120 LEU HN 4.00 (# 1318:10 Unique 3.42, 3.45 A)
&rst
ixpk= 1318, nxpk= 10, iat=1873,1895, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 LEU HA 120 LEU HN 3.00 (# 1319:10 Unique 2.88, 2.91 A)
&rst
ixpk= 1319, nxpk= 10, iat=1897,1895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 ALA MB 120 LEU HN 4.20 (# 1320:10 Unique 4.08, 4.95 A)
&rst
ixpk= 1320, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1918,1919,1920,
&end
#
# 120 LEU HB- 120 LEU HN 3.00 (# 1321:10 Unique 2.11, 2.67 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 0 AMB 10-2:1322 120 LEU HN 5.00 (# 1322:10 Single 0.00, 0.00 )
&rst
ixpk= 1322, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 33 TYR HN 34 TYR HN 3.50 (# 1323:10 Unique 2.81, 2.94 A)
&rst
ixpk= 1323, nxpk= 10, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 34 TYR HN 3.50 (# 1324:10 Unique 2.99, 3.06 A)
&rst
ixpk= 1324, nxpk= 10, iat= 560, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 TYR HD 34 TYR HN 4.00 (# 1325:10 Unique 1.98, 3.56 A)
&rst
ixpk= 1325, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 547, 556,
&end
#
# 0 AMB 10-2:1326 34 TYR HN 4.80 (# 1326:10 Single 0.00, 0.00 )
&rst
ixpk= 1326, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 549, 554, 528, 533,
&end
#
# 33 TYR HD 34 TYR HN 4.00 (# 1327:10 Unique 3.44, 4.11 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 526, 535,
&end
#
# 30 MET HA 34 TYR HN 4.00 (# 1328:10 Unique 3.62, 3.90 A)
&rst
ixpk= 1328, nxpk= 10, iat= 472, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 TYR HA 34 TYR HN 3.50 (# 1329:10 Unique 2.68, 2.71 A)
&rst
ixpk= 1329, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TYR HA 34 TYR HN 4.00 (# 1330:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1330, nxpk= 10, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 TYR HB+ 34 TYR HN 3.00 (# 1331:10 Unique 2.24, 2.93 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 543, 544,
&end
#
# 34 TYR HB- 34 TYR HN 3.00 (# 1332:10 Unique 2.24, 2.93 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 543, 544,
&end
#
# 33 TYR HB+ 34 TYR HN 4.40 (# 1333:10 Unique 2.27, 3.09 A)
&rst
ixpk= 1333, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 522, 523,
&end
#
# 0 AMB 10-2:1334 34 TYR HN 6.00 (# 1334:10 Single 0.00, 0.00 )
&rst
ixpk= 1334, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 474, 475, 604, 605,1123,1124,
&end
#
# 30 MET ME 34 TYR HN 6.00 (# 1335:10 Unique 5.56, 6.50 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 481, 482, 483,
&end
#
# 0 AMB 10-2:1336 39 THR HN 4.00 (# 1336:10 Single 0.00, 0.00 )
&rst
ixpk= 1336, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 583, 640,
&end
#
# 40 LEU MDX 39 THR HN 6.00 (# 1337:10 Unique 4.02, 5.94 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HN 39 THR HN 3.00 (# 1338:10 Unique 2.24, 2.58 A)
&rst
ixpk= 1338, nxpk= 10, iat= 638, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 ASP HA 39 THR HN 4.00 (# 1340:10 Unique 3.47, 3.52 A)
&rst
ixpk= 1340, nxpk= 10, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR HA 39 THR HN 3.50 (# 1341:10 Unique 2.83, 2.87 A)
&rst
ixpk= 1341, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HB 39 THR HN 3.00 (# 1342:10 Unique 2.30, 2.38 A)
&rst
ixpk= 1342, nxpk= 10, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 ASP HB+ 39 THR HN 3.80 (# 1343:10 Unique 2.47, 3.29 A)
&rst
ixpk= 1343, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 616, 617,
&end
#
# 38 ASP HB- 39 THR HN 3.80 (# 1344:10 Unique 2.47, 3.29 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 616, 617,
&end
#
# 112 ALA MB 39 THR HN 5.00 (# 1345:10 Unique 5.45, 5.99 A)
&rst
ixpk= 1345, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 40 LEU MDY 39 THR HN 6.00 (# 1346:10 Unique 4.02, 5.94 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 10-2:1348 57 THR HN 4.50 (# 1348:10 Single 0.00, 0.00 )
&rst
ixpk= 1348, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 946, 935,
&end
#
# 74 CYS HA 76 LYS HN 4.60 (# 1350:10 Unique 3.07, 3.24 A)
&rst
ixpk= 1350, nxpk= 10, iat=1198,1226, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 76 LYS HB+ 76 LYS HN 4.00 (# 1351:10 Unique 2.99, 3.61 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1230,1231,
&end
#
# 77 ASP HN 76 LYS HN 2.80 (# 1352:10 Unique 1.76, 1.99 A)
&rst
ixpk= 1352, nxpk= 10, iat=1248,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HN 76 LYS HN 2.80 (# 1353:10 Unique 1.75, 2.00 A)
&rst
ixpk= 1353, nxpk= 10, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 LYS HA 76 LYS HN 3.50 (# 1355:10 Unique 2.80, 2.88 A)
&rst
ixpk= 1355, nxpk= 10, iat=1228,1226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HA 76 LYS HN 4.00 (# 1357:10 Unique 3.03, 3.24 A)
&rst
ixpk= 1357, nxpk= 10, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1358 76 LYS HN 4.00 (# 1358:10 Single 0.00, 0.00 )
&rst
ixpk= 1358, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1230,1231,1211,1212,
&end
#
# 0 AMB 10-2:1359 76 LYS HN 5.30 (# 1359:10 Single 0.00, 0.00 )
&rst
ixpk= 1359, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1214, 481, 482, 483,
&end
#
# 0 AMB 10-2:1360 76 LYS HN 3.00 (# 1360:10 Single 0.00, 0.00 )
&rst
ixpk= 1360, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1233,1234,1211,1212,
&end
#
# 29 ALA MB 76 LYS HN 3.80 (# 1361:10 Unique 2.06, 3.14 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 464, 465, 466,
&end
#
# 29 ALA HN 30 MET HN 3.00 (# 1363:10 Unique 2.63, 2.69 A)
&rst
ixpk= 1363, nxpk= 10, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 MET HA 30 MET HN 3.50 (# 1364:10 Unique 2.79, 2.80 A)
&rst
ixpk= 1364, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1365 30 MET HN 4.00 (# 1365:10 Single 0.00, 0.00 )
&rst
ixpk= 1365, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 423, 408,
&end
#
# 30 MET HB+ 30 MET HN 3.50 (# 1367:10 Unique 2.52, 3.09 A)
&rst
ixpk= 1367, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 474, 475,
&end
#
# 0 AMB 10-2:1368 30 MET HN 4.00 (# 1368:10 Single 0.00, 0.00 )
&rst
ixpk= 1368, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 462, 522, 523,
&end
#
# 30 MET HB- 30 MET HN 3.80 (# 1369:10 Unique 2.52, 3.09 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 474, 475,
&end
#
# 30 MET HG+ 30 MET HN 3.50 (# 1370:10 Unique 1.92, 2.81 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 477, 478,
&end
#
# 30 MET HG- 30 MET HN 3.50 (# 1371:10 Unique 1.92, 2.81 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 477, 478,
&end
#
# 30 MET ME 30 MET HN 3.80 (# 1372:10 Unique 2.31, 3.27 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 481, 482, 483,
&end
#
# 29 ALA MB 30 MET HN 3.00 (# 1373:10 Unique 2.75, 3.57 A)
&rst
ixpk= 1373, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 464, 465, 466,
&end
#
# 85 ILE HN 86 GLY HN 4.00 (# 1376:10 Unique 3.31, 3.44 A)
&rst
ixpk= 1376, nxpk= 10, iat=1367,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLY HN 86 GLY HN 2.80 (# 1377:10 Unique 1.84, 1.88 A)
&rst
ixpk= 1377, nxpk= 10, iat=1393,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ASP HA 86 GLY HN 4.00 (# 1378:10 Unique 3.93, 4.05 A)
&rst
ixpk= 1378, nxpk= 10, iat=1357,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ILE HA 86 GLY HN 3.50 (# 1380:10 Unique 2.61, 2.64 A)
&rst
ixpk= 1380, nxpk= 10, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLY HA+ 86 GLY HN 3.00 (# 1381:10 Unique 2.71, 2.81 A)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1388,1389,
&end
#
# 0 AMB 10-2:1382 86 GLY HN 5.00 (# 1382:10 Single 0.00, 0.00 )
&rst
ixpk= 1382, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
&end
#
# 65 VAL HN 44 PHE HN 3.50 (# 1383:10 Unique 2.61, 2.89 A)
&rst
ixpk= 1383, nxpk= 10, iat=1074, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HN 44 PHE HN 5.00 (# 1384:10 Unique 4.07, 4.16 A)
&rst
ixpk= 1384, nxpk= 10, iat= 726, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HD 44 PHE HN 4.00 (# 1385:10 Unique 2.96, 3.99 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 714, 722,
&end
#
# 43 PRO HA 44 PHE HN 2.80 (# 1386:10 Unique 2.24, 2.28 A)
&rst
ixpk= 1386, nxpk= 10, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 PHE HA 44 PHE HN 3.50 (# 1388:10 Unique 2.86, 2.87 A)
&rst
ixpk= 1388, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PHE HA 44 PHE HN 3.50 (# 1389:10 Unique 2.76, 2.89 A)
&rst
ixpk= 1389, nxpk= 10, iat= 674, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 PHE HB- 44 PHE HN 4.00 (# 1391:10 Unique 3.06, 3.63 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 710, 711,
&end
#
# 42 PHE HB- 44 PHE HN 5.50 (# 1392:10 Unique 4.06, 4.72 A)
&rst
ixpk= 1392, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 42 PHE HB+ 44 PHE HN 5.50 (# 1393:10 Unique 4.06, 4.72 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 43 PRO HB+ 44 PHE HN 3.80 (# 1394:10 Unique 2.81, 3.29 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 699, 700,
&end
#
# 43 PRO HB- 44 PHE HN 3.80 (# 1395:10 Unique 2.81, 3.29 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 699, 700,
&end
#
# 65 VAL HB 44 PHE HN 3.50 (# 1396:10 Unique 1.70, 2.08 A)
&rst
ixpk= 1396, nxpk= 10, iat=1078, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU MDX 44 PHE HN 5.00 (# 1397:10 Unique 4.54, 7.00 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1099,1100,1101,1103,1104,1105,
&end
#
# 65 VAL MGX 44 PHE HN 4.00 (# 1398:10 Unique 1.67, 3.95 A)
&rst
ixpk= 1398, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 76 LYS HN 75 LEU HN 2.80 (# 1399:10 Unique 1.75, 2.00 A)
&rst
ixpk= 1399, nxpk= 10, iat=1226,1207, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 ASP HN 75 LEU HN 4.00 (# 1400:10 Unique 2.92, 3.32 A)
&rst
ixpk= 1400, nxpk= 10, iat=1248,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 GLU HN 75 LEU HN 5.60 (# 1401:10 Unique 4.79, 4.95 A)
&rst
ixpk= 1401, nxpk= 10, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 74 CYS HA 75 LEU HN 3.60 (# 1403:10 Unique 2.27, 2.44 A)
&rst
ixpk= 1403, nxpk= 10, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 75 LEU HA 75 LEU HN 3.00 (# 1405:10 Unique 2.28, 2.87 A)
&rst
ixpk= 1405, nxpk= 10, iat=1209,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 CYS HB- 75 LEU HN 5.10 (# 1406:10 Unique 1.88, 4.09 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1200,1201,
&end
#
# 0 AMB 10-2:1407 75 LEU HN 5.60 (# 1407:10 Single 0.00, 0.00 )
&rst
ixpk= 1407, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1230,1231,1188,1189,
&end
#
# 75 LEU HB- 75 LEU HN 4.00 (# 1408:10 Unique 2.48, 3.32 A)
&rst
ixpk= 1408, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 30 MET ME 75 LEU HN 4.30 (# 1409:10 Unique 1.96, 5.06 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 481, 482, 483,
&end
#
# 0 AMB 10-2:1410 75 LEU HN 3.50 (# 1410:10 Single 0.00, 0.00 )
&rst
ixpk= 1410, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1211,1212,1233,1234,
&end
#
# 29 ALA MB 75 LEU HN 4.40 (# 1411:10 Unique 1.93, 3.65 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 464, 465, 466,
&end
#
# 75 LEU MDX 75 LEU HN 4.00 (# 1412:10 Unique 3.49, 4.88 A)
&rst
ixpk= 1412, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 64 GLU HG- 44 PHE HN 4.00 (# 1416:10 Unique 2.91, 4.24 A)
&rst
ixpk= 1416, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1066,1067,
&end
#
# 40 LEU MDX 38 ASP HN 6.00 (# 1419:10 Unique 5.64, 7.06 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HN 38 ASP HN 5.00 (# 1420:10 Unique 4.00, 4.37 A)
&rst
ixpk= 1420, nxpk= 10, iat= 638, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HA 38 ASP HN 3.00 (# 1422:10 Unique 2.73, 2.78 A)
&rst
ixpk= 1422, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1423 38 ASP HN 4.00 (# 1423:10 Single 0.00, 0.00 )
&rst
ixpk= 1423, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 562, 602,
&end
#
# 39 THR HA 38 ASP HN 6.00 (# 1424:10 Unique 5.19, 5.35 A)
&rst
ixpk= 1424, nxpk= 10, iat= 626, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 THR HB 38 ASP HN 5.00 (# 1426:10 Unique 4.79, 4.89 A)
&rst
ixpk= 1426, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HB+ 38 ASP HN 3.00 (# 1428:10 Unique 2.20, 2.54 A)
&rst
ixpk= 1428, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 616, 617,
&end
#
# 0 AMB 10-2:1429 38 ASP HN 3.00 (# 1429:10 Single 0.00, 0.00 )
&rst
ixpk= 1429, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 616, 617, 604, 605,
&end
#
# 37 ASP HB- 38 ASP HN 4.00 (# 1430:10 Unique 2.46, 3.32 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:1431 38 ASP HN 5.00 (# 1431:10 Single 0.00, 0.00 )
&rst
ixpk= 1431, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 37 ASP HN 38 ASP HN 3.00 (# 1432:10 Unique 2.56, 2.68 A)
&rst
ixpk= 1432, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 VAL HN 19 ILE HN 4.00 (# 1435:10 Unique 1.87, 2.20 A)
&rst
ixpk= 1435, nxpk= 10, iat= 319, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ILE HN 19 ILE HN 3.40 (# 1436:10 Unique 2.04, 2.44 A)
&rst
ixpk= 1436, nxpk= 10, iat= 281, 300, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 19 ILE HA 19 ILE HN 3.90 (# 1437:10 Unique 2.85, 2.92 A)
&rst
ixpk= 1437, nxpk= 10, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 0 AMB 10-2:1438 19 ILE HN 4.60 (# 1438:10 Single 0.00, 0.00 )
&rst
ixpk= 1438, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 239, 496,
&end
#
# 19 ILE HB 19 ILE HN 4.40 (# 1439:10 Unique 3.29, 3.52 A)
&rst
ixpk= 1439, nxpk= 10, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 ILE HG1- 19 ILE HN 3.40 (# 1440:10 Unique 1.82, 2.66 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:1441 19 ILE HN 3.40 (# 1441:10 Single 0.00, 0.00 )
&rst
ixpk= 1441, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 310, 311, 285,
&end
#
# 19 ILE QD1 19 ILE HN 3.90 (# 1442:10 Unique 1.89, 3.12 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 313, 314, 315,
&end
#
# 19 ILE QG2 19 ILE HN 4.40 (# 1443:10 Unique 2.69, 3.95 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 306, 307, 308,
&end
#
# 18 ILE QG2 19 ILE HN 4.40 (# 1444:10 Unique 2.49, 3.81 A)
&rst
ixpk= 1444, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 287, 288, 289,
&end
#
# 14 ILE HA 19 ILE HN 5.90 (# 1445:10 Unique 4.61, 5.20 A)
&rst
ixpk= 1445, nxpk= 10, iat= 220, 300, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 0 AMB 10-2:1446 19 ILE HN 7.00 (# 1446:10 Single 0.00, 0.00 )
&rst
ixpk= 1446, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331, 291, 292,
&end
#
# 18 ILE QD1 19 ILE HN 6.40 (# 1447:10 Unique 4.32, 5.46 A)
&rst
ixpk= 1447, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 294, 295, 296,
&end
#
# 97 LEU HN 80 VAL HN 5.00 (# 1449:10 Unique 3.49, 4.13 A)
&rst
ixpk= 1449, nxpk= 10, iat=1541,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HA 80 VAL HN 3.00 (# 1451:10 Unique 2.28, 2.46 A)
&rst
ixpk= 1451, nxpk= 10, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL HA 80 VAL HN 3.50 (# 1452:10 Unique 2.90, 2.91 A)
&rst
ixpk= 1452, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 ALA HA 80 VAL HN 4.70 (# 1453:10 Unique 2.63, 3.03 A)
&rst
ixpk= 1453, nxpk= 10, iat=1511,1298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 0 AMB 10-2:1455 80 VAL HN 4.10 (# 1455:10 Single 0.00, 0.00 )
&rst
ixpk= 1455, nxpk= 10, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1281,1282,1281,1282,
&end
#
# 94 THR MG2 80 VAL HN 3.50 (# 1457:10 Unique 3.05, 4.10 A)
&rst
ixpk= 1457, nxpk= 10, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1501,1502,1503,
&end
#
# 80 VAL MGY 80 VAL HN 4.00 (# 1458:10 Unique 2.42, 3.61 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL MGX 80 VAL HN 3.00 (# 1459:10 Unique 2.42, 3.61 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 10-2:1460 80 VAL HN 5.00 (# 1460:10 Single 0.00, 0.00 )
&rst
ixpk= 1460, nxpk= 10, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1513,1514,1515,1596,1597,1598,
&end
#
# 113 ILE QG2 110 GLN HE2+ 5.50 (# 1461:10 Unique 2.45, 4.87 A)
&rst
ixpk= 1461, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1772,1773,1774,
igr2=1736,1737,
&end
#
# 107 ASP HA 110 GLN HE2+ 6.60 (# 1464:10 Unique 5.71, 6.91 A)
&rst
ixpk= 1464, nxpk= 10, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1736,1737,
&end
#
# 110 GLN HA 110 GLN HE2+ 4.00 (# 1465:10 Unique 1.95, 3.11 A)
&rst
ixpk= 1465, nxpk= 10, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1736,1737,
&end
#
# 110 GLN HG+ 110 GLN HE2+ 4.00 (# 1466:10 Unique 2.28, 3.37 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1731,1732,
igr2=1736,1737,
&end
#
# 113 ILE HG1+ 110 GLN HE2+ 5.00 (# 1467:10 Unique 4.30, 5.90 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1776,1777,
igr2=1736,1737,
&end
#
# 113 ILE HB 110 GLN HE2+ 4.00 (# 1468:10 Unique 2.21, 3.27 A)
&rst
ixpk= 1468, nxpk= 10, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1736,1737,
&end
#
# 114 ALA MB 110 GLN HE2+ 4.00 (# 1469:10 Unique 1.92, 3.34 A)
&rst
ixpk= 1469, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1789,1790,1791,
igr2=1736,1737,
&end
#
# 102 ALA MB 110 GLN HE2+ 5.50 (# 1471:10 Unique 3.26, 5.00 A)
&rst
ixpk= 1471, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1621,1622,1623,
igr2=1736,1737,
&end
#
# 105 VAL MGX 110 GLN HE2+ 4.00 (# 1472:10 Unique 4.68, 7.16 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1736,1737,
&end
#
# 110 GLN HA 110 GLN HE2- 3.50 (# 1474:10 Unique 1.95, 3.11 A)
&rst
ixpk= 1474, nxpk= 10, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1736,1737,
&end
#
# 110 GLN HG+ 110 GLN HE2- 4.00 (# 1475:10 Unique 2.28, 3.37 A)
&rst
ixpk= 1475, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1731,1732,
igr2=1736,1737,
&end
#
# 114 ALA MB 110 GLN HE2- 4.00 (# 1476:10 Unique 1.92, 3.34 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1789,1790,1791,
igr2=1736,1737,
&end
#
# 102 ALA MB 110 GLN HE2- 5.50 (# 1477:10 Unique 3.26, 5.00 A)
&rst
ixpk= 1477, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1621,1622,1623,
igr2=1736,1737,
&end
#
# 113 ILE QG2 110 GLN HE2- 5.50 (# 1478:10 Unique 2.45, 4.87 A)
&rst
ixpk= 1478, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1772,1773,1774,
igr2=1736,1737,
&end
#
# 105 VAL MGX 110 GLN HE2- 5.50 (# 1479:10 Unique 4.68, 7.16 A)
&rst
ixpk= 1479, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1736,1737,
&end
#
# 32 TRP HN 31 GLY HN 3.50 (# 1484:10 Unique 2.81, 2.88 A)
&rst
ixpk= 1484, nxpk= 10, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLY HA+ 31 GLY HN 3.00 (# 1486:10 Unique 2.29, 2.55 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 489, 490,
&end
#
# 28 ARG HA 31 GLY HN 4.50 (# 1487:10 Unique 3.61, 3.79 A)
&rst
ixpk= 1487, nxpk= 10, iat= 438, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 GLY HA- 31 GLY HN 3.00 (# 1488:10 Unique 2.29, 2.55 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 489, 490,
&end
#
# 30 MET HB- 31 GLY HN 3.50 (# 1489:10 Unique 2.22, 2.87 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 474, 475,
&end
#
# 30 MET HG+ 31 GLY HN 4.20 (# 1490:10 Unique 3.92, 4.36 A)
&rst
ixpk= 1490, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 477, 478,
&end
#
# 30 MET HG- 31 GLY HN 5.00 (# 1491:10 Unique 3.92, 4.36 A)
&rst
ixpk= 1491, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 477, 478,
&end
#
# 30 MET ME 31 GLY HN 6.00 (# 1492:10 Unique 4.57, 5.63 A)
&rst
ixpk= 1492, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 481, 482, 483,
&end
#
# 22 ALA MB 31 GLY HN 4.60 (# 1493:10 Unique 3.05, 3.58 A)
&rst
ixpk= 1493, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 351, 352, 353,
&end
#
# 29 ALA MB 31 GLY HN 5.00 (# 1494:10 Unique 5.32, 5.91 A)
&rst
ixpk= 1494, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 464, 465, 466,
&end
#
# 104 ASP HN 105 VAL HN 3.00 (# 1495:10 Unique 2.51, 2.74 A)
&rst
ixpk= 1495, nxpk= 10, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ASP HN 105 VAL HN 5.00 (# 1496:10 Unique 4.38, 4.44 A)
&rst
ixpk= 1496, nxpk= 10, iat=1674,1658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 ASP HA 105 VAL HN 3.00 (# 1497:10 Unique 2.61, 2.74 A)
&rst
ixpk= 1497, nxpk= 10, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 ILE HA 105 VAL HN 4.00 (# 1498:10 Unique 3.44, 3.87 A)
&rst
ixpk= 1498, nxpk= 10, iat=1629,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASP HB+ 105 VAL HN 4.80 (# 1499:10 Unique 4.19, 4.40 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1650,1651,
&end
#
# 105 VAL MGX 105 VAL HN 3.30 (# 1500:10 Unique 2.34, 3.31 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 104 ASP HB- 105 VAL HN 5.00 (# 1502:10 Unique 4.19, 4.40 A)
&rst
ixpk= 1502, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1650,1651,
&end
#
# 0 AMB 10-2:1503 105 VAL HN 4.00 (# 1503:10 Single 0.00, 0.00 )
&rst
ixpk= 1503, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1662,1728,1729,
&end
#
# 102 ALA MB 105 VAL HN 4.50 (# 1504:10 Unique 3.93, 5.08 A)
&rst
ixpk= 1504, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1621,1622,1623,
&end
#
# 103 ILE QG2 105 VAL HN 5.00 (# 1505:10 Unique 4.63, 5.76 A)
&rst
ixpk= 1505, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1633,1634,1635,
&end
#
# 98 SER HA 98 SER HN 3.50 (# 1510:10 Unique 2.81, 2.85 A)
&rst
ixpk= 1510, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1512 98 SER HN 4.00 (# 1512:10 Single 0.00, 0.00 )
&rst
ixpk= 1512, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1543,1521,
&end
#
# 97 LEU HB+ 98 SER HN 3.80 (# 1513:10 Unique 2.74, 3.31 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1545,1546,
&end
#
# 0 AMB 10-2:1514 98 SER HN 5.00 (# 1514:10 Single 0.00, 0.00 )
&rst
ixpk= 1514, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310,
&end
#
# 86 GLY HN 87 GLY HN 3.00 (# 1517:10 Unique 1.84, 1.88 A)
&rst
ixpk= 1517, nxpk= 10, iat=1386,1393, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 LYS HN 87 GLY HN 3.50 (# 1518:10 Unique 2.71, 2.90 A)
&rst
ixpk= 1518, nxpk= 10, iat=1400,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1519 87 GLY HN 4.00 (# 1519:10 Single 0.00, 0.00 )
&rst
ixpk= 1519, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1422,1367,
&end
#
# 84 ASP HA 87 GLY HN 4.00 (# 1521:10 Unique 3.88, 4.00 A)
&rst
ixpk= 1521, nxpk= 10, iat=1357,1393, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLY HA- 87 GLY HN 3.00 (# 1523:10 Unique 2.32, 2.62 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1395,1396,
&end
#
# 86 GLY HA+ 87 GLY HN 3.00 (# 1524:10 Unique 2.93, 3.24 A)
&rst
ixpk= 1524, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1388,1389,
&end
#
# 87 GLY HA+ 87 GLY HN 3.00 (# 1525:10 Unique 2.32, 2.62 A)
&rst
ixpk= 1525, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1395,1396,
&end
#
# 84 ASP HB+ 87 GLY HN 4.00 (# 1526:10 Unique 2.13, 3.32 A)
&rst
ixpk= 1526, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1359,1360,
&end
#
# 99 ASP HN 98 SER HN 3.00 (# 1527:10 Unique 2.34, 2.49 A)
&rst
ixpk= 1527, nxpk= 10, iat=1571,1560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1530 98 SER HN 6.00 (# 1530:10 Single 0.00, 0.00 )
&rst
ixpk= 1530, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1833,1768,
&end
#
# 96 LYS HB+ 98 SER HN 5.00 (# 1531:10 Unique 4.11, 4.57 A)
&rst
ixpk= 1531, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1523,1524,
&end
#
# 0 AMB 10-2:1532 98 SER HN 4.00 (# 1532:10 Single 0.00, 0.00 )
&rst
ixpk= 1532, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1550,1551,1552,1554,1555,1556,1523,1524,
&end
#
# 0 AMB 10-2:1533 98 SER HN 4.00 (# 1533:10 Single 0.00, 0.00 )
&rst
ixpk= 1533, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1545,1546,1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 10-2:1534 98 SER HN 5.00 (# 1534:10 Single 0.00, 0.00 )
&rst
ixpk= 1534, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1589,1590,1591,1264,1265,1548,
&end
#
# 0 AMB 10-2:1535 98 SER HN 4.00 (# 1535:10 Single 0.00, 0.00 )
&rst
ixpk= 1535, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,1304,1305,1306,1308,1309,1310,
&end
#
# 45 MET HA 46 GLY HN 2.80 (# 1540:10 Unique 2.18, 2.24 A)
&rst
ixpk= 1540, nxpk= 10, iat= 728, 743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 GLY HA- 46 GLY HN 3.50 (# 1541:10 Unique 2.58, 2.77 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 46 GLY HA+ 46 GLY HN 3.50 (# 1543:10 Unique 2.58, 2.77 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 45 MET HG+ 46 GLY HN 5.00 (# 1544:10 Unique 3.18, 4.09 A)
&rst
ixpk= 1544, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 733, 734,
&end
#
# 45 MET HB- 46 GLY HN 4.20 (# 1545:10 Unique 2.96, 3.72 A)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 730, 731,
&end
#
# 0 AMB 10-2:1546 46 GLY HN 3.50 (# 1546:10 Single 0.00, 0.00 )
&rst
ixpk= 1546, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 737, 738, 739, 730, 731,
&end
#
# 62 THR MG2 46 GLY HN 5.00 (# 1548:10 Unique 4.23, 5.41 A)
&rst
ixpk= 1548, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1035,1036,1037,
&end
#
# 63 VAL MGX 46 GLY HN 5.60 (# 1550:10 Unique 2.41, 4.91 A)
&rst
ixpk= 1550, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 45 MET HG- 46 GLY HN 4.50 (# 1551:10 Unique 3.18, 4.09 A)
&rst
ixpk= 1551, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 734,
&end
#
# 122 ARG HN 123 GLY HN 3.50 (# 1552:10 Unique 2.66, 2.82 A)
&rst
ixpk= 1552, nxpk= 10, iat=1924,1948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG HA 123 GLY HN 3.80 (# 1553:10 Unique 2.80, 3.19 A)
&rst
ixpk= 1553, nxpk= 10, iat=1926,1948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 124 TYR HN 123 GLY HN 4.20 (# 1556:10 Unique 1.67, 2.92 A)
&rst
ixpk= 1556, nxpk= 10, iat=1955,1948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 123 GLY HA+ 123 GLY HN 3.00 (# 1557:10 Unique 2.29, 2.62 A)
&rst
ixpk= 1557, nxpk= 10, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1950,1951,
&end
#
# 123 GLY HA- 123 GLY HN 3.00 (# 1558:10 Unique 2.29, 2.62 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1950,1951,
&end
#
# 121 ALA MB 123 GLY HN 5.00 (# 1559:10 Unique 4.59, 5.17 A)
&rst
ixpk= 1559, nxpk= 10, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1918,1919,1920,
&end
#
# 0 AMB 10-2:1560 123 GLY HN 4.00 (# 1560:10 Single 0.00, 0.00 )
&rst
ixpk= 1560, nxpk= 10, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1928,1929,1904,1905,1906,1908,1909,1910,
&end
#
# 121 ALA HN 123 GLY HN 4.80 (# 1561:10 Unique 3.92, 4.28 A)
&rst
ixpk= 1561, nxpk= 10, iat=1914,1948, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 121 ALA HA 123 GLY HN 4.20 (# 1562:10 Unique 3.49, 3.80 A)
&rst
ixpk= 1562, nxpk= 10, iat=1916,1948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 THR HA 16 THR HN 3.50 (# 1565:10 Unique 2.91, 2.93 A)
&rst
ixpk= 1565, nxpk= 10, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HN 16 THR HN 3.00 (# 1566:10 Unique 2.47, 2.56 A)
&rst
ixpk= 1566, nxpk= 10, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 GLU HN 16 THR HN 3.50 (# 1567:10 Unique 2.68, 2.80 A)
&rst
ixpk= 1567, nxpk= 10, iat= 266, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 THR HB 16 THR HN 4.00 (# 1570:10 Unique 3.68, 3.71 A)
&rst
ixpk= 1570, nxpk= 10, iat= 256, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU HB+ 16 THR HN 4.00 (# 1571:10 Unique 2.53, 3.36 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 241, 242,
&end
#
# 15 GLU HB- 16 THR HN 4.00 (# 1572:10 Unique 2.53, 3.36 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 241, 242,
&end
#
# 16 THR MG2 16 THR HN 3.00 (# 1573:10 Unique 2.06, 3.08 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 258, 259, 260,
&end
#
# 44 PHE HD 67 GLY HN 6.00 (# 1575:10 Unique 4.87, 6.83 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 714, 722,
&end
#
# 80 VAL MGY 67 GLY HN 5.00 (# 1577:10 Unique 3.36, 4.96 A)
&rst
ixpk= 1577, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 81 GLU HN 67 GLY HN 4.00 (# 1579:10 Unique 3.18, 3.65 A)
&rst
ixpk= 1579, nxpk= 10, iat=1314,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 MET HN 67 GLY HN 4.20 (# 1580:10 Unique 1.83, 3.33 A)
&rst
ixpk= 1580, nxpk= 10, iat=1116,1109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 66 LEU HA 67 GLY HN 4.00 (# 1581:10 Unique 3.19, 3.34 A)
&rst
ixpk= 1581, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 VAL HA 67 GLY HN 4.50 (# 1582:10 Unique 3.37, 3.59 A)
&rst
ixpk= 1582, nxpk= 10, iat=1076,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLY HA+ 67 GLY HN 3.50 (# 1583:10 Unique 2.49, 2.76 A)
&rst
ixpk= 1583, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1111,1112,
&end
#
# 80 VAL HB 67 GLY HN 4.40 (# 1584:10 Unique 2.27, 3.08 A)
&rst
ixpk= 1584, nxpk= 10, iat=1302,1109, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 81 GLU HB+ 67 GLY HN 5.00 (# 1586:10 Unique 3.74, 4.91 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1318,1319,
&end
#
# 67 GLY HA- 67 GLY HN 3.50 (# 1589:10 Unique 2.49, 2.76 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1111,1112,
&end
#
# 0 AMB 10-2:1590 67 GLY HN 4.00 (# 1590:10 Single 0.00, 0.00 )
&rst
ixpk= 1590, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1097,1099,1100,1101,1103,1104,1105,1099,1100,1101,
1103,1104,1105,
&end
#
# 65 VAL MGY 67 GLY HN 3.40 (# 1591:10 Unique 1.83, 3.80 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 65 VAL MGX 67 GLY HN 4.00 (# 1592:10 Unique 1.83, 3.80 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 66 LEU HN 67 GLY HN 3.00 (# 1594:10 Unique 2.00, 2.24 A)
&rst
ixpk= 1594, nxpk= 10, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL HA 67 GLY HN 5.00 (# 1595:10 Unique 4.00, 4.64 A)
&rst
ixpk= 1595, nxpk= 10, iat=1300,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 ARG HB- 6 ARG HN 3.00 (# 1597:10 Unique 2.38, 3.35 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 77, 78,
&end
#
# 0 AMB 10-2:1599 8 GLU HN 4.50 (# 1599:10 Single 0.00, 0.00 )
&rst
ixpk= 1599, nxpk= 10, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 113, 114, 62, 63,
&end
#
# 0 AMB 10-2:1600 0 AMB 10-1:1600 4.50 (# 1600:10 Double 0.00, 0.00 )
&rst
ixpk= 1600, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 99,1476,
igr2= 109,1474,
&end
#
# 95 ALA HN 80 VAL HN 3.00 (# 1602:10 Unique 1.98, 2.28 A)
&rst
ixpk= 1602, nxpk= 10, iat=1509,1298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1603 27 GLU HN 3.00 (# 1603:10 Single 0.00, 0.00 )
&rst
ixpk= 1603, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 406, 436,
&end
#
# 72 ASP HN 73 GLU HN 3.60 (# 1604:10 Unique 2.45, 2.85 A)
&rst
ixpk= 1604, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 124 TYR HE 124 TYR HN 6.50 (# 1605:10 Unique 3.99, 5.10 A)
&rst
ixpk= 1605, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1965,1970,
&end
#
# 124 TYR HD 124 TYR HN 5.00 (# 1606:10 Unique 1.73, 3.41 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1963,1972,
&end
#
# 92 VAL HN 91 ASP HN 5.00 (# 1607:10 Unique 4.52, 4.56 A)
&rst
ixpk= 1607, nxpk= 10, iat=1458,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLU HN 28 ARG HN 3.50 (# 1608:10 Unique 2.81, 2.87 A)
&rst
ixpk= 1608, nxpk= 10, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLY HN 30 MET HN 3.50 (# 1609:10 Unique 2.76, 2.84 A)
&rst
ixpk= 1609, nxpk= 10, iat= 487, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 MET HN 31 GLY HN 3.50 (# 1610:10 Unique 2.76, 2.84 A)
&rst
ixpk= 1610, nxpk= 10, iat= 470, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 PHE HN 125 LYS HN 3.00 (# 1611:10 Unique 1.70, 2.38 A)
&rst
ixpk= 1611, nxpk= 10, iat=1998,1976, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1612 27 GLU HN 3.00 (# 1612:10 Single 0.00, 0.00 )
&rst
ixpk= 1612, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 410, 411, 425, 426,
&end
#
# 126 PHE HN 119 TRP HE1 5.00 (# 1613:10 Unique 5.00, 5.13 A)
&rst
ixpk= 1613, nxpk= 10, iat=1998,1881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 TYR HB- 119 TRP HE1 5.40 (# 1615:10 Unique 1.95, 3.26 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1959,1960,
&end
#
# 5 GLU HN 6 ARG HN 6.00 (# 1620:10 Unique 4.41, 4.47 A)
&rst
ixpk= 1620, nxpk= 10, iat= 58, 73, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ASP HN 6 ARG HN 4.00 (# 1621:10 Unique 1.77, 1.93 A)
&rst
ixpk= 1621, nxpk= 10, iat= 97, 73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 GLU HA 8 GLU HN 3.00 (# 1622:10 Unique 2.28, 2.41 A)
&rst
ixpk= 1622, nxpk= 10, iat= 111, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 THR MG2 9 THR HN 3.70 (# 1623:10 Unique 2.56, 3.45 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 130, 131, 132,
&end
#
# 46 GLY HN 45 MET HN 5.00 (# 1624:10 Unique 4.55, 4.60 A)
&rst
ixpk= 1624, nxpk= 10, iat= 743, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1626 46 GLY HN 4.50 (# 1626:10 Single 0.00, 0.00 )
&rst
ixpk= 1626, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1074, 772,
&end
#
# 44 PHE HN 65 VAL HN 3.50 (# 1627:10 Unique 2.61, 2.89 A)
&rst
ixpk= 1627, nxpk= 10, iat= 706,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 GLU HN 49 LYS HN 4.50 (# 1628:10 Unique 3.65, 3.93 A)
&rst
ixpk= 1628, nxpk= 10, iat=1602, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS HB- 51 LYS HN 4.50 (# 1629:10 Unique 3.14, 3.78 A)
&rst
ixpk= 1629, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 822, 823,
&end
#
# 0 AMB 10-2:1630 57 THR HN 5.50 (# 1630:10 Single 0.00, 0.00 )
&rst
ixpk= 1630, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 950, 951, 952, 925, 926, 927,
&end
#
# 59 GLU HB+ 59 GLU HN 3.50 (# 1631:10 Unique 2.19, 2.90 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 981, 982,
&end
#
# 59 GLU HB- 59 GLU HN 3.80 (# 1632:10 Unique 2.19, 2.90 A)
&rst
ixpk= 1632, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 981, 982,
&end
#
# 112 ALA HN 113 ILE HN 3.50 (# 1634:10 Unique 2.87, 2.96 A)
&rst
ixpk= 1634, nxpk= 10, iat=1756,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ASP HN 36 LEU HN 3.50 (# 1635:10 Unique 2.64, 2.77 A)
&rst
ixpk= 1635, nxpk= 10, iat= 600, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HB 69 ALA HN 5.00 (# 1636:10 Unique 3.85, 4.80 A)
&rst
ixpk= 1636, nxpk= 10, iat=1302,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1640 0 AMB 10-1:1640 4.00 (# 1640:10 Double 0.00, 0.00 )
&rst
ixpk= 1640, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1007,1090,
igr2=1029,1345,
&end
#
# 5 GLU HG+ 5 GLU HN 4.00 (# 1644:10 Unique 2.14, 3.23 A)
&rst
ixpk= 1644, nxpk= 10, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 65, 66,
&end
#
# 4 VAL HN 5 GLU HN 4.20 (# 1645:10 Unique 2.30, 2.61 A)
&rst
ixpk= 1645, nxpk= 10, iat= 42, 58, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 10-2:1648 11 GLU HN 4.00 (# 1648:10 Single 0.00, 0.00 )
&rst
ixpk= 1648, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 65, 66, 65, 66, 166, 167,
&end
#
# 12 HIS HD2 12 HIS HN 4.50 (# 1650:10 Unique 2.10, 3.23 A)
&rst
ixpk= 1650, nxpk= 10, iat= 190, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HN 16 THR HN 6.40 (# 1653:10 Unique 4.21, 4.30 A)
&rst
ixpk= 1653, nxpk= 10, iat= 281, 252, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 15 GLU HB- 17 GLU HN 5.00 (# 1654:10 Unique 4.86, 5.24 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242,
&end
#
# 18 ILE QD1 17 GLU HN 5.40 (# 1655:10 Unique 5.56, 6.27 A)
&rst
ixpk= 1655, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 294, 295, 296,
&end
#
# 19 ILE QD1 18 ILE HN 5.40 (# 1656:10 Unique 3.20, 4.70 A)
&rst
ixpk= 1656, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 313, 314, 315,
&end
#
# 19 ILE QG2 18 ILE HN 6.40 (# 1657:10 Unique 4.89, 6.23 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 306, 307, 308,
&end
#
# 0 AMB 10-2:1658 18 ILE HN 5.40 (# 1658:10 Single 0.00, 0.00 )
&rst
ixpk= 1658, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 273, 274, 222,
&end
#
# 20 VAL HN 18 ILE HN 5.00 (# 1659:10 Unique 2.98, 3.30 A)
&rst
ixpk= 1659, nxpk= 10, iat= 319, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE QD1 20 VAL HN 5.50 (# 1660:10 Unique 1.94, 4.10 A)
&rst
ixpk= 1660, nxpk= 10, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315,
&end
#
# 19 ILE HA 20 VAL HN 5.00 (# 1661:10 Unique 3.41, 3.51 A)
&rst
ixpk= 1661, nxpk= 10, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1664 23 GLU HN 6.60 (# 1664:10 Single 0.00, 0.00 )
&rst
ixpk= 1664, nxpk= 10, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 421, 487,
&end
#
# 26 GLU HB- 26 GLU HN 3.80 (# 1665:10 Unique 2.32, 3.02 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 410, 411,
&end
#
# 0 AMB 10-2:1666 0 AMB 10-1:1666 4.00 (# 1666:10 Double 0.00, 0.00 )
&rst
ixpk= 1666, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1402,1700, 386,
igr2=1434,1741, 421,
&end
#
# 0 AMB 10-2:1667 28 ARG HN 5.40 (# 1667:10 Single 0.00, 0.00 )
&rst
ixpk= 1667, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 391, 392, 394, 395,1211,1212,
&end
#
# 28 ARG HB+ 28 ARG HN 3.00 (# 1668:10 Unique 2.06, 2.73 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 440, 441,
&end
#
# 27 GLU HB+ 28 ARG HN 3.00 (# 1669:10 Unique 2.56, 3.27 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:1670 28 ARG HN 4.60 (# 1670:10 Single 0.00, 0.00 )
&rst
ixpk= 1670, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 428, 429, 304, 413, 414,
&end
#
# 0 AMB 10-2:1671 0 AMB 10-1:1671 4.00 (# 1671:10 Double 0.00, 0.00 )
&rst
ixpk= 1671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 408, 423,
igr2= 406, 436,
&end
#
# 29 ALA MB 28 ARG HN 5.00 (# 1672:10 Unique 4.70, 5.64 A)
&rst
ixpk= 1672, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 464, 465, 466,
&end
#
# 0 AMB 10-2:1673 29 ALA HN 5.00 (# 1673:10 Single 0.00, 0.00 )
&rst
ixpk= 1673, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1271,1272,1273, 410, 411, 425, 426,
&end
#
# 32 TRP HB+ 31 GLY HN 5.00 (# 1674:10 Unique 4.62, 5.44 A)
&rst
ixpk= 1674, nxpk= 10, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 498, 499,
&end
#
# 35 TYR HE 32 TRP HN 5.00 (# 1675:10 Unique 3.67, 6.82 A)
&rst
ixpk= 1675, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 570, 575,
&end
#
# 31 GLY HN 33 TYR HN 5.00 (# 1676:10 Unique 4.18, 4.46 A)
&rst
ixpk= 1676, nxpk= 10, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HB- 33 TYR HN 3.50 (# 1679:10 Unique 2.24, 2.77 A)
&rst
ixpk= 1679, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 498, 499,
&end
#
# 36 LEU HB- 33 TYR HN 5.40 (# 1680:10 Unique 3.95, 4.55 A)
&rst
ixpk= 1680, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 585, 586,
&end
#
# 33 TYR HE 37 ASP HN 6.00 (# 1686:10 Unique 3.65, 5.34 A)
&rst
ixpk= 1686, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 528, 533,
&end
#
# 34 TYR HA 37 ASP HN 4.50 (# 1687:10 Unique 3.85, 4.05 A)
&rst
ixpk= 1687, nxpk= 10, iat= 541, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1690 39 THR HN 4.20 (# 1690:10 Single 0.00, 0.00 )
&rst
ixpk= 1690, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 562, 602,
&end
#
# 0 AMB 10-2:1691 39 THR HN 5.00 (# 1691:10 Single 0.00, 0.00 )
&rst
ixpk= 1691, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 10-2:1692 40 LEU HN 6.00 (# 1692:10 Single 0.00, 0.00 )
&rst
ixpk= 1692, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 680, 688, 716, 720,
&end
#
# 37 ASP HA 40 LEU HN 4.50 (# 1694:10 Unique 3.05, 3.52 A)
&rst
ixpk= 1694, nxpk= 10, iat= 602, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU MDY 40 LEU HN 4.00 (# 1696:10 Unique 2.04, 3.86 A)
&rst
ixpk= 1696, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HN 41 GLU HN 5.00 (# 1698:10 Unique 2.78, 4.45 A)
&rst
ixpk= 1698, nxpk= 10, iat= 638, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 LEU HA 41 GLU HN 3.00 (# 1699:10 Unique 2.25, 2.38 A)
&rst
ixpk= 1699, nxpk= 10, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 GLU HN 42 PHE HN 3.40 (# 1702:10 Unique 2.57, 2.65 A)
&rst
ixpk= 1702, nxpk= 10, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 47 LYS HN 46 GLY HN 5.00 (# 1708:10 Unique 4.26, 4.40 A)
&rst
ixpk= 1708, nxpk= 10, iat= 750, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ILE QD1 46 GLY HN 5.00 (# 1710:10 Unique 3.53, 5.38 A)
&rst
ixpk= 1710, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1640,1641,1642,
&end
#
# 60 GLU HA 49 LYS HN 5.50 (# 1716:10 Unique 4.34, 4.54 A)
&rst
ixpk= 1716, nxpk= 10, iat= 994, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TRP HB+ 49 LYS HN 5.50 (# 1718:10 Unique 4.31, 4.48 A)
&rst
ixpk= 1718, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 776, 777,
&end
#
# 59 GLU HN 50 LYS HN 4.00 (# 1719:10 Unique 2.98, 3.32 A)
&rst
ixpk= 1719, nxpk= 10, iat= 977, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS HN 50 LYS HN 5.50 (# 1720:10 Unique 4.14, 4.51 A)
&rst
ixpk= 1720, nxpk= 10, iat= 840, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TRP HA 50 LYS HN 5.50 (# 1722:10 Unique 5.04, 5.16 A)
&rst
ixpk= 1722, nxpk= 10, iat= 774, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ILE HA 50 LYS HN 5.20 (# 1723:10 Unique 4.16, 4.47 A)
&rst
ixpk= 1723, nxpk= 10, iat= 960, 818, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 50 LYS HN 59 GLU HN 4.00 (# 1728:10 Unique 2.98, 3.32 A)
&rst
ixpk= 1728, nxpk= 10, iat= 818, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 LYS HN 60 GLU HN 5.00 (# 1729:10 Unique 4.31, 4.48 A)
&rst
ixpk= 1729, nxpk= 10, iat=1007, 992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLU HB+ 60 GLU HN 3.50 (# 1730:10 Unique 2.20, 2.97 A)
&rst
ixpk= 1730, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 996, 997,
&end
#
# 60 GLU HN 61 LYS HN 5.00 (# 1731:10 Unique 4.31, 4.48 A)
&rst
ixpk= 1731, nxpk= 10, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 VAL MGY 83 ALA HN 4.80 (# 1732:10 Unique 2.28, 4.95 A)
&rst
ixpk= 1732, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 70 PRO HA 71 ASP HN 3.00 (# 1737:10 Unique 2.23, 2.35 A)
&rst
ixpk= 1737, nxpk= 10, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 GLU HN 71 ASP HN 5.60 (# 1738:10 Unique 4.20, 4.55 A)
&rst
ixpk= 1738, nxpk= 10, iat=1181,1157, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 75 LEU MDY 72 ASP HN 5.50 (# 1739:10 Unique 5.02, 6.51 A)
&rst
ixpk= 1739, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 93 TYR HD 82 VAL HN 5.50 (# 1744:10 Unique 4.27, 5.91 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1491,
&end
#
# 0 AMB 10-2:1748 86 GLY HN 5.00 (# 1748:10 Single 0.00, 0.00 )
&rst
ixpk= 1748, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1371,1404,1405,
&end
#
# 0 AMB 10-2:1749 86 GLY HN 5.00 (# 1749:10 Single 0.00, 0.00 )
&rst
ixpk= 1749, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1377,1378,1407,1408,
&end
#
# 0 AMB 10-2:1750 86 GLY HN 5.00 (# 1750:10 Single 0.00, 0.00 )
&rst
ixpk= 1750, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1377,1378,1035,1036,1037,
&end
#
# 89 ASP HB- 87 GLY HN 5.80 (# 1751:10 Unique 5.10, 6.10 A)
&rst
ixpk= 1751, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1426,1427,
&end
#
# 0 AMB 10-2:1752 87 GLY HN 6.00 (# 1752:10 Single 0.00, 0.00 )
&rst
ixpk= 1752, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1404,1405,1371,1011,1012,
&end
#
# 0 AMB 10-2:1753 87 GLY HN 6.00 (# 1753:10 Single 0.00, 0.00 )
&rst
ixpk= 1753, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1407,1408,1377,1378,
&end
#
# 0 AMB 10-2:1754 87 GLY HN 6.00 (# 1754:10 Single 0.00, 0.00 )
&rst
ixpk= 1754, nxpk= 10, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
&end
#
# 84 ASP HB- 88 LYS HN 4.00 (# 1758:10 Unique 1.95, 2.88 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1359,1360,
&end
#
# 88 LYS HN 89 ASP HN 3.00 (# 1759:10 Unique 1.87, 2.01 A)
&rst
ixpk= 1759, nxpk= 10, iat=1400,1422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 LYS HB+ 90 ASP HN 4.00 (# 1761:10 Unique 2.22, 3.40 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1404,1405,
&end
#
# 84 ASP HN 92 VAL HN 5.50 (# 1762:10 Unique 4.83, 5.10 A)
&rst
ixpk= 1762, nxpk= 10, iat=1355,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HD 92 VAL HN 5.00 (# 1763:10 Unique 3.51, 5.38 A)
&rst
ixpk= 1763, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1482,1491,
&end
#
# 0 AMB 10-2:1764 94 THR HN 5.00 (# 1764:10 Single 0.00, 0.00 )
&rst
ixpk= 1764, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 99 ASP HN 96 LYS HN 4.50 (# 1768:10 Unique 3.61, 3.73 A)
&rst
ixpk= 1768, nxpk= 10, iat=1571,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ILE HN 101 GLU HN 5.00 (# 1773:10 Unique 4.39, 4.41 A)
&rst
ixpk= 1773, nxpk= 10, iat=1583,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 GLY HA+ 101 GLU HN 4.50 (# 1775:10 Unique 3.33, 3.73 A)
&rst
ixpk= 1775, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 745, 746,
&end
#
# 100 ILE HG1- 101 GLU HN 3.50 (# 1776:10 Unique 1.82, 2.87 A)
&rst
ixpk= 1776, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1593,1594,
&end
#
# 101 GLU HN 102 ALA HN 5.00 (# 1778:10 Unique 3.86, 4.23 A)
&rst
ixpk= 1778, nxpk= 10, iat=1602,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 GLY HA- 102 ALA HN 6.00 (# 1780:10 Unique 4.04, 4.55 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 745, 746,
&end
#
# 113 ILE QG2 102 ALA HN 5.00 (# 1781:10 Unique 2.83, 4.88 A)
&rst
ixpk= 1781, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1772,1773,1774,
&end
#
# 103 ILE QG2 103 ILE HN 4.00 (# 1782:10 Unique 3.77, 4.43 A)
&rst
ixpk= 1782, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 103 ILE QD1 103 ILE HN 4.00 (# 1783:10 Unique 2.23, 3.59 A)
&rst
ixpk= 1783, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1640,1641,1642,
&end
#
# 105 VAL MGY 103 ILE HN 4.00 (# 1784:10 Unique 2.84, 4.47 A)
&rst
ixpk= 1784, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 10-2:1785 104 ASP HN 4.00 (# 1785:10 Single 0.00, 0.00 )
&rst
ixpk= 1785, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1637,1638,1631,
&end
#
# 103 ILE HG1+ 104 ASP HN 4.00 (# 1786:10 Unique 3.36, 4.43 A)
&rst
ixpk= 1786, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1637,1638,
&end
#
# 105 VAL MGY 104 ASP HN 5.60 (# 1787:10 Unique 3.69, 5.12 A)
&rst
ixpk= 1787, nxpk= 10, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 103 ILE HG1+ 103 ILE HN 4.00 (# 1788:10 Unique 2.71, 4.08 A)
&rst
ixpk= 1788, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1637,1638,
&end
#
# 0 AMB 10-2:1789 105 VAL HN 5.00 (# 1789:10 Single 0.00, 0.00 )
&rst
ixpk= 1789, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1731,1732,1609,1610,
&end
#
# 0 AMB 10-2:1790 105 VAL HN 6.00 (# 1790:10 Single 0.00, 0.00 )
&rst
ixpk= 1790, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1631,1637,1638,
&end
#
# 103 ILE QD1 105 VAL HN 6.70 (# 1792:10 Unique 6.12, 7.24 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1=1640,1641,1642,
&end
#
# 109 THR MG2 106 ASP HN 4.00 (# 1794:10 Unique 3.69, 4.63 A)
&rst
ixpk= 1794, nxpk= 10, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1716,1717,1718,
&end
#
# 39 THR MG2 0 AMB 10-1:1795 6.00 (# 1795:10 Single 0.00, 0.00 )
&rst
ixpk= 1795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 630, 631, 632,
igr2=1698,1674,
&end
#
# 105 VAL MGX 107 ASP HN 6.00 (# 1796:10 Unique 5.07, 7.42 A)
&rst
ixpk= 1796, nxpk= 10, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 10-2:1797 107 ASP HN 6.00 (# 1797:10 Single 0.00, 0.00 )
&rst
ixpk= 1797, nxpk= 10, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1728,1729,1745,1746,
&end
#
# 110 GLN HA 109 THR HN 6.00 (# 1798:10 Unique 5.43, 5.47 A)
&rst
ixpk= 1798, nxpk= 10, iat=1726,1710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1799 109 THR HN 5.00 (# 1799:10 Single 0.00, 0.00 )
&rst
ixpk= 1799, nxpk= 10, iat= -1,1710, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
&end
#
# 110 GLN HB- 112 ALA HN 5.00 (# 1802:10 Unique 4.62, 5.27 A)
&rst
ixpk= 1802, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1728,1729,
&end
#
# 113 ILE QG2 112 ALA HN 6.00 (# 1803:10 Unique 6.90, 7.26 A)
&rst
ixpk= 1803, nxpk= 10, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1772,1773,1774,
&end
#
# 69 ALA HN 81 GLU HN 4.00 (# 1805:10 Unique 2.84, 3.90 A)
&rst
ixpk= 1805, nxpk= 10, iat=1133,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 TRP HD1 116 TRP HN 5.00 (# 1807:10 Unique 3.98, 4.42 A)
&rst
ixpk= 1807, nxpk= 10, iat=1815,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1809 117 LEU HN 6.00 (# 1809:10 Single 0.00, 0.00 )
&rst
ixpk= 1809, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 117 LEU HB+ 117 LEU HN 3.50 (# 1810:10 Unique 2.24, 3.01 A)
&rst
ixpk= 1810, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1835,1836,
&end
#
# 116 TRP HD1 117 LEU HN 4.00 (# 1811:10 Unique 2.46, 3.30 A)
&rst
ixpk= 1811, nxpk= 10, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1812 120 LEU HN 3.20 (# 1812:10 Single 0.00, 0.00 )
&rst
ixpk= 1812, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1875,1876,1875,1876,
&end
#
# 120 LEU HB+ 120 LEU HN 3.00 (# 1813:10 Unique 2.11, 2.67 A)
&rst
ixpk= 1813, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 0 AMB 10-2:1814 120 LEU HN 6.00 (# 1814:10 Single 0.00, 0.00 )
&rst
ixpk= 1814, nxpk= 10, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1959,1960,1840,1841,1842,1844,1845,1846,
&end
#
# 123 GLY HN 121 ALA HN 4.80 (# 1815:10 Unique 3.92, 4.28 A)
&rst
ixpk= 1815, nxpk= 10, iat=1948,1914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 122 ARG HB- 123 GLY HN 4.50 (# 1816:10 Unique 2.69, 3.84 A)
&rst
ixpk= 1816, nxpk= 10, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1928,1929,
&end
#
# 119 TRP HA 124 TYR HN 7.60 (# 1817:10 Unique 5.18, 5.64 A)
&rst
ixpk= 1817, nxpk= 10, iat=1873,1955, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, &end
#
# 0 AMB 10-2:1818 124 TYR HN 5.00 (# 1818:10 Single 0.00, 0.00 )
&rst
ixpk= 1818, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,1928,1929,
&end
#
# 119 TRP HE1 126 PHE HN 5.00 (# 1819:10 Unique 5.00, 5.13 A)
&rst
ixpk= 1819, nxpk= 10, iat=1881,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP HA 48 TRP HE1 5.00 (# 1820:10 Unique 5.05, 5.13 A)
&rst
ixpk= 1820, nxpk= 10, iat=1573, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1821 48 TRP HE1 4.50 (# 1821:10 Single 0.00, 0.00 )
&rst
ixpk= 1821, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 820,1521,
&end
#
# 8 GLU HA 12 HIS HN 4.50 (# 1822:10 Unique 3.29, 3.84 A)
&rst
ixpk= 1822, nxpk= 10, iat= 111, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 VAL HA 4 VAL HN 3.00 (# 1823:10 Unique 2.91, 2.93 A)
&rst
ixpk= 1823, nxpk= 10, iat= 44, 42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 ARG HB+ 10 ARG HN 3.50 (# 1825:10 Unique 2.31, 2.79 A)
&rst
ixpk= 1825, nxpk= 10, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 142, 143,
&end
#
# 12 HIS HD2 10 ARG HN 6.00 (# 1828:10 Unique 5.29, 5.69 A)
&rst
ixpk= 1828, nxpk= 10, iat= 190, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ARG HN 11 GLU HN 5.50 (# 1830:10 Unique 4.81, 4.94 A)
&rst
ixpk= 1830, nxpk= 10, iat= 194, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ILE HN 12 HIS HN 5.00 (# 1832:10 Unique 4.73, 4.81 A)
&rst
ixpk= 1832, nxpk= 10, iat= 218, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 15 GLU HN 4.50 (# 1834:10 Unique 3.97, 4.01 A)
&rst
ixpk= 1834, nxpk= 10, iat= 196, 237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HA 15 GLU HN 5.40 (# 1835:10 Unique 5.12, 5.17 A)
&rst
ixpk= 1835, nxpk= 10, iat= 254, 237, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 0 AMB 10-2:1836 16 THR HN 4.00 (# 1836:10 Single 0.00, 0.00 )
&rst
ixpk= 1836, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 244, 245, 273, 274,
&end
#
# 18 ILE HA 17 GLU HN 5.20 (# 1837:10 Unique 4.44, 4.50 A)
&rst
ixpk= 1837, nxpk= 10, iat= 283, 266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 14 ILE HA 17 GLU HN 4.50 (# 1838:10 Unique 3.74, 3.87 A)
&rst
ixpk= 1838, nxpk= 10, iat= 220, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLU HA 7 ASP HN 6.00 (# 1840:10 Unique 4.35, 4.50 A)
&rst
ixpk= 1840, nxpk= 10, iat= 60, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 TYR HE 94 THR HN 6.50 (# 1841:10 Unique 6.90, 7.27 A)
&rst
ixpk= 1841, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1484,1489,
&end
#
# 125 LYS HN 126 PHE HN 3.00 (# 1842:10 Unique 1.70, 2.38 A)
&rst
ixpk= 1842, nxpk= 10, iat=1976,1998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 124 TYR HB+ 126 PHE HN 5.40 (# 1843:10 Unique 2.54, 3.69 A)
&rst
ixpk= 1843, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1959,1960,
&end
#
# 126 PHE HN 124 TYR HN 7.00 (# 1844:10 Unique 4.69, 5.01 A)
&rst
ixpk= 1844, nxpk= 10, iat=1998,1955, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 119 TRP HB- 119 TRP HE1 5.00 (# 1846:10 Unique 4.84, 5.08 A)
&rst
ixpk= 1846, nxpk= 10, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1875,1876,
&end
#
# 97 LEU HN 98 SER HN 3.50 (# 1847:10 Unique 2.78, 2.87 A)
&rst
ixpk= 1847, nxpk= 10, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 MET HG- 116 TRP HE1 5.00 (# 1849:10 Unique 1.80, 5.22 A)
&rst
ixpk= 1849, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1267,1268,
&end
#
# 96 LYS HN 48 TRP HE1 5.00 (# 1850:10 Unique 4.85, 5.02 A)
&rst
ixpk= 1850, nxpk= 10, iat=1519, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1851 48 TRP HE1 5.00 (# 1851:10 Single 0.00, 0.00 )
&rst
ixpk= 1851, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 796,1007,
&end
#
# 119 TRP HB- 119 TRP HN 3.00 (# 1853:10 Unique 2.08, 2.62 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1875,1876,
&end
#
# 70 PRO HB+ 71 ASP HN 3.80 (# 1854:10 Unique 2.18, 3.15 A)
&rst
ixpk= 1854, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1150,1151,
&end
#
# 27 GLU HG+ 27 GLU HN 3.00 (# 1858:10 Unique 1.90, 2.72 A)
&rst
ixpk= 1858, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 428, 429,
&end
#
# 36 LEU HB- 0 AMB 10-1:1859 5.00 (# 1859:10 Single 0.00, 0.00 )
&rst
ixpk= 1859, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 585, 586,
igr2= 539,1260,
&end
#
# 0 AMB 10-2:1860 37 ASP HN 6.00 (# 1860:10 Single 0.00, 0.00 )
&rst
ixpk= 1860, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 628, 543, 544,
&end
#
# 0 AMB 10-2:1861 37 ASP HN 6.00 (# 1861:10 Single 0.00, 0.00 )
&rst
ixpk= 1861, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 564, 565, 543, 544, 676, 677,
&end
#
# 33 TYR HE 38 ASP HN 6.00 (# 1862:10 Unique 5.13, 6.66 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 528, 533,
&end
#
# 0 AMB 10-2:1863 39 THR HN 6.00 (# 1863:10 Single 0.00, 0.00 )
&rst
ixpk= 1863, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 604, 605, 588,
&end
#
# 0 AMB 10-2:1864 41 GLU HN 5.50 (# 1864:10 Single 0.00, 0.00 )
&rst
ixpk= 1864, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626,1714,
&end
#
# 120 LEU HN 0 AMB 10-1:1865 3.50 (# 1865:10 Single 0.00, 0.00 )
&rst
ixpk= 1865, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1871,1850,
&end
#
# 0 AMB 10-2:1866 9 THR HN 5.00 (# 1866:10 Single 0.00, 0.00 )
&rst
ixpk= 1866, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 62, 63, 113, 114,
&end
#
# 10 ARG HN 9 THR HN 3.00 (# 1867:10 Unique 2.58, 2.61 A)
&rst
ixpk= 1867, nxpk= 10, iat= 138, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 ARG HD+ 11 GLU HN 5.00 (# 1869:10 Unique 1.98, 4.31 A)
&rst
ixpk= 1869, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 148, 149,
&end
#
# 0 AMB 10-2:1870 11 GLU HN 6.00 (# 1870:10 Single 0.00, 0.00 )
&rst
ixpk= 1870, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 181, 182, 83, 84,
&end
#
# 14 ILE QD1 32 TRP HE1 5.00 (# 1871:10 Unique 4.30, 5.63 A)
&rst
ixpk= 1871, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 231, 232, 233,
&end
#
# 18 ILE HA 19 ILE HN 4.90 (# 1873:10 Unique 3.42, 3.53 A)
&rst
ixpk= 1873, nxpk= 10, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 17 GLU HB+ 18 ILE HN 4.40 (# 1874:10 Unique 2.65, 3.36 A)
&rst
ixpk= 1874, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 270, 271,
&end
#
# 79 TYR HB- 69 ALA HN 5.00 (# 1878:10 Unique 3.08, 4.65 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1281,1282,
&end
#
# 118 TYR HB+ 116 TRP HN 6.00 (# 1879:10 Unique 5.05, 6.34 A)
&rst
ixpk= 1879, nxpk= 10, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1854,1855,
&end
#
# 109 THR MG2 40 LEU HN 5.00 (# 1880:10 Unique 4.48, 6.10 A)
&rst
ixpk= 1880, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1716,1717,1718,
&end
#
# 66 LEU HA 44 PHE HN 5.00 (# 1881:10 Unique 4.26, 4.57 A)
&rst
ixpk= 1881, nxpk= 10, iat=1092, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
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