NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492433 |
2ka6   |
16015 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
#
# 121 PHE HA 124 VAL QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
igr2= 1902, 1903, 1904,
&end
#
# 121 PHE QD 62 ALA QB 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1853, 1861,
igr2= 965, 966, 967,
&end
#
# 121 PHE HA 10 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 161, 162, 163,
&end
#
# 121 PHE HA 10 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 154, 155, 156,
&end
#
# 123 GLU- HA 126 ARG+ QD 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1929, 1930,
&end
#
# 126 ARG+ HA 126 ARG+ QD 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1921, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1929, 1930,
&end
#
# 124 VAL HA 127 ILE HB 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, 1947, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 119 GLU- HA 122 ASP- HB+ 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 1869, 1870,
&end
#
# 114 LEU HA 114 LEU QQD 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 114 LEU HA 114 LEU QQD 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 107 LEU HA 107 LEU QQD 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1633, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU HA 107 LEU QQD 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1633, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 106 ARG+ HA 106 ARG+ QD 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1609, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 1617, 1618,
&end
#
# 133 PHE HA 133 PHE QD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2029, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 2035, 2043,
&end
#
# 121 PHE QD 59 GLN HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1853, 1861,
&end
#
# 121 PHE QD 59 GLN QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1853, 1861,
igr2= 910, 911,
&end
#
# 121 PHE QD 59 GLN QG 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1853, 1861,
igr2= 913, 914,
&end
#
# 116 MET QE 121 PHE QD 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 1784, 1785, 1786,
igr2= 1853, 1861,
&end
#
# 117 SER HA 118 PRO HD+ 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1792, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 1802, 1803,
&end
#
# 117 SER HA 118 PRO HG+ 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1792, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 1805, 1806,
&end
#
# 117 SER HA 118 PRO HG- 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1792, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 1805, 1806,
&end
#
# 122 ASP- HA 125 SER HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1912, 1913,
&end
#
# 122 ASP- HA 125 SER HB- 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1867, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1912, 1913,
&end
#
# 137 MET HA 80 PHE QE 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 1241, 1245,
&end
#
# 137 MET HB- 80 PHE QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2091, 2092,
igr2= 1241, 1245,
&end
#
# 137 MET HB+ 80 PHE QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2091, 2092,
igr2= 1241, 1245,
&end
#
# 137 MET HA 61 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 955, 956, 957,
&end
#
# 130 SER HA 133 PHE QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1987, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 2031, 2032,
&end
#
# 130 SER HA 133 PHE QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1987, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 2035, 2043,
&end
#
# 123 GLU- HA 127 ILE QD1 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 1956, 1957, 1958,
&end
#
# 123 GLU- HA 126 ARG+ QB 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1923, 1924,
&end
#
# 123 GLU- HA 126 ARG+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1926, 1927,
&end
#
# 123 GLU- HA 126 ARG+ HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1926, 1927,
&end
#
# 120 GLU- HA 123 GLU- QB 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 1881, 1882,
&end
#
# 6 ARG+ HA 123 GLU- QB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1881, 1882,
&end
#
# 6 ARG+ HG- 123 GLU- QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 77, 78,
igr2= 1881, 1882,
&end
#
# 6 ARG+ HG+ 123 GLU- QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 77, 78,
igr2= 1881, 1882,
&end
#
# 6 ARG+ HD- 123 GLU- QB 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 80, 81,
igr2= 1881, 1882,
&end
#
# 6 ARG+ HD+ 123 GLU- QB 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 80, 81,
igr2= 1881, 1882,
&end
#
# 7 ARG+ HA 123 GLU- QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1881, 1882,
&end
#
# 120 GLU- HA 10 ILE QD1 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 161, 162, 163,
&end
#
# 120 GLU- HA 6 ARG+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 80, 81,
&end
#
# 120 GLU- HA 6 ARG+ QG 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 77, 78,
&end
#
# 120 GLU- HA 6 ARG+ QB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 74, 75,
&end
#
# 133 PHE HA 88 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2029, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 133 PHE QD 88 LEU QQD 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 2035, 2043,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 133 PHE HA 50 THR QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2029, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 798, 799, 800,
&end
#
# 121 PHE HA 121 PHE QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1853, 1861,
&end
#
# 119 GLU- HA 122 ASP- HB- 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 1869, 1870,
&end
#
# 110 THR HA 113 LEU HG 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1728, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 110 THR HA 113 LEU QQD 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 110 THR HA 113 LEU QQD 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 110 THR HA 56 VAL QG2 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 868, 869, 870,
&end
#
# 125 SER HA 128 VAL QG2 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1910, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 1972, 1973, 1974,
&end
#
# 132 GLU- HB- 88 LEU QQD 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 2016, 2017,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 132 GLU- HB+ 88 LEU QQD 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 2016, 2017,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 132 GLU- HG- 88 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2019, 2020,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 132 GLU- HG+ 88 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2019, 2020,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 128 VAL HA 69 LYS+ HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1964, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1070, 1071,
&end
#
# 128 VAL HA 69 LYS+ HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1964, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1070, 1071,
&end
#
# 128 VAL HA 69 LYS+ QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1964, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1073, 1074,
&end
#
# 128 VAL HA 66 TYR QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1964, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1020, 1029,
&end
#
# 115 PRO HA 35 LYS+ HE+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 533, 534,
&end
#
# 115 PRO HA 35 LYS+ HE- 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 533, 534,
&end
#
# 115 PRO HA 35 LYS+ HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 530, 531,
&end
#
# 115 PRO HA 35 LYS+ HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 530, 531,
&end
#
# 115 PRO HA 36 MET QE 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 553, 554, 555,
&end
#
# 115 PRO HA 39 VAL QG2 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 615, 616, 617,
&end
#
# 115 PRO HA 39 VAL QG1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 611, 612, 613,
&end
#
# 118 PRO HA 121 PHE HB2 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1811, 1849, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 118 PRO HA 121 PHE HB3 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1811, 1850, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 66 TYR QD 127 ILE HG1+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1020, 1029,
igr2= 1953, 1954,
&end
#
# 66 TYR QD 127 ILE HG1- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1020, 1029,
igr2= 1953, 1954,
&end
#
# 66 TYR QE 127 ILE HG1+ 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1022, 1027,
igr2= 1953, 1954,
&end
#
# 66 TYR QE 127 ILE HG1- 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1022, 1027,
igr2= 1953, 1954,
&end
#
# 124 VAL HA 10 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 161, 162, 163,
&end
#
# 124 VAL HA 62 ALA QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 965, 966, 967,
&end
#
# 124 VAL HA 66 TYR QD 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1020, 1029,
&end
#
# 124 VAL HA 66 TYR HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, 1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR HB 56 VAL QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1685, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 868, 869, 870,
&end
#
# 110 THR HB 113 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1685, 1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 HIS QB 104 PRO HD+ 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 1569, 1570,
igr2= 1583, 1584,
&end
#
# 103 HIS HA 104 PRO HD+ 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1567, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 1583, 1584,
&end
#
# 114 LEU HA 115 PRO HD- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1760, 1761,
&end
#
# 103 HIS HA 104 PRO HD- 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1567, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 1583, 1584,
&end
#
# 103 HIS HA 104 PRO QG 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1567, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 1586, 1587,
&end
#
# 113 LEU HA 35 LYS+ HE+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 533, 534,
&end
#
# 113 LEU HA 35 LYS+ HE- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 533, 534,
&end
#
# 113 LEU HA 39 VAL QG2 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 615, 616, 617,
&end
#
# 113 LEU HA 39 VAL QG1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 611, 612, 613,
&end
#
# 113 LEU HA 56 VAL QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 868, 869, 870,
&end
#
# 113 LEU HA 56 VAL QG1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 864, 865, 866,
&end
#
# 111 ASP- HA 114 LEU HG 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1697, 1747, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 111 ASP- HA 114 LEU QQD 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1697, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 115 PRO HG+ 39 VAL QG1 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1763, 1764,
igr2= 611, 612, 613,
&end
#
# 115 PRO HG- 39 VAL QG2 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 1763, 1764,
igr2= 615, 616, 617,
&end
#
# 115 PRO HG- 63 LEU QQD 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1763, 1764,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 115 PRO HG- 36 MET QE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1763, 1764,
igr2= 553, 554, 555,
&end
#
# 103 HIS QB 104 PRO HD- 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 1569, 1570,
igr2= 1583, 1584,
&end
#
# 126 ARG+ QB 127 ILE QD1 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 1923, 1924,
igr2= 1956, 1957, 1958,
&end
#
# 124 VAL HB 62 ALA QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 965, 966, 967,
&end
#
# 124 VAL HB 10 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 154, 155, 156,
&end
#
# 124 VAL HB 10 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 161, 162, 163,
&end
#
# 124 VAL HB 66 TYR QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1020, 1029,
&end
#
# 124 VAL HB 66 TYR QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1022, 1027,
&end
#
# 121 PHE HA 124 VAL HB 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, 1896, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 VAL QG1 128 VAL HB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1898, 1899, 1900,
&end
#
# 125 SER HA 128 VAL HB 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1910, 1966, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 62 ALA HA 128 VAL HB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, 1966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 ALA QB 128 VAL HB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 965, 966, 967,
&end
#
# 135 SER HA 138 ASN HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2061, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 2108, 2109,
&end
#
# 135 SER HA 138 ASN HB- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2061, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 2108, 2109,
&end
#
# 135 SER HA 87 LYS+ QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2061, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1365, 1366,
&end
#
# 135 SER QB 87 LYS+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 2063, 2064,
igr2= 1362, 1363,
&end
#
# 135 SER QB 87 LYS+ QE 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 2063, 2064,
igr2= 1365, 1366,
&end
#
# 133 PHE HB+ 50 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2031, 2032,
igr2= 798, 799, 800,
&end
#
# 133 PHE QE 50 THR QG2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2037, 2041,
igr2= 798, 799, 800,
&end
#
# 133 PHE QD 50 THR QG2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2035, 2043,
igr2= 798, 799, 800,
&end
#
# 133 PHE QE 50 THR HB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2037, 2041,
&end
#
# 133 PHE QD 50 THR HB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2035, 2043,
&end
#
# 133 PHE HB+ 61 ILE QG2 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 2031, 2032,
igr2= 948, 949, 950,
&end
#
# 133 PHE HB- 61 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2031, 2032,
igr2= 948, 949, 950,
&end
#
# 122 ASP- QB 119 GLU- HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1869, 1870,
igr2= 1819, 1820,
&end
#
# 122 ASP- QB 119 GLU- HB+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1869, 1870,
igr2= 1819, 1820,
&end
#
# 111 ASP- HB+ 114 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1699, 1700,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 111 ASP- HB+ 114 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1699, 1700,
&end
#
# 111 ASP- HB- 114 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1699, 1700,
&end
#
# 111 ASP- HB- 114 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1699, 1700,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 126 ARG+ QD 127 ILE QD1 6.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 1929, 1930,
igr2= 1956, 1957, 1958,
&end
#
# 136 MET QE 84 ILE QD1 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 2081, 2082, 2083,
igr2= 1307, 1308, 1309,
&end
#
# 136 MET QE 84 ILE QG2 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 2081, 2082, 2083,
igr2= 1300, 1301, 1302,
&end
#
# 136 MET QE 88 LEU QQD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 2081, 2082, 2083,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 136 MET HA 61 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 955, 956, 957,
&end
#
# 136 MET HA 61 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 948, 949, 950,
&end
#
# 136 MET HA 88 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 136 MET QE 61 ILE QD1 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 2081, 2082, 2083,
igr2= 955, 956, 957,
&end
#
# 137 MET QE 61 ILE QG2 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 2098, 2099, 2100,
igr2= 948, 949, 950,
&end
#
# 137 MET QE 61 ILE QD1 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 2098, 2099, 2100,
igr2= 955, 956, 957,
&end
#
# 137 MET QE 50 THR QG2 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 2098, 2099, 2100,
igr2= 798, 799, 800,
&end
#
# 137 MET QE 50 THR HB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2098, 2099, 2100,
&end
#
# 137 MET QE 49 LYS+ HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2098, 2099, 2100,
&end
#
# 137 MET QE 43 THR QG2 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 2098, 2099, 2100,
igr2= 677, 678, 679,
&end
#
# 136 MET QG 87 LYS+ QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2077, 2078,
igr2= 1365, 1366,
&end
#
# 136 MET QG 87 LYS+ QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2077, 2078,
igr2= 1362, 1363,
&end
#
# 49 LYS+ QE 137 MET QE 6.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 783, 784,
igr2= 2098, 2099, 2100,
&end
#
# 137 MET QE 57 CYSZ HB3 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 2098, 2099, 2100,
&end
#
# 137 MET QE 57 CYSZ HB2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2098, 2099, 2100,
&end
#
# 137 MET QE 57 CYSZ HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2098, 2099, 2100,
&end
#
# 136 MET HA 136 MET QE 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 2081, 2082, 2083,
&end
#
# 137 MET QE 58 LYS+ HA 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 2098, 2099, 2100,
&end
#
# 136 MET QE 80 PHE QD 6.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 2081, 2082, 2083,
igr2= 1239, 1247,
&end
#
# 137 MET QE 80 PHE QE 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 2098, 2099, 2100,
igr2= 1241, 1245,
&end
#
# 116 MET QE 13 CYS HB2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 121 PHE HB3 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1850, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 121 PHE HB2 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1849, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 13 CYS HB3 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 59 GLN QG 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 1784, 1785, 1786,
igr2= 913, 914,
&end
#
# 116 MET HA 116 MET QE 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1784, 1785, 1786,
&end
#
# 116 MET QE 121 PHE HA 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1847, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 63 LEU HA 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1784, 1785, 1786,
&end
#
# 116 MET QE 59 GLN HA 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 1784, 1785, 1786,
&end
#
# 113 LEU HG 56 VAL QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 868, 869, 870,
&end
#
# 113 LEU HG 56 VAL QG1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 864, 865, 866,
&end
#
# 113 LEU HG 39 VAL QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 615, 616, 617,
&end
#
# 113 LEU HB- 56 VAL QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1725, 1726,
igr2= 868, 869, 870,
&end
#
# 113 LEU HB+ 56 VAL QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1725, 1726,
igr2= 868, 869, 870,
&end
#
# 113 LEU HB- 56 VAL QG1 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1725, 1726,
igr2= 864, 865, 866,
&end
#
# 113 LEU HB+ 56 VAL QG1 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1725, 1726,
igr2= 864, 865, 866,
&end
#
# 113 LEU HB- 39 VAL QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1725, 1726,
igr2= 615, 616, 617,
&end
#
# 113 LEU HB+ 39 VAL QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1725, 1726,
igr2= 615, 616, 617,
&end
#
# 113 LEU HB- 39 VAL QG1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1725, 1726,
igr2= 611, 612, 613,
&end
#
# 113 LEU HB+ 39 VAL QG1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1725, 1726,
igr2= 611, 612, 613,
&end
#
# 127 ILE HA 127 ILE QD1 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1945, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1956, 1957, 1958,
&end
#
# 123 GLU- QG 127 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1884, 1885,
igr2= 1956, 1957, 1958,
&end
#
# 123 GLU- QG 6 ARG+ HA 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1884, 1885,
&end
#
# 123 GLU- QG 6 ARG+ HB- 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1884, 1885,
igr2= 74, 75,
&end
#
# 123 GLU- QG 6 ARG+ HB+ 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1884, 1885,
igr2= 74, 75,
&end
#
# 123 GLU- QG 6 ARG+ HG- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
igr2= 77, 78,
&end
#
# 123 GLU- QG 6 ARG+ HG+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
igr2= 77, 78,
&end
#
# 123 GLU- QG 6 ARG+ HD- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
igr2= 80, 81,
&end
#
# 123 GLU- QG 7 ARG+ HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
&end
#
# 123 GLU- QG 7 ARG+ HG- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
igr2= 101, 102,
&end
#
# 123 GLU- QG 10 ILE QD1 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 1884, 1885,
igr2= 161, 162, 163,
&end
#
# 123 GLU- QG 7 ARG+ HG+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
igr2= 101, 102,
&end
#
# 123 GLU- QG 7 ARG+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 1884, 1885,
igr2= 104, 105,
&end
#
# 124 VAL HA 127 ILE QD1 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 1956, 1957, 1958,
&end
#
# 127 ILE QD1 7 ARG+ HG+ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1956, 1957, 1958,
igr2= 101, 102,
&end
#
# 127 ILE QD1 7 ARG+ QD 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 1956, 1957, 1958,
igr2= 104, 105,
&end
#
# 127 ILE QD1 7 ARG+ HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1956, 1957, 1958,
&end
#
# 127 ILE QD1 10 ILE QD1 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1956, 1957, 1958,
igr2= 161, 162, 163,
&end
#
# 127 ILE QD1 10 ILE QG2 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1956, 1957, 1958,
igr2= 154, 155, 156,
&end
#
# 127 ILE QD1 69 LYS+ QE 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 1956, 1957, 1958,
igr2= 1073, 1074,
&end
#
# 127 ILE QD1 66 TYR QD 6.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 1956, 1957, 1958,
igr2= 1020, 1029,
&end
#
# 127 ILE QD1 7 ARG+ HG- 5.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 1956, 1957, 1958,
igr2= 101, 102,
&end
#
# 127 ILE QG2 66 TYR QD 6.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 1949, 1950, 1951,
igr2= 1020, 1029,
&end
#
# 127 ILE QG2 66 TYR QE 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 1949, 1950, 1951,
igr2= 1022, 1027,
&end
#
# 127 ILE QG2 69 LYS+ QE 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 1949, 1950, 1951,
igr2= 1073, 1074,
&end
#
# 127 ILE QG2 69 LYS+ HD- 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1949, 1950, 1951,
igr2= 1070, 1071,
&end
#
# 127 ILE QG2 69 LYS+ HD+ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1949, 1950, 1951,
igr2= 1070, 1071,
&end
#
# 127 ILE QG2 69 LYS+ HG+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1949, 1950, 1951,
igr2= 1067, 1068,
&end
#
# 131 VAL QQG 65 CYS HB2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 131 VAL QQG 65 CYS HB3 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1006, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 131 VAL QQG 65 CYS HA 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1003, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 131 VAL QQG 69 LYS+ QE 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
igr2= 1073, 1074,
&end
#
# 131 VAL QQG 88 LEU QQD 9.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 131 VAL QQG 133 PHE QD 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
igr2= 2035, 2043,
&end
#
# 128 VAL QG2 65 CYS HB3 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1006, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 1972, 1973, 1974,
&end
#
# 128 VAL QG2 69 LYS+ QE 7.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 1972, 1973, 1974,
igr2= 1073, 1074,
&end
#
# 128 VAL QG2 65 CYS HB2 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 1972, 1973, 1974,
&end
#
# 128 VAL QG2 66 TYR HB2 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1016, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1972, 1973, 1974,
&end
#
# 128 VAL QG2 66 TYR HA 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1014, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 1972, 1973, 1974,
&end
#
# 128 VAL QG1 62 ALA HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1968, 1969, 1970,
&end
#
# 127 ILE HB 128 VAL QG2 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1947, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 1972, 1973, 1974,
&end
#
# 128 VAL QG2 69 LYS+ HD+ 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 1972, 1973, 1974,
igr2= 1070, 1071,
&end
#
# 128 VAL QG1 69 LYS+ HD+ 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 1968, 1969, 1970,
igr2= 1070, 1071,
&end
#
# 128 VAL QG1 65 CYS HB2 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1968, 1969, 1970,
&end
#
# 128 VAL QG1 65 CYS HB3 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1006, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 1968, 1969, 1970,
&end
#
# 128 VAL QG1 65 CYS HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1003, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1968, 1969, 1970,
&end
#
# 128 VAL QG1 69 LYS+ QE 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1968, 1969, 1970,
igr2= 1073, 1074,
&end
#
# 128 VAL QG1 66 TYR QD 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 1968, 1969, 1970,
igr2= 1020, 1029,
&end
#
# 110 THR QG2 113 LEU HG 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1728, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 1687, 1688, 1689,
&end
#
# 110 THR QG2 56 VAL QG1 7.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 1687, 1688, 1689,
igr2= 864, 865, 866,
&end
#
# 110 THR QG2 56 VAL QG2 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1687, 1688, 1689,
igr2= 868, 869, 870,
&end
#
# 124 VAL QG1 10 ILE QG2 6.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 1898, 1899, 1900,
igr2= 154, 155, 156,
&end
#
# 124 VAL QG1 10 ILE QD1 6.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 1898, 1899, 1900,
igr2= 161, 162, 163,
&end
#
# 124 VAL QG1 66 TYR HB2 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1016, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 1898, 1899, 1900,
&end
#
# 124 VAL QG1 66 TYR HB3 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1017, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1898, 1899, 1900,
&end
#
# 124 VAL QG1 125 SER HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1898, 1899, 1900,
&end
#
# 124 VAL QG1 62 ALA HA 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1898, 1899, 1900,
&end
#
# 124 VAL QG1 66 TYR QD 6.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 1898, 1899, 1900,
igr2= 1020, 1029,
&end
#
# 124 VAL QG1 66 TYR QE 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1898, 1899, 1900,
igr2= 1022, 1027,
&end
#
# 114 LEU QQD 56 VAL HA 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 114 LEU QQD 59 GLN QG 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 913, 914,
&end
#
# 114 LEU QQD 55 PRO HB+ 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 851, 852,
&end
#
# 114 LEU QQD 55 PRO HG- 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 848, 849,
&end
#
# 114 LEU QQD 55 PRO HB- 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 851, 852,
&end
#
# 114 LEU QQD 55 PRO QD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 845, 846,
&end
#
# 114 LEU QQD 39 VAL QG1 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 611, 612, 613,
&end
#
# 114 LEU QQD 39 VAL QG2 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 615, 616, 617,
&end
#
# 114 LEU QQD 56 VAL QG2 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 868, 869, 870,
&end
#
# 114 LEU QQD 56 VAL QG1 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 864, 865, 866,
&end
#
# 113 LEU HA 113 LEU QQD 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 38 ARG+ HA 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 42 HIS HB3 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 39 VAL HA 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 42 HIS HB2 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 38 ARG+ HD- 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 591, 592,
&end
#
# 113 LEU QQD 39 VAL HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 38 ARG+ HB- 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 585, 586,
&end
#
# 113 LEU QQD 38 ARG+ HB+ 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 585, 586,
&end
#
# 113 LEU QQD 39 VAL QG2 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 615, 616, 617,
&end
#
# 113 LEU QQD 39 VAL QG1 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 611, 612, 613,
&end
#
# 113 LEU QQD 56 VAL QG2 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 868, 869, 870,
&end
#
# 113 LEU QQD 56 VAL QG1 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 864, 865, 866,
&end
#
# 124 VAL QG2 63 LEU HA 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 1902, 1903, 1904,
&end
#
# 124 VAL QG2 63 LEU HG 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1902, 1903, 1904,
&end
#
# 124 VAL QG2 63 LEU QQD 6.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 1902, 1903, 1904,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 124 VAL QG2 62 ALA QB 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1902, 1903, 1904,
igr2= 965, 966, 967,
&end
#
# 124 VAL QG2 10 ILE HG1+ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1902, 1903, 1904,
igr2= 158, 159,
&end
#
# 124 VAL QG2 10 ILE HB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1902, 1903, 1904,
&end
#
# 124 VAL QG2 10 ILE HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1902, 1903, 1904,
&end
#
# 124 VAL QG2 10 ILE QG2 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1902, 1903, 1904,
igr2= 154, 155, 156,
&end
#
# 124 VAL QG2 10 ILE QD1 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1902, 1903, 1904,
igr2= 161, 162, 163,
&end
#
# 124 VAL QG2 66 TYR HB2 6.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1016, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 1902, 1903, 1904,
&end
#
# 124 VAL QG2 66 TYR QE 7.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 1902, 1903, 1904,
igr2= 1022, 1027,
&end
#
# 124 VAL QG2 66 TYR QD 7.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 1902, 1903, 1904,
igr2= 1020, 1029,
&end
#
# 114 LEU QQD 55 PRO HB+ 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 851, 852,
&end
#
# 114 LEU QQD 55 PRO HB- 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 851, 852,
&end
#
# 114 LEU QQD 39 VAL QG2 6.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 615, 616, 617,
&end
#
# 113 LEU QQD 38 ARG+ HB- 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 585, 586,
&end
#
# 113 LEU QQD 38 ARG+ HB+ 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 585, 586,
&end
#
# 113 LEU QQD 39 VAL QG2 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 615, 616, 617,
&end
#
# 113 LEU QQD 39 VAL QG1 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 611, 612, 613,
&end
#
# 113 LEU QQD 39 VAL HA 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 56 VAL QG2 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 868, 869, 870,
&end
#
# 113 LEU QQD 56 VAL QG1 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 864, 865, 866,
&end
#
# 113 LEU QQD 38 ARG+ HD- 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 591, 592,
&end
#
# 113 LEU QQD 42 HIS HB2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 113 LEU QQD 42 HIS HB3 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 139 THR H 140 VAL H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2118, 2132, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 139 THR H 139 THR QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2118, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2124, 2125, 2126,
&end
#
# 112 ASN HA 112 ASN HD2+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1709, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1716, 1717,
&end
#
# 112 ASN HA 112 ASN HD2- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1709, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1716, 1717,
&end
#
# 135 SER HB- 136 MET H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2063, 2064,
&end
#
# 135 SER HB+ 136 MET H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2070, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 2063, 2064,
&end
#
# 133 PHE QD 134 ASP- H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2047, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 2035, 2043,
&end
#
# 131 VAL H 132 GLU- H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1996, 2012, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 SER H 131 VAL H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1985, 1996, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 GLY H 130 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1978, 1985, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 VAL H 129 GLY H 2.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1962, 1978, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 121 PHE HA 124 VAL H 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, 1892, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 122 ASP- H 123 GLU- H 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1865, 1877, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 121 PHE QD 122 ASP- H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1853, 1861,
&end
#
# 120 GLU- H 121 PHE H 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, 1845, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 119 GLU- H 120 GLU- H 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1815, 1830, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 121 PHE H 59 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1845, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 918, 919,
&end
#
# 121 PHE H 59 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1845, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 918, 919,
&end
#
# 116 MET H 59 GLN HE2+ 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 918, 919,
&end
#
# 116 MET H 59 GLN HE2- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 918, 919,
&end
#
# 113 LEU H 114 LEU H 3.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, 1740, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 108 GLN HB+ 109 THR H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1667, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1654, 1655,
&end
#
# 108 GLN HB- 109 THR H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1667, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1654, 1655,
&end
#
# 107 LEU H 107 LEU QQD 6.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1631, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU H 107 LEU QQD 6.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1631, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 102 VAL H 103 HIS H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1549, 1565, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 102 VAL HA 103 HIS H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1551, 1565, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 102 VAL HB 103 HIS H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1553, 1565, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 103 HIS H 104 PRO QG 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 1586, 1587,
&end
#
# 102 VAL QQG 103 HIS H 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 102 VAL QQG 103 HIS H 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 132 GLU- H 133 PHE H 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, 2027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 132 GLU- H 133 PHE HA 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, 2029, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 132 GLU- H 133 PHE QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 2035, 2043,
&end
#
# 131 VAL HA 132 GLU- H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1998, 2012, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 131 VAL QQG 132 GLU- H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2012, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 130 SER QB 132 GLU- H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2012, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1989, 1990,
&end
#
# 132 GLU- H 133 PHE HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 2031, 2032,
&end
#
# 132 GLU- H 133 PHE HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 2031, 2032,
&end
#
# 132 GLU- H 132 GLU- HG- 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 2019, 2020,
&end
#
# 132 GLU- H 132 GLU- HG+ 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 2019, 2020,
&end
#
# 100 SER QB 101 GLU- H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1534, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 1527, 1528,
&end
#
# 100 SER HA 101 GLU- H 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1525, 1534, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 106 ARG+ H 106 ARG+ QG 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1614, 1615,
&end
#
# 128 VAL HB 129 GLY H 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1966, 1978, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 127 ILE HB 129 GLY H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1947, 1978, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 128 VAL QG2 129 GLY H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1978, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1972, 1973, 1974,
&end
#
# 128 VAL QG1 129 GLY H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1978, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1968, 1969, 1970,
&end
#
# 130 SER HA 131 VAL H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1987, 1996, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 SER QB 131 VAL H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1989, 1990,
&end
#
# 131 VAL H 131 VAL HB 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1996, 2000, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 131 VAL H 131 VAL QQG 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1996, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 106 ARG+ H 107 LEU H 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, 1631, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 107 LEU H 108 GLN H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1631, 1650, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 106 ARG+ HA 107 LEU H 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1609, 1631, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 131 VAL H 133 PHE H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1996, 2027, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 133 PHE H 133 PHE QD 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2027, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 2035, 2043,
&end
#
# 131 VAL HA 133 PHE H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1998, 2027, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 130 SER QB 133 PHE H 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2027, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 1989, 1990,
&end
#
# 132 GLU- HG- 133 PHE H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2027, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 2019, 2020,
&end
#
# 132 GLU- HB+ 133 PHE H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2027, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 2016, 2017,
&end
#
# 132 GLU- HB- 133 PHE H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2027, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 2016, 2017,
&end
#
# 131 VAL QQG 133 PHE H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2027, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 110 THR HA 111 ASP- H 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1695, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 111 ASP- H 113 LEU HG 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1695, 1728, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 110 THR QG2 111 ASP- H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1687, 1688, 1689,
&end
#
# 119 GLU- H 122 ASP- H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1815, 1865, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 121 PHE H 122 ASP- H 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1845, 1865, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 122 ASP- H 124 VAL H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1865, 1892, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 120 GLU- H 122 ASP- H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, 1865, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 125 SER H 126 ARG+ H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1908, 1919, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 124 VAL H 126 ARG+ H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, 1919, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 123 GLU- HA 126 ARG+ H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, 1919, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 125 SER HB+ 126 ARG+ H 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1919, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 1912, 1913,
&end
#
# 125 SER HB- 126 ARG+ H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1919, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 1912, 1913,
&end
#
# 126 ARG+ H 126 ARG+ QD 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1929, 1930,
&end
#
# 120 GLU- HA 122 ASP- H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, 1865, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 121 PHE HB3 122 ASP- H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1850, 1865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 PHE HB2 122 ASP- H 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1849, 1865, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 120 GLU- HB- 122 ASP- H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1834, 1835,
&end
#
# 126 ARG+ H 126 ARG+ HG+ 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1919, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 1926, 1927,
&end
#
# 126 ARG+ H 126 ARG+ HG- 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1919, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 1926, 1927,
&end
#
# 124 VAL QG1 126 ARG+ H 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1919, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 1898, 1899, 1900,
&end
#
# 117 SER QB 120 GLU- H 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1830, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 1794, 1795,
&end
#
# 120 GLU- H 120 GLU- HB- 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 1834, 1835,
&end
#
# 119 GLU- HB- 120 GLU- H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1830, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 1819, 1820,
&end
#
# 119 GLU- HB+ 120 GLU- H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1830, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 1819, 1820,
&end
#
# 107 LEU HA 108 GLN H 3.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1633, 1650, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 108 GLN H 108 GLN QG 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1650, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 1657, 1658,
&end
#
# 120 GLU- H 10 ILE QD1 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 161, 162, 163,
&end
#
# 107 LEU QQD 108 GLN H 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1650, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU QQD 108 GLN H 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1650, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 101 GLU- H 102 VAL H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1534, 1549, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 112 ASN HA 113 LEU H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1709, 1721, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 101 GLU- HA 102 VAL H 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1536, 1549, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 112 ASN QB 113 LEU H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1721, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1711, 1712,
&end
#
# 113 LEU H 56 VAL QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 868, 869, 870,
&end
#
# 113 LEU H 39 VAL QG2 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 615, 616, 617,
&end
#
# 102 VAL H 102 VAL QQG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1549, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 102 VAL H 102 VAL QQG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1549, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 113 LEU H 113 LEU QQD 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 134 ASP- H 136 MET H 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2047, 2070, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 136 MET H 137 MET H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2070, 2087, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 133 PHE H 134 ASP- H 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2027, 2047, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 133 PHE HB+ 134 ASP- H 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2047, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 2031, 2032,
&end
#
# 133 PHE HB- 134 ASP- H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2047, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 2031, 2032,
&end
#
# 117 SER H 121 PHE H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, 1845, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 121 PHE H 121 PHE QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1845, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1853, 1861,
&end
#
# 120 GLU- HB- 121 PHE H 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1845, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 1834, 1835,
&end
#
# 120 GLU- HG+ 121 PHE H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1837, 1838,
&end
#
# 120 GLU- HB+ 121 PHE H 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1845, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 1834, 1835,
&end
#
# 127 ILE H 128 VAL H 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, 1962, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 127 ILE H 66 TYR QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1020, 1029,
&end
#
# 127 ILE H 66 TYR QE 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 1022, 1027,
&end
#
# 123 GLU- HA 127 ILE H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, 1943, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 124 VAL HA 127 ILE H 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, 1943, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 126 ARG+ QD 127 ILE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1929, 1930,
&end
#
# 127 ILE H 127 ILE HG1+ 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 1953, 1954,
&end
#
# 127 ILE H 127 ILE HG1- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 1953, 1954,
&end
#
# 111 ASP- HB- 112 ASN H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1707, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1699, 1700,
&end
#
# 111 ASP- HB+ 112 ASN H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1707, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1699, 1700,
&end
#
# 124 VAL H 125 SER H 3.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, 1908, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 120 GLU- HA 124 VAL H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, 1892, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 123 GLU- QB 124 VAL H 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1892, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 1881, 1882,
&end
#
# 124 VAL H 62 ALA QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 965, 966, 967,
&end
#
# 124 VAL H 124 VAL QG2 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 1902, 1903, 1904,
&end
#
# 124 VAL H 10 ILE QD1 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 161, 162, 163,
&end
#
# 124 VAL H 10 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1892, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 154, 155, 156,
&end
#
# 135 SER HA 138 ASN H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2061, 2104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 MET QG 138 ASN H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2104, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 2094, 2095,
&end
#
# 137 MET HB- 138 ASN H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2091, 2092,
&end
#
# 137 MET QG 80 PHE QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2094, 2095,
igr2= 1241, 1245,
&end
#
# 137 MET QG 61 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2094, 2095,
igr2= 955, 956, 957,
&end
#
# 137 MET H 138 ASN H 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, 2104, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 137 MET H 80 PHE QE 5.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 1241, 1245,
&end
#
# 136 MET HA 137 MET H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, 2087, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 MET H 137 MET QG 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 2094, 2095,
&end
#
# 137 MET H 137 MET QE 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 2098, 2099, 2100,
&end
#
# 137 MET H 50 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 798, 799, 800,
&end
#
# 137 MET H 61 ILE QG2 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 948, 949, 950,
&end
#
# 137 MET H 61 ILE QD1 6.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2087, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 955, 956, 957,
&end
#
# 130 SER H 131 VAL QQG 6.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1985, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 130 SER H 131 VAL QQG 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1985, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2002, 2003, 2004, 2006, 2007, 2008,
&end
#
# 128 VAL QG1 130 SER H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1968, 1969, 1970,
&end
#
# 128 VAL QG2 130 SER H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1972, 1973, 1974,
&end
#
# 117 SER H 120 GLU- H 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, 1830, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 116 MET HA 117 SER H 3.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1775, 1790, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 116 MET HB3 117 SER H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1778, 1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 MET HG- 117 SER H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1780, 1781,
&end
#
# 116 MET HB2 117 SER H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1777, 1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 LEU HA 116 MET H 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, 1773, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 116 MET H 59 GLN QG 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 913, 914,
&end
#
# 115 PRO HG- 116 MET H 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 1763, 1764,
&end
#
# 115 PRO HB+ 116 MET H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1766, 1767,
&end
#
# 114 LEU HB2 116 MET H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, 1773, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 114 LEU HB3 116 MET H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1745, 1773, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 116 MET H 39 VAL QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 615, 616, 617,
&end
#
# 116 MET H 63 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 114 LEU QQD 116 MET H 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 114 LEU QQD 116 MET H 6.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 104 PRO HA 105 SER H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1592, 1596, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 117 SER QB 119 GLU- H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1815, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1794, 1795,
&end
#
# 118 PRO HD- 119 GLU- H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1815, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1802, 1803,
&end
#
# 104 PRO HB+ 105 SER H 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1596, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 1589, 1590,
&end
#
# 104 PRO HB- 105 SER H 2.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1596, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
igr1= 1589, 1590,
&end
#
# 117 SER HA 119 GLU- H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1792, 1815, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 124 VAL HA 128 VAL H 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1894, 1962, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 128 VAL H 69 LYS+ QE 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1962, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1073, 1074,
&end
#
# 127 ILE HB 128 VAL H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1947, 1962, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 127 ILE HG1+ 128 VAL H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1962, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1953, 1954,
&end
#
# 128 VAL H 69 LYS+ HD+ 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1962, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 1070, 1071,
&end
#
# 127 ILE HG1- 128 VAL H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1962, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 1953, 1954,
&end
#
# 128 VAL H 128 VAL QG2 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1962, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1972, 1973, 1974,
&end
#
# 128 VAL H 128 VAL QG1 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1962, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 1968, 1969, 1970,
&end
#
# 127 ILE QG2 128 VAL H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1962, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 1949, 1950, 1951,
&end
#
# 121 PHE HA 125 SER H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, 1908, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 122 ASP- HA 125 SER H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1867, 1908, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 124 VAL HB 125 SER H 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, 1908, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 124 VAL QG1 125 SER H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1908, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 1898, 1899, 1900,
&end
#
# 125 SER H 62 ALA QB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1908, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 965, 966, 967,
&end
#
# 135 SER H 136 MET H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2059, 2070, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 134 ASP- H 135 SER H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2047, 2059, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 138 ASN HB+ 139 THR H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2118, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 2108, 2109,
&end
#
# 138 ASN HB- 139 THR H 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2118, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 2108, 2109,
&end
#
# 108 GLN HA 108 GLN HE2- 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1652, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1662, 1663,
&end
#
# 108 GLN HA 108 GLN HE2+ 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1652, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1662, 1663,
&end
#
# 126 ARG+ QB 126 ARG+ HE 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1932, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 1923, 1924,
&end
#
# 112 ASN HA 114 LEU H 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1709, 1740, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 113 LEU HA 114 LEU H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1723, 1740, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 114 LEU H 56 VAL HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ASN QB 114 LEU H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1740, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1711, 1712,
&end
#
# 114 LEU H 35 LYS+ HE- 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 533, 534,
&end
#
# 114 LEU H 114 LEU HG 2.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, 1747, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 114 LEU H 39 VAL QG2 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 615, 616, 617,
&end
#
# 114 LEU H 114 LEU QQD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 114 LEU H 114 LEU QQD 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 123 GLU- H 126 ARG+ H 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1877, 1919, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 123 GLU- H 124 VAL H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1877, 1892, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 123 GLU- H 125 SER H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1877, 1908, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 121 PHE H 123 GLU- H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1845, 1877, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 121 PHE HA 123 GLU- H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1847, 1877, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 GLU- HA 123 GLU- H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1832, 1877, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 122 ASP- HB+ 123 GLU- H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1877, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 1869, 1870,
&end
#
# 122 ASP- HB- 123 GLU- H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1877, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 1869, 1870,
&end
#
# 123 GLU- H 10 ILE QD1 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1877, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 161, 162, 163,
&end
#
# 139 THR HA 140 VAL H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2120, 2132, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 139 THR QG2 140 VAL H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2132, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 2124, 2125, 2126,
&end
#
# 140 VAL H 140 VAL QQG 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2132, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 2138, 2139, 2140, 2142, 2143, 2144,
&end
#
# 89 ARG+ HA 89 ARG+ QD 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1403, 1404,
&end
#
# 88 LEU HA 88 LEU QQD 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HA 88 LEU QQD 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 86 HIS HA 86 HIS HD2 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1348, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 82 LEU HA 82 LEU QQD 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HA 82 LEU QQD 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ HA 75 LYS+ QD 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 1165, 1166,
&end
#
# 73 GLU- HG+ 76 CYS- HA 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1179, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1133, 1134,
&end
#
# 73 GLU- HG- 76 CYS- HA 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1179, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1133, 1134,
&end
#
# 68 ALA HA 71 CYS- HB+ 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 1104, 1103,
&end
#
# 68 ALA HA 71 CYS- HB- 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 1104, 1103,
&end
#
# 69 LYS+ HA 69 LYS+ QE 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 1073, 1074,
&end
#
# 68 ALA QB 81 CYSZ HA 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1253, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1054, 1055, 1056,
&end
#
# 63 LEU HA 66 TYR HB3 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 973, 1017, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 65 CYS HA 68 ALA QB 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1054, 1055, 1056,
&end
#
# 62 ALA HA 65 CYS HB3 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, 1006, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 59 GLN HA 62 ALA QB 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 965, 966, 967,
&end
#
# 47 LYS+ HA 47 LYS+ QE 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 737, 738,
&end
#
# 43 THR HA 46 CYS- HB+ 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 719, 718,
&end
#
# 43 THR HA 46 CYS- HB- 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 719, 718,
&end
#
# 63 LEU HA 63 LEU QQD 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU HA 63 LEU QQD 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 44 LYS+ HG+ 44 LYS+ QE 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 692, 693,
igr2= 698, 699,
&end
#
# 40 VAL QQG 44 LYS+ QD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 695, 696,
&end
#
# 44 LYS+ HA 44 LYS+ QD 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 695, 696,
&end
#
# 42 HIS HA 42 HIS HD2 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 667, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 15 GLN HB3 19 HIS QB 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 305, 306,
&end
#
# 39 VAL HA 42 HIS HB2 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 658, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 LEU HA 30 LEU QQD 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU HA 30 LEU QQD 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 24 ARG+ HA 24 ARG+ QD 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 376, 377,
&end
#
# 19 HIS HD2 33 CYSZ HB3 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 497, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 19 HIS HA 19 HIS HD2 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, 314, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 11 GLN HA 14 ILE QG2 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 225, 226, 227,
&end
#
# 11 GLN QB 14 ILE QD1 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 171, 172,
igr2= 232, 233, 234,
&end
#
# 8 LEU HA 8 LEU QQD 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU HA 8 LEU QQD 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 136 MET HA 84 ILE HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, 1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 MET QE 84 ILE HA 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 2081, 2082, 2083,
&end
#
# 136 MET HA 87 LYS+ HD- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1362, 1363,
&end
#
# 136 MET HA 87 LYS+ HD+ 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1362, 1363,
&end
#
# 136 MET HA 87 LYS+ QE 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1365, 1366,
&end
#
# 136 MET QE 87 LYS+ HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2081, 2082, 2083,
&end
#
# 136 MET QE 87 LYS+ HE- 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 2081, 2082, 2083,
igr2= 1365, 1366,
&end
#
# 136 MET QE 87 LYS+ HE+ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 2081, 2082, 2083,
igr2= 1365, 1366,
&end
#
# 136 MET QE 87 LYS+ HD+ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 2081, 2082, 2083,
igr2= 1362, 1363,
&end
#
# 136 MET QE 87 LYS+ HD- 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 2081, 2082, 2083,
igr2= 1362, 1363,
&end
#
# 136 MET QE 65 CYS HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1003, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2081, 2082, 2083,
&end
#
# 58 LYS+ HA 61 ILE HB 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, 946, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 61 ILE HA 61 ILE QD1 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 955, 956, 957,
&end
#
# 60 LEU HA 60 LEU QQD 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 85 LYS+ HD- 82 LEU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1323, 1324,
&end
#
# 85 LYS+ HD+ 82 LEU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1323, 1324,
&end
#
# 17 LEU QQD 40 VAL HA 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 79 PRO HD- 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 1218, 1219,
&end
#
# 14 ILE HA 17 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 60 LEU HA 60 LEU QQD 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 13 CYS HB2 63 LEU QQD 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 79 PRO HB- 80 PHE QD 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 1224, 1225,
igr2= 1239, 1247,
&end
#
# 79 PRO HB- 80 PHE QE 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 1224, 1225,
igr2= 1241, 1245,
&end
#
# 54 CYS- HA 55 PRO QD 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 845, 846,
&end
#
# 30 LEU HA 31 PRO HD- 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 469, 470,
&end
#
# 1 SER HA 2 PRO HG+ 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 17, 18,
&end
#
# 11 GLN HA 66 TYR QE 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 1022, 1027,
&end
#
# 66 TYR HA 66 TYR QE 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 1022, 1027,
&end
#
# 127 ILE HB 66 TYR QE 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1947, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1022, 1027,
&end
#
# 7 ARG+ QB 66 TYR QE 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 98, 99,
igr2= 1022, 1027,
&end
#
# 7 ARG+ HG- 66 TYR QE 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 101, 102,
igr2= 1022, 1027,
&end
#
# 128 VAL QG2 66 TYR QE 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1972, 1973, 1974,
igr2= 1022, 1027,
&end
#
# 127 ILE QD1 66 TYR QE 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 1956, 1957, 1958,
igr2= 1022, 1027,
&end
#
# 10 ILE QG2 66 TYR QE 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 154, 155, 156,
igr2= 1022, 1027,
&end
#
# 10 ILE HB 66 TYR QE 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1022, 1027,
&end
#
# 19 HIS HD2 20 ALA HA 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 320, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 19 HIS HD2 33 CYSZ HB2 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 498, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 19 HIS HD2 20 ALA QB 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 322, 323, 324,
&end
#
# 67 HIS HD2 78 VAL QG1 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 1207, 1208, 1209,
&end
#
# 64 CYS HA 67 HIS HD2 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1046, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 67 HIS HD2 68 ALA HA 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1052, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 67 HIS HD2 81 CYSZ HB3 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1255, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 HIS HD2 81 CYSZ HB2 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1256, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 67 HIS HD2 78 VAL HB 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1205, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 42 HIS HD2 56 VAL HB 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 862, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 42 HIS HD2 56 VAL QG1 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 864, 865, 866,
&end
#
# 42 HIS HD2 43 THR HB 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 675, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 80 PHE HA 80 PHE QD 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 1239, 1247,
&end
#
# 136 MET HA 84 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2072, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1307, 1308, 1309,
&end
#
# 80 PHE QD 83 ASN QB 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 1239, 1247,
igr2= 1284, 1285,
&end
#
# 79 PRO HG- 80 PHE QD 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 1221, 1222,
igr2= 1239, 1247,
&end
#
# 61 ILE QD1 80 PHE QD 7.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 955, 956, 957,
igr2= 1239, 1247,
&end
#
# 43 THR QG2 80 PHE QD 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 677, 678, 679,
igr2= 1239, 1247,
&end
#
# 60 LEU QQD 80 PHE QE 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1241, 1245,
&end
#
# 79 PRO HG- 80 PHE QE 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1221, 1222,
igr2= 1241, 1245,
&end
#
# 10 ILE HB 66 TYR QD 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1020, 1029,
&end
#
# 14 ILE HG1+ 66 TYR QD 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 229, 230,
igr2= 1020, 1029,
&end
#
# 128 VAL QG2 66 TYR QD 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 1972, 1973, 1974,
igr2= 1020, 1029,
&end
#
# 62 ALA QB 66 TYR QD 6.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 965, 966, 967,
igr2= 1020, 1029,
&end
#
# 14 ILE QD1 66 TYR QD 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 232, 233, 234,
igr2= 1020, 1029,
&end
#
# 10 ILE QG2 66 TYR QD 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 154, 155, 156,
igr2= 1020, 1029,
&end
#
# 127 ILE HB 66 TYR QD 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1947, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 1020, 1029,
&end
#
# 66 TYR QD 67 HIS HA 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1035, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 1020, 1029,
&end
#
# 66 TYR HA 66 TYR QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1020, 1029,
&end
#
# 67 HIS HE1 71 CYS- HA 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, 1101, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 67 HIS HE1 71 CYS- HB+ 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 1104, 1103,
&end
#
# 67 HIS HE1 71 CYS- HB- 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 1104, 1103,
&end
#
# 18 VAL QG2 67 HIS HE1 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1043, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 295, 296, 297,
&end
#
# 20 ALA HA 23 CYS- HB- 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 361, 360,
&end
#
# 73 GLU- HA 74 ASN QB 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1128, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 1145, 1146,
&end
#
# 36 MET HA 39 VAL QG2 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 615, 616, 617,
&end
#
# 36 MET HA 39 VAL QG1 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 611, 612, 613,
&end
#
# 47 LYS+ HA 47 LYS+ QD 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 734, 735,
&end
#
# 83 ASN HA 86 HIS QB 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1339, 1340,
&end
#
# 124 VAL HB 62 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LEU HA 91 GLN HB- 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1438, 1439,
&end
#
# 88 LEU HA 91 GLN QG 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 1441, 1442,
&end
#
# 1 SER HA 4 GLU- HB- 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 48, 49,
&end
#
# 1 SER HA 2 PRO HG- 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 17, 18,
&end
#
# 1 SER HA 4 GLU- HB+ 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 48, 49,
&end
#
# 1 SER HA 2 PRO HD+ 3.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 14, 15,
&end
#
# 49 LYS+ HA 54 CYS- HB+ 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 839, 838,
&end
#
# 49 LYS+ HA 57 CYSZ HB3 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, 878, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 49 LYS+ HA 57 CYSZ HB2 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, 879, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 76 CYS- HA 77 PRO HG- 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1191, 1192,
&end
#
# 76 CYS- HA 77 PRO HG+ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1191, 1192,
&end
#
# 48 ARG+ HA 54 CYS- HB- 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 839, 838,
&end
#
# 48 ARG+ HA 54 CYS- HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 839, 838,
&end
#
# 86 HIS QB 87 LYS+ HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1339, 1340,
&end
#
# 7 ARG+ QB 8 LEU HA 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 98, 99,
&end
#
# 17 LEU HA 36 MET QE 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 553, 554, 555,
&end
#
# 41 GLN HA 44 LYS+ QE 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 698, 699,
&end
#
# 7 ARG+ HA 7 ARG+ QD 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 104, 105,
&end
#
# 41 GLN HA 44 LYS+ QB 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 689, 690,
&end
#
# 41 GLN HA 44 LYS+ QD 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 695, 696,
&end
#
# 35 LYS+ HA 35 LYS+ HG+ 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 527, 528,
&end
#
# 35 LYS+ HA 35 LYS+ HG- 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 527, 528,
&end
#
# 58 LYS+ HA 61 ILE QG2 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 948, 949, 950,
&end
#
# 7 ARG+ HA 10 ILE QD1 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 161, 162, 163,
&end
#
# 7 ARG+ HA 10 ILE QG2 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 154, 155, 156,
&end
#
# 20 ALA QB 37 LYS+ HA 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 322, 323, 324,
&end
#
# 37 LYS+ HA 37 LYS+ QD 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 569, 570,
&end
#
# 37 LYS+ HA 40 VAL QQG 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 84 ILE QG2 85 LYS+ HA 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1315, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1300, 1301, 1302,
&end
#
# 85 LYS+ HA 88 LEU QQD 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HA 88 LEU QQD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 20 ALA HA 23 CYS- HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ILE QD1 67 HIS HA 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1035, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 232, 233, 234,
&end
#
# 19 HIS HA 22 GLN HG+ 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 346, 347,
&end
#
# 38 ARG+ HA 38 ARG+ HD- 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 591, 592,
&end
#
# 38 ARG+ HA 38 ARG+ HD+ 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 591, 592,
&end
#
# 13 CYS HB2 63 LEU QQD 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 62 ALA QB 65 CYS HB2 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 965, 966, 967,
&end
#
# 124 VAL QG1 65 CYS HB2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1898, 1899, 1900,
&end
#
# 77 PRO HG+ 21 CYS HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1191, 1192,
&end
#
# 18 VAL QG1 21 CYS HB3 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 291, 292, 293,
&end
#
# 13 CYS HB3 36 MET QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 553, 554, 555,
&end
#
# 13 CYS HB3 63 LEU QQD 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 13 CYS HB3 63 LEU QQD 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 133 PHE QE 58 LYS+ HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2037, 2041,
&end
#
# 133 PHE QE 58 LYS+ HG+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2037, 2041,
igr2= 891, 892,
&end
#
# 133 PHE QE 58 LYS+ HG- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2037, 2041,
igr2= 891, 892,
&end
#
# 133 PHE QD 58 LYS+ HG+ 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2035, 2043,
igr2= 891, 892,
&end
#
# 133 PHE QD 58 LYS+ HG- 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2035, 2043,
igr2= 891, 892,
&end
#
# 133 PHE QE 58 LYS+ QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2037, 2041,
igr2= 894, 895,
&end
#
# 133 PHE QD 58 LYS+ QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2035, 2043,
igr2= 894, 895,
&end
#
# 133 PHE QE 58 LYS+ QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2037, 2041,
igr2= 897, 898,
&end
#
# 133 PHE QD 58 LYS+ QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2035, 2043,
igr2= 897, 898,
&end
#
# 133 PHE QE 61 ILE QD1 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 2037, 2041,
igr2= 955, 956, 957,
&end
#
# 133 PHE QD 61 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2035, 2043,
igr2= 955, 956, 957,
&end
#
# 133 PHE QE 61 ILE QG2 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 2037, 2041,
igr2= 948, 949, 950,
&end
#
# 133 PHE QD 61 ILE QG2 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 2035, 2043,
igr2= 948, 949, 950,
&end
#
# 133 PHE QD 65 CYS HB3 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1006, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2035, 2043,
&end
#
# 133 PHE QE 84 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2037, 2041,
igr2= 1307, 1308, 1309,
&end
#
# 133 PHE QD 84 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2035, 2043,
igr2= 1307, 1308, 1309,
&end
#
# 133 PHE QD 84 ILE QG2 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 2035, 2043,
igr2= 1300, 1301, 1302,
&end
#
# 133 PHE QE 84 ILE QG2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2037, 2041,
igr2= 1300, 1301, 1302,
&end
#
# 30 LEU HB2 33 CYSZ HB2 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 62 ALA HA 65 CYS HB2 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, 1005, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 78 VAL QG1 81 CYSZ HB3 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1255, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1207, 1208, 1209,
&end
#
# 78 VAL HB 81 CYSZ HB3 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1255, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 83 ASN QB 86 HIS QB 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 1284, 1285,
igr2= 1339, 1340,
&end
#
# 32 SER HA 35 LYS+ HB- 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 524, 525,
&end
#
# 32 SER HA 35 LYS+ HB+ 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 524, 525,
&end
#
# 9 SER QB 12 ARG+ HG- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 141, 142,
igr2= 191, 192,
&end
#
# 27 ASN HA 28 CYS- HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 416, 430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 SER HA 8 LEU QQD 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 5 SER HA 8 LEU HB3 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, 123, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 5 SER HA 8 LEU HB2 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, 122, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 66 TYR HA 69 LYS+ HD+ 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1070, 1071,
&end
#
# 124 VAL QG1 66 TYR HA 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1014, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1898, 1899, 1900,
&end
#
# 86 HIS HA 89 ARG+ HG- 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 1400, 1401,
&end
#
# 86 HIS HA 89 ARG+ HG+ 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1400, 1401,
&end
#
# 86 HIS HA 89 ARG+ HB- 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 1397, 1398,
&end
#
# 16 SER HA 19 HIS QB 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 305, 306,
&end
#
# 16 SER HB2 19 HIS QB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 305, 306,
&end
#
# 16 SER HB2 36 MET HG+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 549, 550,
&end
#
# 16 SER HB2 36 MET HG- 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 549, 550,
&end
#
# 16 SER HB3 36 MET HG+ 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 549, 550,
&end
#
# 16 SER HB3 36 MET HG- 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 549, 550,
&end
#
# 30 LEU HB3 33 CYSZ HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, 495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 CYSZ HA 36 MET HB3 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 547, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 20 ALA QB 33 CYSZ HA 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 322, 323, 324,
&end
#
# 19 HIS HD2 33 CYSZ HA 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 495, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 79 PRO HA 82 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1227, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 65 CYS HA 84 ILE QG2 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 1300, 1301, 1302,
&end
#
# 65 CYS HA 84 ILE QD1 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 1307, 1308, 1309,
&end
#
# 14 ILE HA 17 LEU HB- 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 270, 271,
&end
#
# 14 ILE HA 63 LEU QQD 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE HA 17 LEU HB+ 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 270, 271,
&end
#
# 14 ILE HA 15 GLN HA 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 50 THR HA 58 LYS+ QD 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 894, 895,
&end
#
# 67 HIS HD2 81 CYSZ HA 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1253, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 78 VAL HB 81 CYSZ HA 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1253, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 81 CYSZ HA 84 ILE HB 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1298, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 81 CYSZ HA 84 ILE QD1 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 1307, 1308, 1309,
&end
#
# 81 CYSZ HA 84 ILE QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1300, 1301, 1302,
&end
#
# 64 CYS HA 67 HIS HB3 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1038, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 63 LEU QQD 64 CYS HA 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 64 CYS HA 84 ILE QD1 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 1307, 1308, 1309,
&end
#
# 55 PRO HA 58 LYS+ QB 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 888, 889,
&end
#
# 55 PRO HA 58 LYS+ QD 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 894, 895,
&end
#
# 84 ILE HA 88 LEU QQD 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 84 ILE HA 88 LEU QQD 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 10 ILE HA 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 10 ILE HA 10 ILE QD1 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 161, 162, 163,
&end
#
# 57 CYSZ HA 60 LEU HG 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, 930, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 43 THR QG2 57 CYSZ HA 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 677, 678, 679,
&end
#
# 56 VAL QG1 57 CYSZ HA 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 864, 865, 866,
&end
#
# 57 CYSZ HA 60 LEU QQD 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 42 HIS HD2 43 THR HA 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 673, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 114 LEU QQD 56 VAL HA 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 40 VAL HA 60 LEU QQD 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 38 ARG+ HB+ 39 VAL HA 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 585, 586,
&end
#
# 40 VAL HA 43 THR QG2 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 677, 678, 679,
&end
#
# 113 LEU QQD 39 VAL HA 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 40 VAL HA 43 THR HB 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 675, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 39 VAL HA 42 HIS HB3 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 659, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 ILE QD1 66 TYR HB2 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1016, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 232, 233, 234,
&end
#
# 50 THR HB 58 LYS+ HE- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 897, 898,
&end
#
# 137 MET QE 50 THR HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2098, 2099, 2100,
&end
#
# 50 THR HB 58 LYS+ QD 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 894, 895,
&end
#
# 43 THR HB 60 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR HB 60 LEU QQD 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 25 ASN HB+ 28 CYS- HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 394, 395,
&end
#
# 25 ASN HB- 28 CYS- HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 394, 395,
&end
#
# 74 ASN QB 75 LYS+ QD 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1145, 1146,
igr2= 1165, 1166,
&end
#
# 74 ASN QB 82 LEU QQD 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 1145, 1146,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 26 ALA QB 27 ASN HB2 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 408, 409, 410,
&end
#
# 43 THR HB 80 PHE QE 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 1241, 1245,
&end
#
# 40 VAL QQG 79 PRO HD+ 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 1218, 1219,
&end
#
# 78 VAL QG1 79 PRO HD+ 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 1207, 1208, 1209,
igr2= 1218, 1219,
&end
#
# 40 VAL QQG 79 PRO HD- 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 1218, 1219,
&end
#
# 78 VAL QG1 79 PRO HD- 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1207, 1208, 1209,
igr2= 1218, 1219,
&end
#
# 30 LEU HB2 31 PRO HD- 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 469, 470,
&end
#
# 30 LEU HB3 31 PRO HD- 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 469, 470,
&end
#
# 2 PRO HD- 4 GLU- HB- 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 14, 15,
igr2= 48, 49,
&end
#
# 26 ALA HA 27 ASN HA 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 26 ALA QB 27 ASN HA 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 408, 409, 410,
&end
#
# 75 LYS+ HA 82 LEU QQD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ HA 75 LYS+ QE 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 1168, 1169,
&end
#
# 74 ASN QB 75 LYS+ HA 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1157, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 1145, 1146,
&end
#
# 30 LEU HA 31 PRO HD+ 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 469, 470,
&end
#
# 74 ASN HA 82 LEU QQD 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 70 HIS HA 70 HIS HD2 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1084, 1095, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 40 VAL QQG 79 PRO HG+ 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 1221, 1222,
&end
#
# 55 PRO HG+ 56 VAL QG2 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 848, 849,
igr2= 868, 869, 870,
&end
#
# 114 LEU QQD 55 PRO HG+ 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 848, 849,
&end
#
# 43 THR QG2 60 LEU QQD 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 677, 678, 679,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 116 MET HG+ 63 LEU QQD 6.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 1780, 1781,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 54 CYS- HA 55 PRO HG+ 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 848, 849,
&end
#
# 54 CYS- HA 55 PRO HG- 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 848, 849,
&end
#
# 17 LEU HG 36 MET QE 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 553, 554, 555,
&end
#
# 30 LEU HA 31 PRO HG+ 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 472, 473,
&end
#
# 30 LEU HA 31 PRO HG- 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 472, 473,
&end
#
# 30 LEU QQD 31 PRO HG- 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 472, 473,
&end
#
# 48 ARG+ HG- 54 CYS- HB- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 48 ARG+ HG+ 54 CYS- HB+ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 48 ARG+ HG+ 54 CYS- HB- 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 20 ALA HA 23 CYS- HB+ 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 361, 360,
&end
#
# 23 CYS- HB+ 37 LYS+ HE+ 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 361, 360,
igr2= 572, 573,
&end
#
# 23 CYS- HB+ 37 LYS+ HE- 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 361, 360,
igr2= 572, 573,
&end
#
# 14 ILE HG1+ 63 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 229, 230,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 128 VAL QG1 69 LYS+ HD- 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1968, 1969, 1970,
igr2= 1070, 1071,
&end
#
# 69 LYS+ HD- 127 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1070, 1071,
igr2= 1956, 1957, 1958,
&end
#
# 14 ILE HG1- 63 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 229, 230,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 17 LEU QQD 18 VAL HA 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 36 MET HB3 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 60 LEU HG 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 36 MET QE 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 553, 554, 555,
&end
#
# 17 LEU QQD 60 LEU QQD 6.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 17 LEU QQD 78 VAL QG2 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 1211, 1212, 1213,
&end
#
# 17 LEU HA 17 LEU QQD 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 60 LEU HA 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 30 LEU HG 31 PRO HD- 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 469, 470,
&end
#
# 25 ASN HB- 28 CYS- QB 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 394, 395,
igr2= 433, 432,
&end
#
# 30 LEU HB2 33 CYSZ HB3 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, 497, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 71 CYS- HB- 72 GLN HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1104, 1103,
&end
#
# 75 LYS+ HB- 75 LYS+ QE 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1159, 1160,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HB+ 75 LYS+ QE 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 1159, 1160,
igr2= 1168, 1169,
&end
#
# 37 LYS+ HA 40 VAL HB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 GLN HA 18 VAL HB 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 289, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 78 VAL HB 81 CYSZ HB2 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1256, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 48 ARG+ QB 54 CYS- HB- 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 750, 751,
igr2= 839, 838,
&end
#
# 69 LYS+ HB+ 69 LYS+ QE 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 1064, 1065,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HB- 69 LYS+ QE 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 1064, 1065,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HB- 88 LEU QQD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1064, 1065,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HB+ 88 LEU QQD 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1064, 1065,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 114 LEU QQD 55 PRO HB+ 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 851, 852,
&end
#
# 36 MET HA 39 VAL HB 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 609, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 18 VAL QG1 22 GLN HG- 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 291, 292, 293,
igr2= 346, 347,
&end
#
# 17 LEU HA 36 MET HG+ 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 549, 550,
&end
#
# 73 GLU- HG- 76 CYS- HB+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- HG- 76 CYS- HB- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- HG+ 76 CYS- HB+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- HG+ 76 CYS- HB- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 2 PRO HD- 4 GLU- QG 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 14, 15,
igr2= 51, 52,
&end
#
# 4 GLU- QG 8 LEU HG 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 51, 52,
&end
#
# 11 GLN HA 14 ILE HB 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, 223, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 30 LEU HB2 30 LEU QQD 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU HB3 33 CYSZ HB2 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, 498, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 LEU HB3 33 CYSZ HB3 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, 497, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 30 LEU HB2 33 CYSZ HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 LEU HB3 31 PRO HD+ 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 469, 470,
&end
#
# 11 GLN HA 14 ILE QD1 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 232, 233, 234,
&end
#
# 14 ILE HA 14 ILE QD1 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 232, 233, 234,
&end
#
# 14 ILE QD1 67 HIS HB3 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1038, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 232, 233, 234,
&end
#
# 14 ILE QD1 66 TYR HB3 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1017, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 232, 233, 234,
&end
#
# 14 ILE QD1 67 HIS HB2 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1037, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 232, 233, 234,
&end
#
# 14 ILE QD1 63 LEU HG 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 232, 233, 234,
&end
#
# 14 ILE QG2 14 ILE QD1 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 225, 226, 227,
igr2= 232, 233, 234,
&end
#
# 14 ILE QD1 66 TYR QE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 232, 233, 234,
igr2= 1022, 1027,
&end
#
# 133 PHE QE 61 ILE HB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2037, 2041,
&end
#
# 11 GLN HG- 14 ILE QD1 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 174, 175,
igr2= 232, 233, 234,
&end
#
# 123 GLU- HA 10 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 161, 162, 163,
&end
#
# 123 GLU- QB 10 ILE QD1 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1881, 1882,
igr2= 161, 162, 163,
&end
#
# 36 MET HA 36 MET QE 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 553, 554, 555,
&end
#
# 13 CYS HA 36 MET QE 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 553, 554, 555,
&end
#
# 16 SER HB2 36 MET QE 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 553, 554, 555,
&end
#
# 13 CYS HB2 36 MET QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 553, 554, 555,
&end
#
# 16 SER HB3 36 MET QE 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 553, 554, 555,
&end
#
# 17 LEU HB+ 36 MET QE 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 270, 271,
igr2= 553, 554, 555,
&end
#
# 17 LEU HB- 36 MET QE 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 270, 271,
igr2= 553, 554, 555,
&end
#
# 36 MET QE 63 LEU QQD 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 553, 554, 555,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 116 MET QE 62 ALA QB 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 1784, 1785, 1786,
igr2= 965, 966, 967,
&end
#
# 124 VAL QG1 62 ALA QB 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1898, 1899, 1900,
igr2= 965, 966, 967,
&end
#
# 25 ASN HB+ 26 ALA QB 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 394, 395,
igr2= 408, 409, 410,
&end
#
# 20 ALA QB 36 MET HG+ 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 322, 323, 324,
igr2= 549, 550,
&end
#
# 20 ALA QB 33 CYSZ HB3 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 322, 323, 324,
&end
#
# 20 ALA QB 36 MET HG- 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 322, 323, 324,
igr2= 549, 550,
&end
#
# 20 ALA QB 36 MET HB2 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 322, 323, 324,
&end
#
# 68 ALA QB 85 LYS+ HE+ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1054, 1055, 1056,
igr2= 1326, 1327,
&end
#
# 68 ALA QB 81 CYSZ HB3 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1255, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 81 CYSZ HB2 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1256, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 84 ILE HB 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1298, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 71 CYS- HB+ 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1054, 1055, 1056,
igr2= 1104, 1103,
&end
#
# 17 LEU QQD 20 ALA QB 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 322, 323, 324,
&end
#
# 68 ALA QB 84 ILE QG2 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 1054, 1055, 1056,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA QB 84 ILE QD1 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 1054, 1055, 1056,
igr2= 1307, 1308, 1309,
&end
#
# 67 HIS HD2 68 ALA QB 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1054, 1055, 1056,
&end
#
# 20 ALA QB 36 MET HA 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 322, 323, 324,
&end
#
# 68 ALA QB 69 LYS+ HA 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 84 ILE HA 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 1054, 1055, 1056,
&end
#
# 43 THR QG2 60 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 677, 678, 679,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR QG2 56 VAL QG1 7.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 677, 678, 679,
igr2= 864, 865, 866,
&end
#
# 43 THR QG2 46 CYS- HB- 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 677, 678, 679,
igr2= 719, 718,
&end
#
# 43 THR QG2 44 LYS+ QB 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 677, 678, 679,
igr2= 689, 690,
&end
#
# 43 THR QG2 49 LYS+ QE 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678, 679,
igr2= 783, 784,
&end
#
# 43 THR QG2 46 CYS- HB+ 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 677, 678, 679,
igr2= 719, 718,
&end
#
# 43 THR QG2 44 LYS+ HA 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 677, 678, 679,
&end
#
# 43 THR QG2 80 PHE QE 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 677, 678, 679,
igr2= 1241, 1245,
&end
#
# 42 HIS HD2 43 THR QG2 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 677, 678, 679,
&end
#
# 50 THR QG2 57 CYSZ HB3 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 798, 799, 800,
&end
#
# 50 THR QG2 57 CYSZ HB2 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 798, 799, 800,
&end
#
# 50 THR QG2 49 LYS+ HB- 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 798, 799, 800,
igr2= 774, 775,
&end
#
# 50 THR QG2 58 LYS+ QB 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 798, 799, 800,
igr2= 888, 889,
&end
#
# 50 THR QG2 58 LYS+ QD 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 798, 799, 800,
igr2= 894, 895,
&end
#
# 50 THR QG2 58 LYS+ HA 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 798, 799, 800,
&end
#
# 50 THR QG2 61 ILE QG2 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 798, 799, 800,
igr2= 948, 949, 950,
&end
#
# 50 THR QG2 61 ILE QD1 6.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 798, 799, 800,
igr2= 955, 956, 957,
&end
#
# 35 LYS+ HA 39 VAL QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 615, 616, 617,
&end
#
# 35 LYS+ HE+ 39 VAL QG2 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 533, 534,
igr2= 615, 616, 617,
&end
#
# 38 ARG+ HB- 39 VAL QG2 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 585, 586,
igr2= 615, 616, 617,
&end
#
# 115 PRO HG+ 39 VAL QG2 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 1763, 1764,
igr2= 615, 616, 617,
&end
#
# 113 LEU QQD 39 VAL QG2 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 615, 616, 617,
&end
#
# 74 ASN QB 75 LYS+ HG+ 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1145, 1146,
igr2= 1162, 1163,
&end
#
# 74 ASN QB 75 LYS+ HG- 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1145, 1146,
igr2= 1162, 1163,
&end
#
# 40 VAL QQG 44 LYS+ HG+ 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 692, 693,
&end
#
# 40 VAL QQG 44 LYS+ HG+ 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 692, 693,
&end
#
# 40 VAL QQG 44 LYS+ HG- 6.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 692, 693,
&end
#
# 57 CYSZ HB3 61 ILE QD1 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 955, 956, 957,
&end
#
# 57 CYSZ HA 61 ILE QD1 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 955, 956, 957,
&end
#
# 43 THR QG2 61 ILE QD1 6.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 677, 678, 679,
igr2= 955, 956, 957,
&end
#
# 61 ILE QG2 61 ILE QD1 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 948, 949, 950,
igr2= 955, 956, 957,
&end
#
# 84 ILE HA 84 ILE QD1 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 1307, 1308, 1309,
&end
#
# 64 CYS HB3 84 ILE QD1 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 1307, 1308, 1309,
&end
#
# 83 ASN QB 84 ILE QD1 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 1284, 1285,
igr2= 1307, 1308, 1309,
&end
#
# 64 CYS HB2 84 ILE QD1 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 1307, 1308, 1309,
&end
#
# 80 PHE QD 84 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1239, 1247,
igr2= 1307, 1308, 1309,
&end
#
# 10 ILE QG2 10 ILE QD1 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 154, 155, 156,
igr2= 161, 162, 163,
&end
#
# 10 ILE QG2 11 GLN HA 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 154, 155, 156,
&end
#
# 14 ILE QG2 15 GLN HA 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 67 HIS HB2 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1037, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 67 HIS HA 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1035, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 67 HIS HB3 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1038, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 78 VAL QG2 7.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 225, 226, 227,
igr2= 1211, 1212, 1213,
&end
#
# 61 ILE QG2 62 ALA HA 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 948, 949, 950,
&end
#
# 61 ILE QG2 62 ALA QB 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 948, 949, 950,
igr2= 965, 966, 967,
&end
#
# 65 CYS HB2 84 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA HA 84 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1300, 1301, 1302,
&end
#
# 81 CYSZ HA 84 ILE QG2 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 1300, 1301, 1302,
&end
#
# 65 CYS HB3 84 ILE QG2 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1006, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 1300, 1301, 1302,
&end
#
# 18 VAL QG1 78 VAL QG2 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 291, 292, 293,
igr2= 1211, 1212, 1213,
&end
#
# 18 VAL QG1 22 GLN HG+ 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 291, 292, 293,
igr2= 346, 347,
&end
#
# 15 GLN HA 18 VAL QG1 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 291, 292, 293,
&end
#
# 18 VAL QG1 19 HIS HA 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 291, 292, 293,
&end
#
# 18 VAL QG1 67 HIS HE1 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1043, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 291, 292, 293,
&end
#
# 40 VAL QQG 44 LYS+ QE 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 698, 699,
&end
#
# 40 VAL QQG 44 LYS+ QB 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 689, 690,
&end
#
# 55 PRO QD 56 VAL QG2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 845, 846,
igr2= 868, 869, 870,
&end
#
# 114 LEU HA 56 VAL QG2 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 868, 869, 870,
&end
#
# 55 PRO HA 56 VAL QG2 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 868, 869, 870,
&end
#
# 55 PRO HG- 56 VAL QG2 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 848, 849,
igr2= 868, 869, 870,
&end
#
# 110 THR QG2 56 VAL QG2 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1687, 1688, 1689,
igr2= 868, 869, 870,
&end
#
# 114 LEU QQD 56 VAL QG2 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 868, 869, 870,
&end
#
# 39 VAL QG1 56 VAL QG1 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 611, 612, 613,
igr2= 864, 865, 866,
&end
#
# 56 VAL QG1 60 LEU QQD 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 864, 865, 866,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 39 VAL QG2 56 VAL QG1 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 615, 616, 617,
igr2= 864, 865, 866,
&end
#
# 56 VAL QG1 59 GLN HB+ 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 864, 865, 866,
igr2= 910, 911,
&end
#
# 39 VAL HA 56 VAL QG1 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 864, 865, 866,
&end
#
# 114 LEU HA 56 VAL QG1 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 864, 865, 866,
&end
#
# 30 LEU QQD 31 PRO HD+ 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 469, 470,
&end
#
# 30 LEU QQD 31 PRO HD- 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 469, 470,
&end
#
# 30 LEU QQD 33 CYSZ HB2 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 33 CYSZ HB3 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 31 PRO HG+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 472, 473,
&end
#
# 85 LYS+ HA 88 LEU QQD 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ QE 88 LEU QQD 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 1073, 1074,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU QQD 91 GLN QG 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
igr2= 1441, 1442,
&end
#
# 4 GLU- HB+ 8 LEU QQD 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 48, 49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 4 GLU- QG 8 LEU QQD 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 51, 52,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 116 MET QE 63 LEU QQD 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1784, 1785, 1786,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 76 CYS- HB- 82 LEU QQD 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1182, 1181,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 76 CYS- HB+ 82 LEU QQD 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 1182, 1181,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 76 CYS- HB- 82 LEU QQD 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 1182, 1181,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 40 VAL QQG 44 LYS+ QE 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 698, 699,
&end
#
# 75 LYS+ HA 82 LEU QQD 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 74 ASN HA 82 LEU QQD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU QQD 86 HIS HD2 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1348, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 60 LEU QQD 80 PHE QE 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1241, 1245,
&end
#
# 78 VAL QG2 79 PRO HD- 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 1211, 1212, 1213,
igr2= 1218, 1219,
&end
#
# 21 CYS HB2 78 VAL QG2 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 1211, 1212, 1213,
&end
#
# 78 VAL QG2 81 CYSZ HB2 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1256, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1211, 1212, 1213,
&end
#
# 18 VAL QG2 78 VAL QG2 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 295, 296, 297,
igr2= 1211, 1212, 1213,
&end
#
# 67 HIS HD2 78 VAL QG2 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1211, 1212, 1213,
&end
#
# 67 HIS HE1 78 VAL QG2 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 1211, 1212, 1213,
&end
#
# 8 LEU QQD 11 GLN HG+ 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 174, 175,
&end
#
# 4 GLU- QG 8 LEU QQD 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 51, 52,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 4 GLU- HB+ 8 LEU QQD 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 48, 49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 7 ARG+ QD 8 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 104, 105,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 30 LEU QQD 31 PRO HD+ 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 469, 470,
&end
#
# 30 LEU QQD 31 PRO HD- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 469, 470,
&end
#
# 30 LEU QQD 33 CYSZ HB2 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 33 CYSZ HB3 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 31 PRO HG+ 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 472, 473,
&end
#
# 30 LEU QQD 31 PRO HG- 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 472, 473,
&end
#
# 30 LEU HB3 30 LEU QQD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 19 HIS HD2 30 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 17 LEU QQD 78 VAL QG2 6.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 1211, 1212, 1213,
&end
#
# 17 LEU QQD 60 LEU QQD 7.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 17 LEU QQD 36 MET HB3 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 36 MET QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 553, 554, 555,
&end
#
# 17 LEU QQD 36 MET HB2 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 36 MET HG+ 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 549, 550,
&end
#
# 17 LEU HA 17 LEU QQD 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 3 GLN H 4 GLU- H 3.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, 44, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 5 SER H 6 ARG+ H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 59, 70, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 6 ARG+ H 6 ARG+ HD+ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 80, 81,
&end
#
# 6 ARG+ H 6 ARG+ HD- 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 80, 81,
&end
#
# 5 SER H 7 ARG+ H 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 59, 94, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 SER H 10 ILE H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 137, 148, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 21 CYS H 22 GLN H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, 339, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 22 GLN H 23 CYS- H 2.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, 356, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 24 ARG+ H 25 ASN H 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 366, 390, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 74 ASN H 76 CYS- H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, 1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 CYSZ H 34 GLN H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 38 ARG+ H 40 VAL H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 621, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 42 HIS H 42 HIS HD2 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 667, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 43 THR H 43 THR HG1 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 47 LYS+ H 48 ARG+ H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 724, 746, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 54 CYS- HA 56 VAL H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 56 VAL QG1 57 CYSZ H 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 864, 865, 866,
&end
#
# 57 CYSZ H 58 LYS+ H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 58 LYS+ H 59 GLN H 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 59 GLN H 60 LEU H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, 923, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 114 LEU QQD 59 GLN HE2+ 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
igr2= 918, 919,
&end
#
# 60 LEU H 61 ILE H 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 63 LEU H 64 CYS H 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, 990, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 19 HIS H 20 ALA H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, 318, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 20 ALA H 21 CYS H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 83 ASN QB 84 ILE H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1294, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 1284, 1285,
&end
#
# 71 CYS- H 72 GLN H 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, 1109, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 86 HIS H 87 LYS+ H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1352, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 90 GLN H 91 GLN H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, 1434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 91 GLN HA 92 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, 1451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 GLN H 92 GLN QG 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 1458, 1459,
&end
#
# 91 GLN HB+ 92 GLN H 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1451, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 1438, 1439,
&end
#
# 25 ASN HB+ 26 ALA H 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 394, 395,
&end
#
# 25 ASN HB- 26 ALA H 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 394, 395,
&end
#
# 26 ALA H 27 ASN HB2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404, 418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA H 25 ASN HA 2.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404, 392, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 24 ARG+ H 24 ARG+ QD 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 376, 377,
&end
#
# 23 CYS- HB+ 24 ARG+ H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 361, 360,
&end
#
# 76 CYS- HA 78 VAL H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, 1201, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 78 VAL H 79 PRO HD- 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1218, 1219,
&end
#
# 78 VAL H 81 CYSZ HB3 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, 1255, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 21 CYS HB2 78 VAL H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, 1201, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 77 PRO HG+ 78 VAL H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 1191, 1192,
&end
#
# 77 PRO HG- 78 VAL H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 1191, 1192,
&end
#
# 18 VAL QG2 78 VAL H 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 295, 296, 297,
&end
#
# 78 VAL H 82 LEU QQD 5.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 78 VAL H 78 VAL QG1 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 1207, 1208, 1209,
&end
#
# 78 VAL H 78 VAL QG2 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 1211, 1212, 1213,
&end
#
# 51 ASN H 52 GLY H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASN QB 52 GLY H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 810, 811,
&end
#
# 29 SER H 30 LEU H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, 449, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 72 GLN H 73 GLU- HA 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1109, 1128, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 71 CYS- HA 72 GLN H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1101, 1109, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 71 CYS- HB+ 72 GLN H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1104, 1103,
&end
#
# 72 GLN H 73 GLU- HB+ 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1109, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 1130, 1131,
&end
#
# 30 LEU H 34 GLN HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 510, 511,
&end
#
# 30 LEU H 34 GLN HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 510, 511,
&end
#
# 30 LEU H 33 CYSZ HB3 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 497, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 30 LEU H 28 CYS- QB 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 433, 432,
&end
#
# 30 LEU H 31 PRO HD- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 469, 470,
&end
#
# 30 LEU H 29 SER HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 LEU H 28 CYS- HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU H 31 PRO HD+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 469, 470,
&end
#
# 30 LEU H 29 SER HB3 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 SER HA 30 LEU H 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, 449, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 17 LEU H 63 LEU QQD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE QG2 17 LEU H 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 225, 226, 227,
&end
#
# 17 LEU H 17 LEU HG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, 273, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 17 LEU H 36 MET HB3 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, 547, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 17 LEU H 36 MET QE 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 553, 554, 555,
&end
#
# 17 LEU H 36 MET HG+ 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 549, 550,
&end
#
# 14 ILE HA 17 LEU H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 266, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 16 SER HB3 17 LEU H 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 260, 266, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 16 SER HB2 17 LEU H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, 266, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 13 CYS HA 17 LEU H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, 266, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 16 SER H 17 LEU H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, 266, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 17 LEU H 18 VAL H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, 285, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 73 GLU- HG- 74 ASN H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1141, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1133, 1134,
&end
#
# 73 GLU- HG+ 74 ASN H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1141, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1133, 1134,
&end
#
# 73 GLU- HB+ 74 ASN H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1141, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 1130, 1131,
&end
#
# 74 ASN H 75 LYS+ HB- 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1159, 1160,
&end
#
# 74 ASN H 75 LYS+ QD 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1165, 1166,
&end
#
# 74 ASN H 75 LYS+ HG+ 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1162, 1163,
&end
#
# 73 GLU- HA 74 ASN H 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1128, 1141, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 28 CYS- HA 29 SER H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, 438, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 30 LEU H 29 SER H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 438, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 28 CYS- QB 29 SER H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 433, 432,
&end
#
# 74 ASN H 75 LYS+ QE 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1168, 1169,
&end
#
# 36 MET HA 39 VAL H 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 605, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 38 ARG+ HD- 39 VAL H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 591, 592,
&end
#
# 38 ARG+ HB- 39 VAL H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 585, 586,
&end
#
# 38 ARG+ HB+ 39 VAL H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 585, 586,
&end
#
# 39 VAL H 39 VAL QG2 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 615, 616, 617,
&end
#
# 39 VAL H 39 VAL QG1 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 611, 612, 613,
&end
#
# 39 VAL H 40 VAL QQG 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 72 GLN H 73 GLU- H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1109, 1126, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 GLU- H 74 ASN H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, 1141, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 CYS- HA 73 GLU- H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1101, 1126, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 73 GLU- H 76 CYS- HB- 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1182, 1181,
&end
#
# 73 GLU- H 76 CYS- HB+ 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 1182, 1181,
&end
#
# 48 ARG+ H 47 LYS+ HA 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, 726, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 48 ARG+ H 48 ARG+ HD- 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 756, 757,
&end
#
# 48 ARG+ H 48 ARG+ HD+ 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 756, 757,
&end
#
# 48 ARG+ H 49 LYS+ QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 774, 775,
&end
#
# 48 ARG+ H 49 LYS+ QG 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 777, 778,
&end
#
# 48 ARG+ H 54 CYS- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, 834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ARG+ H 46 CYS- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ARG+ H 48 ARG+ HG+ 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 753, 754,
&end
#
# 48 ARG+ H 48 ARG+ HG- 3.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr2= 753, 754,
&end
#
# 42 HIS HD2 57 CYSZ H 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 874, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 8 LEU HA 10 ILE H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, 148, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 9 SER HB- 10 ILE H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 141, 142,
&end
#
# 9 SER HB+ 10 ILE H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 10 ILE H 10 ILE HG1+ 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 158, 159,
&end
#
# 10 ILE H 10 ILE HG1- 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 158, 159,
&end
#
# 10 ILE H 10 ILE QD1 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 161, 162, 163,
&end
#
# 10 ILE H 10 ILE QG2 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 154, 155, 156,
&end
#
# 46 CYS- HA 48 ARG+ H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 716, 746, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 54 CYS- H 53 GLY QA 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 54 CYS- H 48 ARG+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 756, 757,
&end
#
# 5 SER QB 6 ARG+ H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 63, 64,
&end
#
# 4 GLU- HA 6 ARG+ H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, 70, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 123 GLU- QG 6 ARG+ H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
&end
#
# 6 ARG+ H 6 ARG+ HG+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 77, 78,
&end
#
# 6 ARG+ H 6 ARG+ HG- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 77, 78,
&end
#
# 68 ALA H 69 LYS+ H 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1060, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 67 HIS HD2 68 ALA H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1050, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 68 ALA H 71 CYS- H 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1099, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 64 CYS HA 68 ALA H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1050, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 67 HIS HB3 68 ALA H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1038, 1050, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 67 HIS HB2 68 ALA H 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1037, 1050, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 68 ALA H 84 ILE QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA H 84 ILE QD1 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 1307, 1308, 1309,
&end
#
# 81 CYSZ HA 84 ILE H 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1294, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 16 SER HA 20 ALA H 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 318, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 LEU HA 20 ALA H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, 318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 19 HIS QB 20 ALA H 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 305, 306,
&end
#
# 20 ALA H 36 MET HB2 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 546, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 20 ALA H 36 MET QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 549, 550,
&end
#
# 84 ILE H 84 ILE QG2 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1300, 1301, 1302,
&end
#
# 84 ILE H 84 ILE QD1 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 1307, 1308, 1309,
&end
#
# 74 ASN HA 75 LYS+ H 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, 1155, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 75 LYS+ H 75 LYS+ QE 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 1168, 1169,
&end
#
# 74 ASN QB 75 LYS+ H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1155, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1145, 1146,
&end
#
# 75 LYS+ H 76 CYS- HB- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1182, 1181,
&end
#
# 73 GLU- HB+ 75 LYS+ H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1155, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 1130, 1131,
&end
#
# 73 GLU- HB- 75 LYS+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1130, 1131,
&end
#
# 75 LYS+ H 75 LYS+ QD 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 1165, 1166,
&end
#
# 75 LYS+ H 75 LYS+ HG+ 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 1162, 1163,
&end
#
# 75 LYS+ H 82 LEU QQD 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ H 82 LEU QQD 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 19 HIS HD2 20 ALA H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 318, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 75 LYS+ H 76 CYS- H 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, 1177, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 4 GLU- H 6 ARG+ H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, 70, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 2 PRO HA 4 GLU- H 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 23, 44, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 2 PRO HD- 4 GLU- H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 14, 15,
&end
#
# 4 GLU- H 4 GLU- QG 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 51, 52,
&end
#
# 2 PRO HG- 4 GLU- H 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 17, 18,
&end
#
# 13 CYS H 14 ILE H 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 208, 219, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 11 GLN HA 13 CYS H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, 208, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 65 CYS HB2 66 TYR H 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, 1012, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 13 CYS H 14 ILE HA 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 208, 221, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 10 ILE HA 13 CYS H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, 208, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 11 GLN QB 13 CYS H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 171, 172,
&end
#
# 12 ARG+ QB 13 CYS H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 188, 189,
&end
#
# 12 ARG+ HG+ 13 CYS H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 191, 192,
&end
#
# 12 ARG+ HG- 13 CYS H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 191, 192,
&end
#
# 13 CYS H 63 LEU QQD 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 10 ILE QG2 13 CYS H 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 154, 155, 156,
&end
#
# 14 ILE QD1 66 TYR H 6.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1012, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 232, 233, 234,
&end
#
# 8 LEU H 8 LEU QQD 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 11 GLN H 12 ARG+ H 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 33 CYSZ HA 37 LYS+ H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 559, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 36 MET HG+ 37 LYS+ H 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 549, 550,
&end
#
# 36 MET HG- 37 LYS+ H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 549, 550,
&end
#
# 36 MET HB2 37 LYS+ H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 546, 559, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 36 MET HB3 37 LYS+ H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 20 ALA QB 37 LYS+ H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 322, 323, 324,
&end
#
# 37 LYS+ H 37 LYS+ QD 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 569, 570,
&end
#
# 11 GLN QB 12 ARG+ H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 171, 172,
&end
#
# 12 ARG+ H 12 ARG+ QD 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 194, 195,
&end
#
# 12 ARG+ H 12 ARG+ HG+ 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 191, 192,
&end
#
# 12 ARG+ H 12 ARG+ HG- 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 191, 192,
&end
#
# 13 CYS HB2 14 ILE H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 212, 219, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 13 CYS HB3 14 ILE H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 14 ILE H 14 ILE HG1+ 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 229, 230,
&end
#
# 14 ILE H 14 ILE HG1- 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 229, 230,
&end
#
# 10 ILE QG2 14 ILE H 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 154, 155, 156,
&end
#
# 14 ILE H 36 MET QE 6.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 553, 554, 555,
&end
#
# 14 ILE H 63 LEU HG 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, 978, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 14 ILE H 14 ILE QD1 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 232, 233, 234,
&end
#
# 14 ILE H 63 LEU QQD 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 81 CYSZ HA 85 LYS+ H 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1313, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 82 LEU HA 85 LYS+ H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, 1313, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 85 LYS+ H 86 HIS QB 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 1339, 1340,
&end
#
# 83 ASN QB 85 LYS+ H 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 1284, 1285,
&end
#
# 84 ILE HB 85 LYS+ H 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, 1313, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 68 ALA QB 85 LYS+ H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 1054, 1055, 1056,
&end
#
# 84 ILE QG2 85 LYS+ H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 1300, 1301, 1302,
&end
#
# 85 LYS+ H 84 ILE QD1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1307, 1308, 1309,
&end
#
# 16 SER HA 18 VAL H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 285, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 15 GLN HA 18 VAL H 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 285, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 ILE HA 18 VAL H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 285, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 17 LEU HB+ 18 VAL H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 270, 271,
&end
#
# 17 LEU HB- 18 VAL H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 270, 271,
&end
#
# 17 LEU HG 18 VAL H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 ILE QG2 18 VAL H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 225, 226, 227,
&end
#
# 18 VAL H 18 VAL QG2 3.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 295, 296, 297,
&end
#
# 18 VAL H 78 VAL QG2 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 1211, 1212, 1213,
&end
#
# 15 GLN H 15 GLN HG+ 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 245, 246,
&end
#
# 15 GLN H 15 GLN HG- 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 245, 246,
&end
#
# 14 ILE HB 15 GLN H 2.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 14 ILE QG2 15 GLN H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 225, 226, 227,
&end
#
# 36 MET HA 40 VAL H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 621, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 39 VAL HB 40 VAL H 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 40 VAL H 39 VAL QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 615, 616, 617,
&end
#
# 40 VAL H 40 VAL QQG 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 86 HIS HA 88 LEU H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 84 ILE HA 88 LEU H 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1374, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 84 ILE QG2 88 LEU H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1374, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1300, 1301, 1302,
&end
#
# 64 CYS HB2 65 CYS H 3.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 994, 1001, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 64 CYS HB3 65 CYS H 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 995, 1001, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 85 LYS+ HA 88 LEU H 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1374, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 86 HIS QB 88 LEU H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1374, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1339, 1340,
&end
#
# 136 MET QE 88 LEU H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2081, 2082, 2083,
&end
#
# 88 LEU H 89 ARG+ HG- 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 1400, 1401,
&end
#
# 88 LEU H 88 LEU QQD 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU H 88 LEU QQD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 39 VAL HA 42 HIS H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 654, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 41 GLN HB- 42 HIS H 2.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr1= 641, 642,
&end
#
# 41 GLN HB- 113 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 641, 642,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 61 ILE H 61 ILE HG1+ 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 952, 953,
&end
#
# 61 ILE H 61 ILE HG1- 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 952, 953,
&end
#
# 61 ILE H 61 ILE QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 948, 949, 950,
&end
#
# 60 LEU QQD 61 ILE H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 932, 933, 934, 936, 937, 938,
&end
#
# 63 LEU QQD 64 CYS H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 61 ILE H 61 ILE QD1 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 955, 956, 957,
&end
#
# 41 GLN H 44 LYS+ QB 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 689, 690,
&end
#
# 38 ARG+ HA 41 GLN H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, 637, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 41 GLN H 44 LYS+ QE 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 698, 699,
&end
#
# 41 GLN H 41 GLN QG 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 644, 645,
&end
#
# 41 GLN H 44 LYS+ QD 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 695, 696,
&end
#
# 40 VAL QQG 41 GLN H 3.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 56 VAL HA 60 LEU H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860, 923, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 59 GLN QG 60 LEU H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 913, 914,
&end
#
# 60 LEU H 60 LEU HG 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 LEU H 60 LEU QQD 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 60 LEU H 60 LEU QQD 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 48 ARG+ QB 49 LYS+ H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 750, 751,
&end
#
# 48 ARG+ HG- 49 LYS+ H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 753, 754,
&end
#
# 49 LYS+ H 49 LYS+ HG- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 777, 778,
&end
#
# 66 TYR HB3 67 HIS H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1017, 1033, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 64 CYS HA 67 HIS H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1033, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 66 TYR HB2 67 HIS H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1016, 1033, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 14 ILE QD1 67 HIS H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1033, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 232, 233, 234,
&end
#
# 49 LYS+ H 49 LYS+ HG+ 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 777, 778,
&end
#
# 2 PRO HA 3 GLN H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 23, 27, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 2 PRO HA 5 SER QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 63, 64,
&end
#
# 3 GLN H 3 GLN QG 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 34, 35,
&end
#
# 2 PRO HG+ 3 GLN H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 17, 18,
&end
#
# 2 PRO HG- 3 GLN H 2.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1= 17, 18,
&end
#
# 16 SER H 19 HIS QB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 305, 306,
&end
#
# 15 GLN HG+ 16 SER H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 245, 246,
&end
#
# 15 GLN HG- 16 SER H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 245, 246,
&end
#
# 15 GLN HB2 16 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 242, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLN HB3 16 SER H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 243, 255, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 16 SER H 36 MET QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 553, 554, 555,
&end
#
# 33 CYSZ HA 36 MET H 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 542, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 32 SER HA 36 MET H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, 542, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 36 MET H 36 MET HG+ 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 549, 550,
&end
#
# 36 MET H 36 MET HG- 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 549, 550,
&end
#
# 35 LYS+ HB+ 36 MET H 2.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 524, 525,
&end
#
# 91 GLN H 91 GLN QG 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1434, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 1441, 1442,
&end
#
# 90 GLN HA 91 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1419, 1434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ARG+ QD 8 LEU H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 104, 105,
&end
#
# 8 LEU H 8 LEU HG 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, 125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ARG+ HB+ 25 ASN H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 370, 371,
&end
#
# 23 CYS- HA 25 ASN H 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, 390, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 23 CYS- HB+ 25 ASN H 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 361, 360,
&end
#
# 24 ARG+ HB- 25 ASN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 370, 371,
&end
#
# 4 GLU- HA 7 ARG+ H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ARG+ H 7 ARG+ QD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 104, 105,
&end
#
# 6 ARG+ HB- 7 ARG+ H 2.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr1= 74, 75,
&end
#
# 7 ARG+ H 7 ARG+ HG+ 3.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2= 101, 102,
&end
#
# 7 ARG+ H 7 ARG+ HG- 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 101, 102,
&end
#
# 7 ARG+ H 10 ILE QD1 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 161, 162, 163,
&end
#
# 4 GLU- QG 7 ARG+ H 6.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 51, 52,
&end
#
# 123 GLU- QG 7 ARG+ H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1884, 1885,
&end
#
# 89 ARG+ QD 90 GLN H 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1403, 1404,
&end
#
# 90 GLN H 90 GLN QG 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 1424, 1425,
&end
#
# 89 ARG+ HB- 90 GLN H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1397, 1398,
&end
#
# 89 ARG+ HG- 90 GLN H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1400, 1401,
&end
#
# 85 LYS+ HA 87 LYS+ H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1352, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 84 ILE HA 87 LYS+ H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1352, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 86 HIS QB 87 LYS+ H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1352, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 1339, 1340,
&end
#
# 84 ILE QG2 87 LYS+ H 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1352, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 1300, 1301, 1302,
&end
#
# 8 LEU HA 11 GLN H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, 167, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 11 GLN H 11 GLN HG+ 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 174, 175,
&end
#
# 10 ILE HB 11 GLN H 2.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 11 GLN H 14 ILE QD1 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 232, 233, 234,
&end
#
# 10 ILE QD1 11 GLN H 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 161, 162, 163,
&end
#
# 10 ILE QG2 11 GLN H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 154, 155, 156,
&end
#
# 36 MET HA 38 ARG+ H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS+ HA 38 ARG+ H 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, 581, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 38 ARG+ H 41 GLN QG 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 644, 645,
&end
#
# 38 ARG+ H 113 LEU QQD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1730, 1731, 1732, 1734, 1735, 1736,
&end
#
# 38 ARG+ H 38 ARG+ HB- 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 585, 586,
&end
#
# 85 LYS+ HA 89 ARG+ H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1393, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 89 ARG+ H 89 ARG+ QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1403, 1404,
&end
#
# 89 ARG+ H 90 GLN QG 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 1424, 1425,
&end
#
# 89 ARG+ H 89 ARG+ HG- 2.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr2= 1400, 1401,
&end
#
# 88 LEU HB3 89 ARG+ H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1379, 1393, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 LYS+ H 36 MET HA 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 544, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 32 SER HA 35 LYS+ H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, 520, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 33 CYSZ HA 35 LYS+ H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 520, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 33 CYSZ HB3 35 LYS+ H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 497, 520, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 35 LYS+ H 36 MET HG- 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 549, 550,
&end
#
# 35 LYS+ H 35 LYS+ HG+ 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 527, 528,
&end
#
# 35 LYS+ H 35 LYS+ HG- 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 527, 528,
&end
#
# 59 GLN HA 63 LEU H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, 971, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 61 ILE HA 63 LEU H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, 971, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 116 MET QE 63 LEU H 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 1784, 1785, 1786,
&end
#
# 61 ILE HB 63 LEU H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, 971, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 63 LEU H 63 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 55 PRO HA 58 LYS+ H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, 884, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 57 CYSZ HB3 58 LYS+ H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 878, 884, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 57 CYSZ HB2 58 LYS+ H 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 879, 884, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 58 LYS+ H 58 LYS+ HG+ 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 891, 892,
&end
#
# 58 LYS+ H 58 LYS+ QD 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 894, 895,
&end
#
# 58 LYS+ H 58 LYS+ HG- 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 891, 892,
&end
#
# 50 THR QG2 58 LYS+ H 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 798, 799, 800,
&end
#
# 84 ILE HA 86 HIS H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1335, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 83 ASN QB 86 HIS H 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 1284, 1285,
&end
#
# 80 PHE HA 83 ASN H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, 1280, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 82 LEU QQD 83 ASN H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HB2 83 ASN H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1265, 1280, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 82 LEU HB3 83 ASN H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1266, 1280, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 83 ASN H 84 ILE QD1 6.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 1307, 1308, 1309,
&end
#
# 8 LEU HB2 9 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 VAL QG1 19 HIS H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 291, 292, 293,
&end
#
# 8 LEU HB3 9 SER H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 123, 137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 CYSZ HB3 34 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 497, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HB3 34 GLN H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, 503, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 86 HIS HA 89 ARG+ H 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1393, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 36 MET H 37 LYS+ H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, 559, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 SER H 18 VAL H 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, 285, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 13 CYS H 15 GLN H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 208, 238, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 15 GLN H 17 LEU H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, 266, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 6 ARG+ H 7 ARG+ H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, 94, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 LEU H 90 GLN H 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1417, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ILE H 11 GLN H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, 167, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 42 HIS H 43 THR H 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 671, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 42 HIS H 44 LYS+ H 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 685, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 87 LYS+ H 88 LEU H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, 1374, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 85 LYS+ H 87 LYS+ H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, 1352, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 65 CYS H 66 TYR H 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, 1012, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 ILE H 85 LYS+ H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, 1313, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 83 ASN H 85 LYS+ H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, 1313, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 CYSZ H 35 LYS+ H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 35 LYS+ H 37 LYS+ H 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 559, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 62 ALA H 63 LEU H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 66 TYR H 67 HIS H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, 1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS+ H 36 MET H 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 36 MET H 38 ARG+ H 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 86 HIS H 86 HIS HD2 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1348, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 86 HIS H 88 LEU H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1374, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 84 ILE H 86 HIS H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, 1335, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 85 LYS+ H 86 HIS H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, 1335, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 18 VAL H 19 HIS H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, 301, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 32 SER H 34 GLN H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 482, 503, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 38 ARG+ H 41 GLN H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 637, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 41 GLN H 44 LYS+ H 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, 685, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 41 GLN H 43 THR H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, 671, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 83 ASN H 84 ILE H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, 1294, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 4 GLU- H 5 SER H 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, 59, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 82 LEU H 84 ILE H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1294, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 82 LEU H 85 LYS+ H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1313, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 82 LEU H 83 ASN H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1280, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 81 CYSZ H 82 LEU H 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1261, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 42 HIS HD2 43 THR H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 671, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 ASN H 28 CYS- H 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 27 ASN H 27 ASN HD2+ 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 423, 424,
&end
#
# 26 ALA H 27 ASN H 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 27 ASN H 27 ASN HD2- 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 423, 424,
&end
#
# 26 ALA HA 27 ASN H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 25 ASN HB+ 27 ASN H 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 394, 395,
&end
#
# 27 ASN H 28 CYS- QB 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 433, 432,
&end
#
# 26 ALA QB 27 ASN H 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 408, 409, 410,
&end
#
# 42 HIS HB3 43 THR H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 39 VAL HA 43 THR H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 671, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 VAL HA 43 THR H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 671, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 42 HIS HB2 43 THR H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 658, 671, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 43 THR H 44 LYS+ QB 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 689, 690,
&end
#
# 43 THR H 43 THR QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 677, 678, 679,
&end
#
# 43 THR H 60 LEU QQD 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 39 VAL QG1 43 THR H 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 611, 612, 613,
&end
#
# 43 THR H 60 LEU QQD 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR H 56 VAL QG1 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 864, 865, 866,
&end
#
# 80 PHE HA 82 LEU H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, 1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 81 CYSZ HB3 82 LEU H 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1255, 1261, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 81 CYSZ HB2 82 LEU H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1256, 1261, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 78 VAL HB 82 LEU H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1261, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 82 LEU H 82 LEU QQD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 78 VAL QG1 82 LEU H 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 1207, 1208, 1209,
&end
#
# 52 GLY H 53 GLY H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 53 GLY H 54 CYS- H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 SER H 33 CYSZ H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 482, 493, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 19 HIS HD2 33 CYSZ H 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 493, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 45 GLY H 46 CYS- H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 44 LYS+ H 45 GLY H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, 707, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 43 THR H 45 GLY H 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 707, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 CYS- H 24 ARG+ H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ALA H 23 CYS- H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 356, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 21 CYS H 23 CYS- H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, 356, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 75 LYS+ HA 76 CYS- H 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, 1177, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 22 GLN HA 23 CYS- H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ALA HA 23 CYS- H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 356, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 76 CYS- H 77 PRO HD+ 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 1188, 1189,
&end
#
# 76 CYS- H 77 PRO HD- 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 1188, 1189,
&end
#
# 22 GLN HB2 23 CYS- H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 343, 356, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 73 GLU- HB- 76 CYS- H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 1130, 1131,
&end
#
# 75 LYS+ HB- 76 CYS- H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1159, 1160,
&end
#
# 76 CYS- H 82 LEU QQD 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 69 LYS+ H 71 CYS- H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, 1099, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 69 LYS+ HA 71 CYS- H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, 1099, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 70 HIS HB+ 71 CYS- H 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 1086, 1087,
&end
#
# 85 LYS+ QE 71 CYS- H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1326, 1327,
&end
#
# 70 HIS HB- 71 CYS- H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 1086, 1087,
&end
#
# 69 LYS+ HB- 71 CYS- H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 1064, 1065,
&end
#
# 46 CYS- H 47 LYS+ H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, 724, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 CYS- H 48 ARG+ H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR H 46 CYS- H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 714, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 43 THR HG1 46 CYS- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 681, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 HIS HA 46 CYS- H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 714, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 43 THR HA 46 CYS- H 3.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, 714, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 46 CYS- H 49 LYS+ QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 783, 784,
&end
#
# 43 THR QG2 46 CYS- H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 677, 678, 679,
&end
#
# 46 CYS- H 49 LYS+ QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 78 VAL H 81 CYSZ H 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, 1251, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 81 CYSZ H 83 ASN H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1280, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 80 PHE QD 81 CYSZ H 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 1239, 1247,
&end
#
# 67 HIS HD2 81 CYSZ H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1251, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 61 ILE H 62 ALA H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, 961, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 25 ASN HD2+ 28 CYS- H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 399, 400,
&end
#
# 28 CYS- H 30 LEU H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 CYS- H 29 SER H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ALA H 28 CYS- H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404, 428, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 56 VAL H 57 CYSZ H 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 874, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 56 VAL H 58 LYS+ H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 884, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 25 ASN H 26 ALA H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, 404, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 25 ASN H 28 CYS- H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, 428, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 25 ASN H 25 ASN HD2- 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 399, 400,
&end
#
# 43 THR H 44 LYS+ H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 685, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 LYS+ H 46 CYS- H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, 714, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 38 ARG+ H 39 VAL H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 605, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 37 LYS+ H 38 ARG+ H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, 581, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 88 LEU H 89 ARG+ H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1393, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ALA H 22 GLN H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 69 LYS+ H 70 HIS H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, 1082, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 74 ASN H 74 ASN HD2+ 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 1150, 1151,
&end
#
# 21 CYS H 22 GLN HE2- 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 351, 352,
&end
#
# 74 ASN H 74 ASN HD2- 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1150, 1151,
&end
#
# 21 CYS H 22 GLN HE2+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 351, 352,
&end
#
# 25 ASN HD2- 29 SER H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 399, 400,
&end
#
# 11 GLN H 11 GLN HE2+ 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 179, 180,
&end
#
# 25 ASN HD2+ 29 SER H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 399, 400,
&end
#
# 68 ALA QB 69 LYS+ H 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1060, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 1054, 1055, 1056,
&end
#
# 26 ALA QB 27 ASN HD2+ 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 408, 409, 410,
igr2= 423, 424,
&end
#
# 26 ALA HA 27 ASN HD2- 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 423, 424,
&end
#
# 26 ALA QB 27 ASN HD2- 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 408, 409, 410,
igr2= 423, 424,
&end
#
# 74 ASN HA 74 ASN HD2+ 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 1150, 1151,
&end
#
# 19 HIS HA 22 GLN HE2+ 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 351, 352,
&end
#
# 22 GLN HB2 22 GLN HE2+ 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 351, 352,
&end
#
# 22 GLN HA 22 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 351, 352,
&end
#
# 22 GLN HG- 22 GLN HE2- 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 346, 347,
igr2= 351, 352,
&end
#
# 22 GLN HB2 22 GLN HE2- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 351, 352,
&end
#
# 19 HIS HA 22 GLN HE2- 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 351, 352,
&end
#
# 22 GLN HB3 22 GLN HE2- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 351, 352,
&end
#
# 67 HIS HA 70 HIS H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1082, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 70 HIS H 71 CYS- HB- 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 1104, 1103,
&end
#
# 69 LYS+ HB+ 70 HIS H 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 1064, 1065,
&end
#
# 69 LYS+ HB- 70 HIS H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 1064, 1065,
&end
#
# 72 GLN HB2 72 GLN HE2+ 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1113, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 1121, 1122,
&end
#
# 72 GLN HB2 72 GLN HE2- 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1113, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 1121, 1122,
&end
#
# 51 ASN HA 51 ASN HD2+ 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 815, 816,
&end
#
# 91 GLN HB- 91 GLN HE2+ 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 51 ASN HA 51 ASN HD2- 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 815, 816,
&end
#
# 91 GLN HB- 91 GLN HE2- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 83 ASN HA 83 ASN HD2+ 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 1289, 1290,
&end
#
# 80 PHE HA 83 ASN HD2+ 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 1289, 1290,
&end
#
# 41 GLN HA 41 GLN HE2+ 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 649, 650,
&end
#
# 83 ASN HA 83 ASN HD2- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1289, 1290,
&end
#
# 90 GLN HA 90 GLN HE2- 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1419, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 1429, 1430,
&end
#
# 90 GLN HB+ 90 GLN HE2- 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 1421, 1422,
igr2= 1429, 1430,
&end
#
# 41 GLN HB+ 41 GLN HE2+ 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 641, 642,
igr2= 649, 650,
&end
#
# 41 GLN HA 41 GLN HE2- 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 649, 650,
&end
#
# 17 LEU HG 21 CYS H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 328, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 18 VAL QG1 21 CYS H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 291, 292, 293,
&end
#
# 17 LEU QQD 21 CYS H 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 18 VAL HA 21 CYS H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ALA QB 21 CYS H 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 322, 323, 324,
&end
#
# 21 CYS H 78 VAL QG2 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 1211, 1212, 1213,
&end
#
# 29 SER HA 34 GLN HE2+ 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 515, 516,
&end
#
# 29 SER HA 34 GLN HE2- 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 515, 516,
&end
#
# 41 GLN HB+ 41 GLN HE2- 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 641, 642,
igr2= 649, 650,
&end
#
# 25 ASN HD2+ 28 CYS- HA 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 399, 400,
&end
#
# 15 GLN HA 15 GLN HE2+ 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 250, 251,
&end
#
# 15 GLN HB3 15 GLN HE2+ 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 250, 251,
&end
#
# 25 ASN HD2- 28 CYS- HA 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 399, 400,
&end
#
# 25 ASN HB- 25 ASN HD2- 3.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1= 394, 395,
igr2= 399, 400,
&end
#
# 15 GLN HB2 15 GLN HE2- 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 250, 251,
&end
#
# 11 GLN HA 11 GLN HE2+ 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 179, 180,
&end
#
# 11 GLN QB 11 GLN HE2+ 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 171, 172,
igr2= 179, 180,
&end
#
# 10 ILE QG2 11 GLN HE2+ 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 154, 155, 156,
igr2= 179, 180,
&end
#
# 11 GLN HA 11 GLN HE2- 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 179, 180,
&end
#
# 11 GLN QB 11 GLN HE2- 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 171, 172,
igr2= 179, 180,
&end
#
# 43 THR HG1 44 LYS+ H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 HIS HA 44 LYS+ H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 685, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 THR HB 44 LYS+ H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, 685, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 GLN HA 44 LYS+ H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, 685, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 44 LYS+ H 44 LYS+ QE 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 698, 699,
&end
#
# 43 THR QG2 44 LYS+ H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 677, 678, 679,
&end
#
# 44 LYS+ H 44 LYS+ HG+ 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 692, 693,
&end
#
# 44 LYS+ H 44 LYS+ HG- 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 692, 693,
&end
#
# 40 VAL QQG 44 LYS+ H 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL QQG 44 LYS+ H 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 55 PRO QD 56 VAL H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 845, 846,
&end
#
# 54 CYS- HB+ 56 VAL H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 839, 838,
&end
#
# 54 CYS- HB- 56 VAL H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 839, 838,
&end
#
# 56 VAL H 57 CYSZ HB2 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 879, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 55 PRO HG- 56 VAL H 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 848, 849,
&end
#
# 55 PRO HB- 56 VAL H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 851, 852,
&end
#
# 114 LEU QQD 56 VAL H 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 1749, 1750, 1751, 1753, 1754, 1755,
&end
#
# 56 VAL H 56 VAL QG2 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 868, 869, 870,
&end
#
# 27 ASN HB2 28 CYS- H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ALA QB 28 CYS- H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 408, 409, 410,
&end
#
# 80 PHE HB+ 81 CYSZ H 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 1235, 1236,
&end
#
# 80 PHE HB- 81 CYSZ H 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 1235, 1236,
&end
#
# 78 VAL HB 81 CYSZ H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1251, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 68 ALA QB 81 CYSZ H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1054, 1055, 1056,
&end
#
# 81 CYSZ H 82 LEU QQD 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 78 VAL QG1 81 CYSZ H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 1207, 1208, 1209,
&end
#
# 78 VAL QG2 81 CYSZ H 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 1211, 1212, 1213,
&end
#
# 59 GLN HA 62 ALA H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, 961, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 116 MET QE 62 ALA H 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 1784, 1785, 1786,
&end
#
# 61 ILE HB 62 ALA H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, 961, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 61 ILE QG2 62 ALA H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 948, 949, 950,
&end
#
# 42 HIS HA 45 GLY H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 707, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 43 THR HA 45 GLY H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, 707, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 45 GLY H 46 CYS- HB+ 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 719, 718,
&end
#
# 45 GLY H 46 CYS- HB- 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 719, 718,
&end
#
# 44 LYS+ QB 45 GLY H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 689, 690,
&end
#
# 43 THR QG2 45 GLY H 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 677, 678, 679,
&end
#
# 44 LYS+ HG- 45 GLY H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 692, 693,
&end
#
# 30 LEU HA 33 CYSZ H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, 493, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 33 CYSZ H 36 MET HG- 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 549, 550,
&end
#
# 30 LEU HB2 33 CYSZ H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 453, 493, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 30 LEU HB3 33 CYSZ H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 LEU QQD 33 CYSZ H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 51 ASN HA 53 GLY H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 808, 827, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 49 LYS+ HA 53 GLY H 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, 827, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 53 GLY H 54 CYS- HB+ 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 839, 838,
&end
#
# 53 GLY H 54 CYS- HB- 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 839, 838,
&end
#
# 48 ARG+ QB 53 GLY H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 750, 751,
&end
#
# 50 THR QG2 53 GLY H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 798, 799, 800,
&end
#
# 25 ASN HB- 28 CYS- H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 394, 395,
&end
#
# 57 CYSZ HA 59 GLN H 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, 906, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 56 VAL HA 59 GLN H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860, 906, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 58 LYS+ QB 59 GLN H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 888, 889,
&end
#
# 50 THR QG2 59 GLN H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 798, 799, 800,
&end
#
# 59 GLN H 60 LEU QQD 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 56 VAL QG1 59 GLN H 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 864, 865, 866,
&end
#
# 18 VAL QG1 22 GLN H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 291, 292, 293,
&end
#
# 20 ALA HA 22 GLN H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 339, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 22 GLN H 23 CYS- HA 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, 358, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 CYS HB2 22 GLN H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 22 GLN H 22 GLN HG+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 346, 347,
&end
#
# 21 CYS HB3 22 GLN H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, 339, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 101 GLU- H 101 GLU- QG 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1534, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 1541, 1542,
&end
#
# 101 GLU- QB 102 VAL H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1549, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 1538, 1539,
&end
#
# 101 GLU- QG 102 VAL H 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1549, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 1541, 1542,
&end
#
# 102 VAL H 102 VAL QQG 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1549, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 102 VAL QQG 103 HIS H 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 1555, 1556, 1557, 1559, 1560, 1561,
&end
#
# 103 HIS HA 104 PRO QD 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1567, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 1583, 1584,
&end
#
# 103 HIS QB 104 PRO QD 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 1569, 1570,
igr2= 1583, 1584,
&end
#
# 106 ARG+ H 107 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 106 ARG+ QB 107 LEU H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1631, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 1611, 1612,
&end
#
# 106 ARG+ QB 107 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 1611, 1612,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU H 107 LEU QQD 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1631, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU HA 107 LEU QQD 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1633, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU QB 108 GLN H 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1650, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 1635, 1636,
&end
#
# 107 LEU QB 108 GLN HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1652, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1635, 1636,
&end
#
# 107 LEU QB 108 GLN QE2 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 1635, 1636,
igr2= 1662, 1663,
&end
#
# 107 LEU HG 108 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1662, 1663,
&end
#
# 107 LEU QQD 108 GLN H 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1650, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 1640, 1641, 1642, 1644, 1645, 1646,
&end
#
# 107 LEU QQD 108 GLN QE2 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 1640, 1641, 1642, 1644, 1645, 1646,
igr2= 1662, 1663,
&end
#
# 108 GLN QB 108 GLN QE2 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1654, 1655,
igr2= 1662, 1663,
&end
#
# 108 GLN QB 109 THR H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1667, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 1654, 1655,
&end
#
# 108 GLN QG 108 GLN QE2 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 1657, 1658,
igr2= 1662, 1663,
&end
#
# 110 THR QG2 113 LEU QB 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 1687, 1688, 1689,
igr2= 1725, 1726,
&end
#
# 112 ASN H 112 ASN QD2 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1707, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 1716, 1717,
&end
#
# 112 ASN HA 112 ASN QD2 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1709, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 1716, 1717,
&end
#
# 112 ASN QD2 114 LEU H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1740, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1716, 1717,
&end
#
# 112 ASN QD2 114 LEU HG 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1747, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 1716, 1717,
&end
#
# 114 LEU HG 56 VAL QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1747, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 868, 869, 870,
&end
#
# 114 LEU HG 56 VAL QG1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 864, 865, 866,
&end
#
# 113 LEU QB 39 VAL QG1 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1725, 1726,
igr2= 611, 612, 613,
&end
#
# 113 LEU QB 39 VAL QG2 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 1725, 1726,
igr2= 615, 616, 617,
&end
#
# 113 LEU QQD 38 ARG+ QD 6.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 591, 592,
&end
#
# 113 LEU QQD 42 HIS QB 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 1730, 1731, 1732, 1734, 1735, 1736,
igr2= 658, 659,
&end
#
# 114 LEU H 115 PRO QD 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1740, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 1760, 1761,
&end
#
# 114 LEU QB 116 MET H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 1744, 1745,
&end
#
# 115 PRO HA 35 LYS+ QD 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1769, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 530, 531,
&end
#
# 115 PRO QB 39 VAL QG1 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 1766, 1767,
igr2= 611, 612, 613,
&end
#
# 115 PRO QB 39 VAL QG2 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1766, 1767,
igr2= 615, 616, 617,
&end
#
# 115 PRO QB 36 MET QE 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 1766, 1767,
igr2= 553, 554, 555,
&end
#
# 115 PRO QD 116 MET H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1773, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 1760, 1761,
&end
#
# 115 PRO QD 39 VAL QG2 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 1760, 1761,
igr2= 615, 616, 617,
&end
#
# 115 PRO QD 56 VAL QG1 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 1760, 1761,
igr2= 864, 865, 866,
&end
#
# 115 PRO QD 59 GLN HB+ 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1760, 1761,
igr2= 910, 911,
&end
#
# 116 MET QB 116 MET QE 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1777, 1778,
igr2= 1784, 1785, 1786,
&end
#
# 116 MET QB 59 GLN HE2- 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1777, 1778,
igr2= 918, 919,
&end
#
# 116 MET QB 59 GLN HE2+ 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1777, 1778,
igr2= 918, 919,
&end
#
# 117 SER QB 118 PRO HD- 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 1794, 1795,
igr2= 1802, 1803,
&end
#
# 117 SER QB 118 PRO HD+ 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1794, 1795,
igr2= 1802, 1803,
&end
#
# 117 SER QB 120 GLU- H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1830, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1794, 1795,
&end
#
# 119 GLU- H 119 GLU- QG 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1815, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 1822, 1823,
&end
#
# 119 GLU- HB- 6 ARG+ QD 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 1819, 1820,
igr2= 80, 81,
&end
#
# 119 GLU- HB+ 6 ARG+ QD 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 1819, 1820,
igr2= 80, 81,
&end
#
# 119 GLU- QG 6 ARG+ QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1822, 1823,
igr2= 80, 81,
&end
#
# 120 GLU- H 120 GLU- QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1837, 1838,
&end
#
# 120 GLU- H 6 ARG+ QD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 80, 81,
&end
#
# 120 GLU- H 10 ILE QG1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1830, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 158, 159,
&end
#
# 120 GLU- QG 9 SER HB+ 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1837, 1838,
igr2= 141, 142,
&end
#
# 120 GLU- QG 6 ARG+ HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1837, 1838,
&end
#
# 123 GLU- HA 126 ARG+ QG 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1879, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 1926, 1927,
&end
#
# 126 ARG+ QG 127 ILE H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1943, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1926, 1927,
&end
#
# 134 ASP- QB 135 SER H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 2051, 2052,
&end
#
# 134 ASP- QB 58 LYS+ QE 6.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 2051, 2052,
igr2= 897, 898,
&end
#
# 134 ASP- QB 58 LYS+ QD 6.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 2051, 2052,
igr2= 894, 895,
&end
#
# 134 ASP- QB 50 THR QG2 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 2051, 2052,
igr2= 798, 799, 800,
&end
#
# 134 ASP- HA 50 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2049, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 798, 799, 800,
&end
#
# 136 MET H 136 MET QG 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2070, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 2077, 2078,
&end
#
# 80 PHE QB 61 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 1235, 1236,
igr2= 955, 956, 957,
&end
#
# 136 MET QG 61 ILE QD1 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 2077, 2078,
igr2= 955, 956, 957,
&end
#
# 136 MET QG 61 ILE QG2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2077, 2078,
igr2= 948, 949, 950,
&end
#
# 136 MET QG 84 ILE QD1 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2077, 2078,
igr2= 1307, 1308, 1309,
&end
#
# 136 MET QG 84 ILE QG2 7.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 2077, 2078,
igr2= 1300, 1301, 1302,
&end
#
# 136 MET QG 84 ILE HB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2077, 2078,
&end
#
# 136 MET QG 80 PHE QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2077, 2078,
igr2= 1241, 1245,
&end
#
# 137 MET QB 138 ASN H 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2104, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 2091, 2092,
&end
#
# 137 MET QE 58 LYS+ QG 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 2098, 2099, 2100,
igr2= 891, 892,
&end
#
# 1 SER QB 2 PRO HD- 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 6, 7,
igr2= 14, 15,
&end
#
# 1 SER QB 4 GLU- H 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 6, 7,
&end
#
# 1 SER QB 4 GLU- HB- 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 6, 7,
igr2= 48, 49,
&end
#
# 1 SER QB 4 GLU- HB+ 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 6, 7,
igr2= 48, 49,
&end
#
# 1 SER QB 5 SER H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 6, 7,
&end
#
# 1 SER QB 8 LEU QQD 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 6, 7,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 2 PRO QB 3 GLN H 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 20, 21,
&end
#
# 3 GLN H 3 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 39, 40,
&end
#
# 3 GLN HA 3 GLN QE2 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 39, 40,
&end
#
# 3 GLN QB 3 GLN QE2 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 31, 32,
igr2= 39, 40,
&end
#
# 3 GLN QB 7 ARG+ QD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 31, 32,
igr2= 104, 105,
&end
#
# 5 SER H 6 ARG+ QG 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 77, 78,
&end
#
# 6 ARG+ H 6 ARG+ QG 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 77, 78,
&end
#
# 6 ARG+ H 6 ARG+ QD 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 80, 81,
&end
#
# 6 ARG+ HA 6 ARG+ QD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 80, 81,
&end
#
# 6 ARG+ QG 7 ARG+ H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 77, 78,
&end
#
# 9 SER HB+ 10 ILE QG1 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 141, 142,
igr2= 158, 159,
&end
#
# 10 ILE H 10 ILE QG1 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 158, 159,
&end
#
# 10 ILE HA 13 CYS QB 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 212, 213,
&end
#
# 10 ILE QG2 13 CYS QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 154, 155, 156,
igr2= 212, 213,
&end
#
# 12 ARG+ H 12 ARG+ QG 3.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 191, 192,
&end
#
# 12 ARG+ QG 13 CYS H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 191, 192,
&end
#
# 13 CYS QB 14 ILE H 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 212, 213,
&end
#
# 13 CYS QB 14 ILE HG1+ 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 212, 213,
igr2= 229, 230,
&end
#
# 13 CYS QB 14 ILE QD1 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 212, 213,
igr2= 232, 233, 234,
&end
#
# 13 CYS QB 17 LEU QQD 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 212, 213,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 13 CYS QB 36 MET QE 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 212, 213,
igr2= 553, 554, 555,
&end
#
# 13 CYS QB 63 LEU HG 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 212, 213,
&end
#
# 13 CYS QB 63 LEU QQD 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 212, 213,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE HA 17 LEU QB 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 270, 271,
&end
#
# 14 ILE QG2 15 GLN QG 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 225, 226, 227,
igr2= 245, 246,
&end
#
# 14 ILE QG2 17 LEU QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 225, 226, 227,
igr2= 270, 271,
&end
#
# 15 GLN H 15 GLN QG 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 245, 246,
&end
#
# 15 GLN QG 16 SER H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 245, 246,
&end
#
# 16 SER H 17 LEU QB 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 270, 271,
&end
#
# 16 SER HB2 17 LEU QB 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 270, 271,
&end
#
# 17 LEU QB 18 VAL H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 270, 271,
&end
#
# 17 LEU QB 36 MET QE 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 270, 271,
igr2= 553, 554, 555,
&end
#
# 17 LEU QB 63 LEU QQD 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 270, 271,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 17 LEU QQD 60 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 927, 928,
&end
#
# 20 ALA HA 37 LYS+ QE 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 572, 573,
&end
#
# 20 ALA QB 37 LYS+ QG 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 322, 323, 324,
igr2= 566, 567,
&end
#
# 20 ALA QB 37 LYS+ QE 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 322, 323, 324,
igr2= 572, 573,
&end
#
# 9 SER HA 12 ARG+ QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 188, 189,
&end
#
# 22 GLN HG- 77 PRO QG 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 346, 347,
igr2= 1191, 1192,
&end
#
# 22 GLN HG- 77 PRO QD 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 346, 347,
igr2= 1188, 1189,
&end
#
# 22 GLN HE2- 77 PRO QG 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 351, 352,
igr2= 1191, 1192,
&end
#
# 22 GLN HE2+ 77 PRO QG 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 351, 352,
igr2= 1191, 1192,
&end
#
# 23 CYS- H 37 LYS+ QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 566, 567,
&end
#
# 23 CYS- H 37 LYS+ QE 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 572, 573,
&end
#
# 23 CYS- HA 37 LYS+ QE 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 572, 573,
&end
#
# 23 CYS- HB- 37 LYS+ QE 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 361, 360,
igr2= 572, 573,
&end
#
# 24 ARG+ H 24 ARG+ QG 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 373, 374,
&end
#
# 32 SER HA 35 LYS+ QD 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 530, 531,
&end
#
# 32 SER QB 35 LYS+ QD 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 486, 487,
igr2= 530, 531,
&end
#
# 32 SER QB 36 MET HG- 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 486, 487,
igr2= 549, 550,
&end
#
# 35 LYS+ QG 36 MET H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 527, 528,
&end
#
# 37 LYS+ H 37 LYS+ QG 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 566, 567,
&end
#
# 37 LYS+ H 37 LYS+ QE 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 572, 573,
&end
#
# 38 ARG+ HA 38 ARG+ QD 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 591, 592,
&end
#
# 39 VAL HA 42 HIS QB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 658, 659,
&end
#
# 39 VAL QG2 42 HIS QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 615, 616, 617,
igr2= 658, 659,
&end
#
# 41 GLN HA 41 GLN QE2 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 649, 650,
&end
#
# 41 GLN HB+ 41 GLN QE2 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 641, 642,
igr2= 649, 650,
&end
#
# 42 HIS QB 43 THR H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 658, 659,
&end
#
# 42 HIS QB 44 LYS+ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 658, 659,
&end
#
# 42 HIS QB 56 VAL QG1 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 658, 659,
igr2= 864, 865, 866,
&end
#
# 42 HIS HD2 46 CYS- QB 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 719, 718,
&end
#
# 43 THR H 46 CYS- QB 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 719, 718,
&end
#
# 43 THR HA 46 CYS- QB 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 719, 718,
&end
#
# 43 THR HB 46 CYS- QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 719, 718,
&end
#
# 43 THR HB 60 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 927, 928,
&end
#
# 43 THR QG2 46 CYS- QB 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 677, 678, 679,
igr2= 719, 718,
&end
#
# 43 THR QG2 60 LEU QB 6.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 677, 678, 679,
igr2= 927, 928,
&end
#
# 44 LYS+ H 45 GLY QA 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 709, 710,
&end
#
# 44 LYS+ H 46 CYS- QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 719, 718,
&end
#
# 45 GLY H 46 CYS- QB 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 719, 718,
&end
#
# 46 CYS- HA 47 LYS+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 716, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 CYS- QB 47 LYS+ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 719, 718,
&end
#
# 47 LYS+ H 47 LYS+ QG 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 731, 732,
&end
#
# 47 LYS+ QB 48 ARG+ H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 728, 729,
&end
#
# 48 ARG+ H 48 ARG+ QD 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 756, 757,
&end
#
# 48 ARG+ HA 48 ARG+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 756, 757,
&end
#
# 48 ARG+ HA 52 GLY QA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 822, 823,
&end
#
# 49 LYS+ H 49 LYS+ QG 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 777, 778,
&end
#
# 49 LYS+ H 49 LYS+ QD 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 780, 781,
&end
#
# 49 LYS+ QB 53 GLY H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 774, 775,
&end
#
# 50 THR HA 58 LYS+ QE 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 897, 898,
&end
#
# 50 THR HB 58 LYS+ QG 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 891, 892,
&end
#
# 51 ASN H 51 ASN QD2 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 815, 816,
&end
#
# 51 ASN HA 51 ASN QD2 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 815, 816,
&end
#
# 134 ASP- QB 51 ASN QD2 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2051, 2052,
igr2= 815, 816,
&end
#
# 57 CYSZ HA 60 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 927, 928,
&end
#
# 57 CYSZ HA 61 ILE QG1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 952, 953,
&end
#
# 58 LYS+ HA 61 ILE QG1 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 952, 953,
&end
#
# 58 LYS+ QG 59 GLN H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 891, 892,
&end
#
# 60 LEU HA 63 LEU QB 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 975, 976,
&end
#
# 60 LEU QB 61 ILE H 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 927, 928,
&end
#
# 60 LEU QB 61 ILE QD1 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 927, 928,
igr2= 955, 956, 957,
&end
#
# 61 ILE H 61 ILE QG1 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 952, 953,
&end
#
# 63 LEU QB 64 CYS H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 975, 976,
&end
#
# 68 ALA QB 69 LYS+ QG 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 1054, 1055, 1056,
igr2= 1067, 1068,
&end
#
# 69 LYS+ H 69 LYS+ QG 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1067, 1068,
&end
#
# 69 LYS+ QG 70 HIS H 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 1067, 1068,
&end
#
# 72 GLN HA 72 GLN QE2 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1111, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 1121, 1122,
&end
#
# 73 GLU- H 73 GLU- QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1133, 1134,
&end
#
# 73 GLU- QG 74 ASN H 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1141, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 1133, 1134,
&end
#
# 73 GLU- QG 75 LYS+ H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1155, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 1133, 1134,
&end
#
# 73 GLU- QG 76 CYS- H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 1133, 1134,
&end
#
# 73 GLU- QG 76 CYS- HB- 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- QG 76 CYS- HB+ 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- QG 82 LEU QQD 6.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 1133, 1134,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 76 CYS- H 77 PRO QD 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 1188, 1189,
&end
#
# 76 CYS- HA 77 PRO QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1191, 1192,
&end
#
# 76 CYS- HA 73 GLU- HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1130, 1131,
&end
#
# 76 CYS- HA 77 PRO QD 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 1188, 1189,
&end
#
# 77 PRO QG 78 VAL H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 1191, 1192,
&end
#
# 77 PRO QG 78 VAL QG2 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1191, 1192,
igr2= 1211, 1212, 1213,
&end
#
# 77 PRO QD 78 VAL H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1188, 1189,
&end
#
# 80 PHE QB 81 CYSZ H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1235, 1236,
&end
#
# 80 PHE QB 82 LEU H 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 1235, 1236,
&end
#
# 80 PHE QB 84 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1235, 1236,
igr2= 1307, 1308, 1309,
&end
#
# 82 LEU QB 82 LEU QQD 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 1265, 1266,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU QB 83 ASN H 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 1265, 1266,
&end
#
# 82 LEU QB 86 HIS QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1265, 1266,
igr2= 1339, 1340,
&end
#
# 82 LEU QB 86 HIS HD2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1348, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1265, 1266,
&end
#
# 84 ILE H 84 ILE QG1 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1304, 1305,
&end
#
# 85 LYS+ H 85 LYS+ QG 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1320, 1321,
&end
#
# 85 LYS+ QG 86 HIS H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 1320, 1321,
&end
#
# 85 LYS+ QB 86 HIS H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1317, 1318,
&end
#
# 91 GLN HA 91 GLN QE2 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 1446, 1447,
&end
#
# 91 GLN HB- 91 GLN QE2 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 91 GLN HB+ 91 GLN QE2 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 92 GLN HA 92 GLN QE2 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1453, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 1463, 1464,
&end
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