data_15470_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15470
_Entry.PDB_ID 2KDU
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1575 . 1 2 2 B 2 2 SER H H 458 8.193 8.784 -0.591 1
1 1577 . 1 2 2 B 2 2 SER C C 458 172.550 175.270 -2.720 1
1 1578 . 1 2 2 B 2 2 SER CA C 458 55.709 59.343 -3.634 1
1 1579 . 1 2 2 B 2 2 SER CB C 458 61.137 62.887 -1.750 1
1 1580 . 1 2 2 B 2 2 SER N N 458 120.637 117.828 2.809 1
1 1581 . 1 2 2 B 3 3 ARG H H 459 8.654 8.121 0.533 1
1 1582 . 1 2 2 B 3 3 ARG HA H 459 3.838 4.090 -0.252 1
1 1584 . 1 2 2 B 3 3 ARG C C 459 174.192 178.389 -4.197 1
1 1585 . 1 2 2 B 3 3 ARG CA C 459 55.993 58.817 -2.824 1
1 1586 . 1 2 2 B 3 3 ARG CB C 459 27.411 30.011 -2.600 1
1 1588 . 1 2 2 B 3 3 ARG N N 459 125.365 120.414 4.951 1
1 1589 . 1 2 2 B 4 4 ALA H H 460 8.193 8.034 0.159 1
1 1590 . 1 2 2 B 4 4 ALA HA H 460 4.164 4.026 0.138 1
1 1594 . 1 2 2 B 4 4 ALA C C 460 176.557 179.450 -2.893 1
1 1595 . 1 2 2 B 4 4 ALA CA C 460 52.358 55.060 -2.702 1
1 1596 . 1 2 2 B 4 4 ALA CB C 460 15.958 18.338 -2.380 1
1 1597 . 1 2 2 B 4 4 ALA N N 460 120.862 121.900 -1.038 1
1 1598 . 1 2 2 B 5 5 LYS H H 461 7.900 8.248 -0.348 1
1 1599 . 1 2 2 B 5 5 LYS HA H 461 4.185 4.060 0.125 1
1 1602 . 1 2 2 B 5 5 LYS C C 461 175.175 179.248 -4.073 1
1 1603 . 1 2 2 B 5 5 LYS CA C 461 56.959 59.562 -2.603 1
1 1604 . 1 2 2 B 5 5 LYS CB C 461 28.819 32.296 -3.477 1
1 1606 . 1 2 2 B 5 5 LYS N N 461 118.064 117.442 0.622 1
1 1607 . 1 2 2 B 6 6 ALA H H 462 7.778 8.035 -0.257 1
1 1608 . 1 2 2 B 6 6 ALA HA H 462 4.060 4.095 -0.035 1
1 1612 . 1 2 2 B 6 6 ALA C C 462 178.002 179.740 -1.738 1
1 1613 . 1 2 2 B 6 6 ALA CA C 462 52.150 55.263 -3.113 1
1 1614 . 1 2 2 B 6 6 ALA CB C 462 14.865 18.219 -3.354 1
1 1615 . 1 2 2 B 6 6 ALA N N 462 120.253 121.388 -1.135 1
1 1616 . 1 2 2 B 7 7 ASN H H 463 8.372 7.736 0.636 1
1 1617 . 1 2 2 B 7 7 ASN HA H 463 4.459 4.418 0.041 1
1 1620 . 1 2 2 B 7 7 ASN C C 463 175.009 177.943 -2.934 1
1 1621 . 1 2 2 B 7 7 ASN CA C 463 53.033 56.576 -3.543 1
1 1622 . 1 2 2 B 7 7 ASN CB C 463 35.500 38.404 -2.904 1
1 1623 . 1 2 2 B 7 7 ASN N N 463 118.243 115.672 2.571 1
1 1624 . 1 2 2 B 8 8 TRP H H 464 8.533 8.331 0.202 1
1 1625 . 1 2 2 B 8 8 TRP HA H 464 4.203 3.967 0.236 1
1 1632 . 1 2 2 B 8 8 TRP C C 464 175.578 178.181 -2.603 1
1 1633 . 1 2 2 B 8 8 TRP CA C 464 58.190 61.300 -3.110 1
1 1634 . 1 2 2 B 8 8 TRP CB C 464 26.538 29.163 -2.625 1
1 1636 . 1 2 2 B 8 8 TRP N N 464 121.805 122.409 -0.604 1
1 1638 . 1 2 2 B 9 9 LEU H H 465 8.264 8.548 -0.284 1
1 1639 . 1 2 2 B 9 9 LEU HA H 465 4.172 3.729 0.443 1
1 1649 . 1 2 2 B 9 9 LEU C C 465 176.568 179.033 -2.465 1
1 1650 . 1 2 2 B 9 9 LEU CA C 465 55.499 58.179 -2.680 1
1 1651 . 1 2 2 B 9 9 LEU CB C 465 38.641 41.647 -3.006 1
1 1654 . 1 2 2 B 9 9 LEU N N 465 118.722 120.104 -1.382 1
1 1655 . 1 2 2 B 10 10 ARG H H 466 8.264 8.251 0.013 1
1 1656 . 1 2 2 B 10 10 ARG HA H 466 4.128 4.071 0.057 1
1 1660 . 1 2 2 B 10 10 ARG C C 466 175.900 179.016 -3.116 1
1 1661 . 1 2 2 B 10 10 ARG CA C 466 56.888 59.026 -2.138 1
1 1662 . 1 2 2 B 10 10 ARG CB C 466 27.368 29.889 -2.521 1
1 1664 . 1 2 2 B 10 10 ARG N N 466 120.684 117.903 2.781 1
1 1665 . 1 2 2 B 11 11 ALA H H 467 8.067 7.952 0.115 1
1 1666 . 1 2 2 B 11 11 ALA HA H 467 3.978 4.141 -0.163 1
1 1670 . 1 2 2 B 11 11 ALA C C 467 175.888 180.639 -4.751 1
1 1671 . 1 2 2 B 11 11 ALA CA C 467 52.558 55.221 -2.663 1
1 1672 . 1 2 2 B 11 11 ALA CB C 467 16.041 19.172 -3.131 1
1 1673 . 1 2 2 B 11 11 ALA N N 467 121.482 122.097 -0.615 1
1 1674 . 1 2 2 B 12 12 PHE H H 468 9.052 7.913 1.139 1
1 1675 . 1 2 2 B 12 12 PHE HA H 468 4.350 4.411 -0.061 1
1 1682 . 1 2 2 B 12 12 PHE C C 468 173.951 178.247 -4.296 1
1 1683 . 1 2 2 B 12 12 PHE CA C 468 58.326 61.504 -3.178 1
1 1684 . 1 2 2 B 12 12 PHE CB C 468 37.668 38.079 -0.411 1
1 1687 . 1 2 2 B 12 12 PHE N N 468 117.615 116.313 1.302 1
1 1688 . 1 2 2 B 13 13 ASN H H 469 8.602 8.507 0.095 1
1 1689 . 1 2 2 B 13 13 ASN HA H 469 4.166 4.381 -0.215 1
1 1692 . 1 2 2 B 13 13 ASN C C 469 174.785 177.551 -2.766 1
1 1693 . 1 2 2 B 13 13 ASN CA C 469 53.709 56.702 -2.993 1
1 1694 . 1 2 2 B 13 13 ASN CB C 469 35.325 38.716 -3.391 1
1 1695 . 1 2 2 B 13 13 ASN N N 469 116.425 119.007 -2.582 1
1 1696 . 1 2 2 B 14 14 LYS H H 470 8.076 8.224 -0.148 1
1 1697 . 1 2 2 B 14 14 LYS HA H 470 4.045 4.126 -0.081 1
1 1705 . 1 2 2 B 14 14 LYS C C 470 176.194 179.480 -3.286 1
1 1706 . 1 2 2 B 14 14 LYS CA C 470 57.174 59.430 -2.256 1
1 1707 . 1 2 2 B 14 14 LYS CB C 470 30.526 32.721 -2.195 1
1 1710 . 1 2 2 B 14 14 LYS N N 470 119.958 119.410 0.548 1
1 1711 . 1 2 2 B 15 15 VAL H H 471 8.410 7.565 0.845 1
1 1712 . 1 2 2 B 15 15 VAL HA H 471 3.532 3.837 -0.305 1
1 1720 . 1 2 2 B 15 15 VAL C C 471 174.970 177.765 -2.795 1
1 1721 . 1 2 2 B 15 15 VAL CA C 471 64.190 65.704 -1.514 1
1 1722 . 1 2 2 B 15 15 VAL CB C 471 28.483 31.420 -2.937 1
1 1725 . 1 2 2 B 15 15 VAL N N 471 121.488 115.774 5.714 1
1 1726 . 1 2 2 B 16 16 ARG H H 472 8.639 8.258 0.381 1
1 1727 . 1 2 2 B 16 16 ARG HA H 472 3.763 3.926 -0.163 1
1 1733 . 1 2 2 B 16 16 ARG C C 472 175.887 178.957 -3.070 1
1 1734 . 1 2 2 B 16 16 ARG CA C 472 56.805 59.820 -3.015 1
1 1735 . 1 2 2 B 16 16 ARG CB C 472 26.506 29.929 -3.423 1
1 1738 . 1 2 2 B 16 16 ARG N N 472 119.209 122.172 -2.963 1
1 1739 . 1 2 2 B 17 17 MET H H 473 7.701 8.249 -0.548 1
1 1740 . 1 2 2 B 17 17 MET HA H 473 4.105 4.141 -0.036 1
1 1747 . 1 2 2 B 17 17 MET C C 473 175.604 177.851 -2.247 1
1 1748 . 1 2 2 B 17 17 MET CA C 473 55.673 59.227 -3.554 1
1 1749 . 1 2 2 B 17 17 MET CB C 473 29.324 32.026 -2.702 1
1 1751 . 1 2 2 B 17 17 MET N N 473 117.427 118.061 -0.634 1
1 1752 . 1 2 2 B 18 18 GLN H H 474 7.733 7.936 -0.203 1
1 1753 . 1 2 2 B 18 18 GLN HA H 474 4.049 4.076 -0.027 1
1 1758 . 1 2 2 B 18 18 GLN C C 474 175.931 178.017 -2.086 1
1 1759 . 1 2 2 B 18 18 GLN CA C 474 55.976 58.569 -2.593 1
1 1760 . 1 2 2 B 18 18 GLN CB C 474 24.407 27.629 -3.222 1
1 1762 . 1 2 2 B 18 18 GLN N N 474 119.752 119.098 0.654 1
1 1763 . 1 2 2 B 19 19 LEU H H 475 8.151 8.324 -0.173 1
1 1764 . 1 2 2 B 19 19 LEU HA H 475 4.013 3.930 0.083 1
1 1774 . 1 2 2 B 19 19 LEU C C 475 176.150 179.556 -3.406 1
1 1775 . 1 2 2 B 19 19 LEU CA C 475 54.386 58.053 -3.667 1
1 1776 . 1 2 2 B 19 19 LEU CB C 475 39.047 41.518 -2.471 1
1 1780 . 1 2 2 B 19 19 LEU N N 475 120.063 121.424 -1.361 1
1 1781 . 1 2 2 B 20 20 GLN H H 476 7.911 8.366 -0.455 1
1 1782 . 1 2 2 B 20 20 GLN HA H 476 3.980 3.993 -0.013 1
1 1787 . 1 2 2 B 20 20 GLN C C 476 175.284 178.997 -3.713 1
1 1788 . 1 2 2 B 20 20 GLN CA C 476 55.365 59.320 -3.955 1
1 1789 . 1 2 2 B 20 20 GLN CB C 476 25.474 28.153 -2.679 1
1 1791 . 1 2 2 B 20 20 GLN N N 476 118.054 118.876 -0.822 1
1 1792 . 1 2 2 B 21 21 GLU H H 477 7.975 8.167 -0.192 1
1 1793 . 1 2 2 B 21 21 GLU HA H 477 4.016 4.022 -0.006 1
1 1797 . 1 2 2 B 21 21 GLU C C 477 174.854 178.567 -3.713 1
1 1798 . 1 2 2 B 21 21 GLU CA C 477 55.490 59.444 -3.954 1
1 1799 . 1 2 2 B 21 21 GLU CB C 477 26.666 29.260 -2.594 1
1 1801 . 1 2 2 B 21 21 GLU N N 477 119.803 119.944 -0.141 1
1 1802 . 1 2 2 B 22 22 ALA H H 478 7.726 7.142 0.584 1
1 1803 . 1 2 2 B 22 22 ALA HA H 478 4.190 4.124 0.066 1
1 1807 . 1 2 2 B 22 22 ALA C C 478 175.491 178.110 -2.619 1
1 1808 . 1 2 2 B 22 22 ALA CA C 478 50.517 54.502 -3.985 1
1 1809 . 1 2 2 B 22 22 ALA CB C 478 15.961 18.210 -2.249 1
1 1810 . 1 2 2 B 22 22 ALA N N 478 121.648 120.813 0.835 1
1 1811 . 1 2 2 B 23 23 ARG H H 479 7.645 7.209 0.436 1
1 1812 . 1 2 2 B 23 23 ARG HA H 479 4.211 4.144 0.067 1
1 1817 . 1 2 2 B 23 23 ARG C C 479 174.086 177.108 -3.022 1
1 1818 . 1 2 2 B 23 23 ARG CA C 479 53.836 58.026 -4.190 1
1 1819 . 1 2 2 B 23 23 ARG CB C 479 27.401 30.542 -3.141 1
1 1822 . 1 2 2 B 23 23 ARG N N 479 117.484 118.555 -1.071 1
1 1823 . 1 2 2 B 24 24 GLY H H 480 7.961 8.740 -0.779 1
1 1824 . 1 2 2 B 24 24 GLY HA2 H 480 3.909 3.909 0.000 1
1 1825 . 1 2 2 B 24 24 GLY HA3 H 480 3.909 3.910 -0.001 1
1 1826 . 1 2 2 B 24 24 GLY C C 480 171.195 173.828 -2.633 1
1 1827 . 1 2 2 B 24 24 GLY CA C 480 42.457 45.541 -3.084 1
1 1828 . 1 2 2 B 24 24 GLY N N 480 107.622 111.823 -4.201 1
1 1829 . 1 2 2 B 25 25 GLU H H 481 8.163 8.010 0.153 1
1 1830 . 1 2 2 B 25 25 GLU HA H 481 4.269 4.740 -0.471 1
1 1834 . 1 2 2 B 25 25 GLU C C 481 174.077 175.798 -1.721 1
1 1835 . 1 2 2 B 25 25 GLU CA C 481 53.780 54.494 -0.714 1
1 1836 . 1 2 2 B 25 25 GLU CB C 481 27.272 31.894 -4.622 1
1 1838 . 1 2 2 B 25 25 GLU N N 481 120.497 119.869 0.628 1
1 1839 . 1 2 2 B 26 26 GLY H H 482 8.350 8.608 -0.258 1
1 1840 . 1 2 2 B 26 26 GLY HA2 H 482 3.902 3.952 -0.050 1
1 1841 . 1 2 2 B 26 26 GLY HA3 H 482 3.902 3.956 -0.054 1
1 1842 . 1 2 2 B 26 26 GLY C C 482 171.213 171.948 -0.735 1
1 1843 . 1 2 2 B 26 26 GLY CA C 482 42.485 45.507 -3.022 1
1 1844 . 1 2 2 B 26 26 GLY N N 482 108.850 110.238 -1.388 1
1 1845 . 1 2 2 B 27 27 GLU H H 483 8.142 8.724 -0.582 1
1 1846 . 1 2 2 B 27 27 GLU HA H 483 4.132 4.922 -0.790 1
1 1850 . 1 2 2 B 27 27 GLU C C 483 174.078 175.937 -1.859 1
1 1851 . 1 2 2 B 27 27 GLU CA C 483 54.039 54.858 -0.819 1
1 1852 . 1 2 2 B 27 27 GLU CB C 483 27.066 32.984 -5.918 1
1 1854 . 1 2 2 B 27 27 GLU N N 483 120.369 123.695 -3.326 1
1 1855 . 1 2 2 B 28 28 MET H H 484 8.348 8.629 -0.281 1
1 1856 . 1 2 2 B 28 28 MET HA H 484 4.175 4.662 -0.487 1
1 1863 . 1 2 2 B 28 28 MET C C 484 173.796 176.382 -2.586 1
1 1864 . 1 2 2 B 28 28 MET CA C 484 53.324 54.698 -1.374 1
1 1865 . 1 2 2 B 28 28 MET CB C 484 29.849 32.595 -2.746 1
1 1868 . 1 2 2 B 28 28 MET N N 484 120.436 126.050 -5.614 1
1 1869 . 1 2 2 B 29 29 SER H H 485 8.125 7.849 0.276 1
1 1870 . 1 2 2 B 29 29 SER HA H 485 4.338 4.056 0.282 1
1 1873 . 1 2 2 B 29 29 SER C C 485 171.585 176.414 -4.829 1
1 1874 . 1 2 2 B 29 29 SER CA C 485 56.067 61.841 -5.774 1
1 1875 . 1 2 2 B 29 29 SER CB C 485 60.603 62.896 -2.293 1
1 1876 . 1 2 2 B 29 29 SER N N 485 115.589 116.559 -0.970 1
1 1877 . 1 2 2 B 30 30 LYS H H 486 7.986 7.631 0.355 1
1 1878 . 1 2 2 B 30 30 LYS HA H 486 4.220 3.977 0.243 1
1 1883 . 1 2 2 B 30 30 LYS C C 486 173.803 176.075 -2.272 1
1 1884 . 1 2 2 B 30 30 LYS CA C 486 53.958 58.854 -4.896 1
1 1885 . 1 2 2 B 30 30 LYS CB C 486 30.005 31.771 -1.766 1
1 1889 . 1 2 2 B 30 30 LYS N N 486 122.255 119.631 2.624 1
1 1890 . 1 2 2 B 31 31 SER H H 487 7.972 7.598 0.374 1
1 1891 . 1 2 2 B 31 31 SER HA H 487 3.676 4.410 -0.734 1
1 1894 . 1 2 2 B 31 31 SER C C 487 171.460 174.065 -2.605 1
1 1895 . 1 2 2 B 31 31 SER CA C 487 55.826 60.307 -4.481 1
1 1896 . 1 2 2 B 31 31 SER CB C 487 61.064 62.642 -1.578 1
1 1897 . 1 2 2 B 31 31 SER N N 487 114.856 114.351 0.505 1
1 1898 . 1 2 2 B 32 32 LEU H H 488 8.017 8.391 -0.374 1
1 1899 . 1 2 2 B 32 32 LEU HA H 488 4.300 4.525 -0.225 1
1 1909 . 1 2 2 B 32 32 LEU C C 488 174.074 176.759 -2.685 1
1 1910 . 1 2 2 B 32 32 LEU CA C 488 53.057 53.979 -0.922 1
1 1911 . 1 2 2 B 32 32 LEU CB C 488 39.082 43.238 -4.156 1
1 1914 . 1 2 2 B 32 32 LEU N N 488 123.172 121.834 1.338 1
1 1915 . 1 2 2 B 33 33 TRP H H 489 7.636 8.708 -1.072 1
1 1916 . 1 2 2 B 33 33 TRP HA H 489 4.124 4.268 -0.144 1
1 1923 . 1 2 2 B 33 33 TRP C C 489 172.511 177.056 -4.545 1
1 1924 . 1 2 2 B 33 33 TRP CA C 489 53.958 60.892 -6.934 1
1 1925 . 1 2 2 B 33 33 TRP CB C 489 26.283 27.807 -1.524 1
1 1927 . 1 2 2 B 33 33 TRP N N 489 117.409 118.199 -0.790 1
1 1929 . 1 2 2 B 34 34 PHE H H 490 7.377 9.425 -2.048 1
1 1930 . 1 2 2 B 34 34 PHE HA H 490 4.325 4.134 0.191 1
1 1937 . 1 2 2 B 34 34 PHE C C 490 172.418 177.349 -4.931 1
1 1938 . 1 2 2 B 34 34 PHE CA C 490 55.014 61.545 -6.531 1
1 1939 . 1 2 2 B 34 34 PHE CB C 490 36.680 39.327 -2.647 1
1 1942 . 1 2 2 B 34 34 PHE N N 490 119.308 119.559 -0.251 1
1 1943 . 1 2 2 B 35 35 LYS H H 491 7.864 8.330 -0.466 1
1 1944 . 1 2 2 B 35 35 LYS HA H 491 4.195 4.080 0.115 1
1 1950 . 1 2 2 B 35 35 LYS C C 491 172.483 179.026 -6.543 1
1 1951 . 1 2 2 B 35 35 LYS CA C 491 53.521 59.340 -5.819 1
1 1952 . 1 2 2 B 35 35 LYS CB C 491 30.222 32.343 -2.121 1
1 1956 . 1 2 2 B 35 35 LYS N N 491 123.484 117.312 6.172 1
1 1575 . 2 2 2 B 2 2 SER H H 458 8.193 9.076 -0.883 1
1 1577 . 2 2 2 B 2 2 SER C C 458 172.550 176.640 -4.090 1
1 1578 . 2 2 2 B 2 2 SER CA C 458 55.709 61.224 -5.515 1
1 1579 . 2 2 2 B 2 2 SER CB C 458 61.137 62.812 -1.675 1
1 1580 . 2 2 2 B 2 2 SER N N 458 120.637 119.861 0.776 1
1 1581 . 2 2 2 B 3 3 ARG H H 459 8.654 8.454 0.200 1
1 1582 . 2 2 2 B 3 3 ARG HA H 459 3.838 4.083 -0.245 1
1 1584 . 2 2 2 B 3 3 ARG C C 459 174.192 178.097 -3.905 1
1 1585 . 2 2 2 B 3 3 ARG CA C 459 55.993 58.699 -2.706 1
1 1586 . 2 2 2 B 3 3 ARG CB C 459 27.411 30.183 -2.772 1
1 1588 . 2 2 2 B 3 3 ARG N N 459 125.365 121.541 3.824 1
1 1589 . 2 2 2 B 4 4 ALA H H 460 8.193 7.806 0.387 1
1 1590 . 2 2 2 B 4 4 ALA HA H 460 4.164 4.033 0.131 1
1 1594 . 2 2 2 B 4 4 ALA C C 460 176.557 179.594 -3.037 1
1 1595 . 2 2 2 B 4 4 ALA CA C 460 52.358 54.832 -2.474 1
1 1596 . 2 2 2 B 4 4 ALA CB C 460 15.958 18.171 -2.213 1
1 1597 . 2 2 2 B 4 4 ALA N N 460 120.862 122.267 -1.405 1
1 1598 . 2 2 2 B 5 5 LYS H H 461 7.900 8.086 -0.186 1
1 1599 . 2 2 2 B 5 5 LYS HA H 461 4.185 4.019 0.166 1
1 1602 . 2 2 2 B 5 5 LYS C C 461 175.175 178.837 -3.662 1
1 1603 . 2 2 2 B 5 5 LYS CA C 461 56.959 59.949 -2.990 1
1 1604 . 2 2 2 B 5 5 LYS CB C 461 28.819 32.395 -3.576 1
1 1606 . 2 2 2 B 5 5 LYS N N 461 118.064 118.986 -0.922 1
1 1607 . 2 2 2 B 6 6 ALA H H 462 7.778 8.020 -0.242 1
1 1608 . 2 2 2 B 6 6 ALA HA H 462 4.060 4.101 -0.041 1
1 1612 . 2 2 2 B 6 6 ALA C C 462 178.002 179.791 -1.789 1
1 1613 . 2 2 2 B 6 6 ALA CA C 462 52.150 55.341 -3.191 1
1 1614 . 2 2 2 B 6 6 ALA CB C 462 14.865 18.283 -3.418 1
1 1615 . 2 2 2 B 6 6 ALA N N 462 120.253 120.569 -0.316 1
1 1616 . 2 2 2 B 7 7 ASN H H 463 8.372 8.229 0.143 1
1 1617 . 2 2 2 B 7 7 ASN HA H 463 4.459 4.411 0.048 1
1 1620 . 2 2 2 B 7 7 ASN C C 463 175.009 177.988 -2.979 1
1 1621 . 2 2 2 B 7 7 ASN CA C 463 53.033 56.569 -3.536 1
1 1622 . 2 2 2 B 7 7 ASN CB C 463 35.500 38.337 -2.837 1
1 1623 . 2 2 2 B 7 7 ASN N N 463 118.243 115.715 2.528 1
1 1624 . 2 2 2 B 8 8 TRP H H 464 8.533 8.329 0.204 1
1 1625 . 2 2 2 B 8 8 TRP HA H 464 4.203 4.056 0.147 1
1 1632 . 2 2 2 B 8 8 TRP C C 464 175.578 178.405 -2.827 1
1 1633 . 2 2 2 B 8 8 TRP CA C 464 58.190 61.212 -3.022 1
1 1634 . 2 2 2 B 8 8 TRP CB C 464 26.538 29.460 -2.922 1
1 1636 . 2 2 2 B 8 8 TRP N N 464 121.805 122.512 -0.707 1
1 1638 . 2 2 2 B 9 9 LEU H H 465 8.264 8.591 -0.327 1
1 1639 . 2 2 2 B 9 9 LEU HA H 465 4.172 3.779 0.393 1
1 1649 . 2 2 2 B 9 9 LEU C C 465 176.568 178.841 -2.273 1
1 1650 . 2 2 2 B 9 9 LEU CA C 465 55.499 58.198 -2.699 1
1 1651 . 2 2 2 B 9 9 LEU CB C 465 38.641 41.719 -3.078 1
1 1654 . 2 2 2 B 9 9 LEU N N 465 118.722 120.100 -1.378 1
1 1655 . 2 2 2 B 10 10 ARG H H 466 8.264 8.321 -0.057 1
1 1656 . 2 2 2 B 10 10 ARG HA H 466 4.128 4.071 0.057 1
1 1660 . 2 2 2 B 10 10 ARG C C 466 175.900 179.115 -3.215 1
1 1661 . 2 2 2 B 10 10 ARG CA C 466 56.888 59.146 -2.258 1
1 1662 . 2 2 2 B 10 10 ARG CB C 466 27.368 29.781 -2.413 1
1 1664 . 2 2 2 B 10 10 ARG N N 466 120.684 117.844 2.840 1
1 1665 . 2 2 2 B 11 11 ALA H H 467 8.067 7.959 0.108 1
1 1666 . 2 2 2 B 11 11 ALA HA H 467 3.978 4.105 -0.127 1
1 1670 . 2 2 2 B 11 11 ALA C C 467 175.888 180.547 -4.659 1
1 1671 . 2 2 2 B 11 11 ALA CA C 467 52.558 55.227 -2.669 1
1 1672 . 2 2 2 B 11 11 ALA CB C 467 16.041 18.898 -2.857 1
1 1673 . 2 2 2 B 11 11 ALA N N 467 121.482 122.265 -0.783 1
1 1674 . 2 2 2 B 12 12 PHE H H 468 9.052 8.004 1.048 1
1 1675 . 2 2 2 B 12 12 PHE HA H 468 4.350 4.377 -0.027 1
1 1682 . 2 2 2 B 12 12 PHE C C 468 173.951 178.265 -4.314 1
1 1683 . 2 2 2 B 12 12 PHE CA C 468 58.326 61.391 -3.065 1
1 1684 . 2 2 2 B 12 12 PHE CB C 468 37.668 38.004 -0.336 1
1 1687 . 2 2 2 B 12 12 PHE N N 468 117.615 116.277 1.338 1
1 1688 . 2 2 2 B 13 13 ASN H H 469 8.602 8.529 0.073 1
1 1689 . 2 2 2 B 13 13 ASN HA H 469 4.166 4.342 -0.176 1
1 1692 . 2 2 2 B 13 13 ASN C C 469 174.785 177.536 -2.751 1
1 1693 . 2 2 2 B 13 13 ASN CA C 469 53.709 56.747 -3.038 1
1 1694 . 2 2 2 B 13 13 ASN CB C 469 35.325 38.825 -3.500 1
1 1695 . 2 2 2 B 13 13 ASN N N 469 116.425 118.608 -2.183 1
1 1696 . 2 2 2 B 14 14 LYS H H 470 8.076 8.155 -0.079 1
1 1697 . 2 2 2 B 14 14 LYS HA H 470 4.045 4.126 -0.081 1
1 1705 . 2 2 2 B 14 14 LYS C C 470 176.194 179.357 -3.163 1
1 1706 . 2 2 2 B 14 14 LYS CA C 470 57.174 59.615 -2.441 1
1 1707 . 2 2 2 B 14 14 LYS CB C 470 30.526 32.726 -2.200 1
1 1710 . 2 2 2 B 14 14 LYS N N 470 119.958 119.767 0.191 1
1 1711 . 2 2 2 B 15 15 VAL H H 471 8.410 7.556 0.854 1
1 1712 . 2 2 2 B 15 15 VAL HA H 471 3.532 3.805 -0.273 1
1 1720 . 2 2 2 B 15 15 VAL C C 471 174.970 178.056 -3.086 1
1 1721 . 2 2 2 B 15 15 VAL CA C 471 64.190 65.493 -1.303 1
1 1722 . 2 2 2 B 15 15 VAL CB C 471 28.483 31.591 -3.108 1
1 1725 . 2 2 2 B 15 15 VAL N N 471 121.488 116.556 4.932 1
1 1726 . 2 2 2 B 16 16 ARG H H 472 8.639 8.300 0.339 1
1 1727 . 2 2 2 B 16 16 ARG HA H 472 3.763 3.900 -0.137 1
1 1733 . 2 2 2 B 16 16 ARG C C 472 175.887 178.982 -3.095 1
1 1734 . 2 2 2 B 16 16 ARG CA C 472 56.805 60.237 -3.432 1
1 1735 . 2 2 2 B 16 16 ARG CB C 472 26.506 29.827 -3.321 1
1 1738 . 2 2 2 B 16 16 ARG N N 472 119.209 122.061 -2.852 1
1 1739 . 2 2 2 B 17 17 MET H H 473 7.701 8.147 -0.446 1
1 1740 . 2 2 2 B 17 17 MET HA H 473 4.105 4.106 -0.001 1
1 1747 . 2 2 2 B 17 17 MET C C 473 175.604 177.908 -2.304 1
1 1748 . 2 2 2 B 17 17 MET CA C 473 55.673 59.317 -3.644 1
1 1749 . 2 2 2 B 17 17 MET CB C 473 29.324 32.442 -3.118 1
1 1751 . 2 2 2 B 17 17 MET N N 473 117.427 119.189 -1.762 1
1 1752 . 2 2 2 B 18 18 GLN H H 474 7.733 8.264 -0.531 1
1 1753 . 2 2 2 B 18 18 GLN HA H 474 4.049 4.085 -0.036 1
1 1758 . 2 2 2 B 18 18 GLN C C 474 175.931 177.668 -1.737 1
1 1759 . 2 2 2 B 18 18 GLN CA C 474 55.976 58.586 -2.610 1
1 1760 . 2 2 2 B 18 18 GLN CB C 474 24.407 27.877 -3.470 1
1 1762 . 2 2 2 B 18 18 GLN N N 474 119.752 118.671 1.081 1
1 1763 . 2 2 2 B 19 19 LEU H H 475 8.151 8.459 -0.308 1
1 1764 . 2 2 2 B 19 19 LEU HA H 475 4.013 4.015 -0.002 1
1 1774 . 2 2 2 B 19 19 LEU C C 475 176.150 179.216 -3.066 1
1 1775 . 2 2 2 B 19 19 LEU CA C 475 54.386 57.607 -3.221 1
1 1776 . 2 2 2 B 19 19 LEU CB C 475 39.047 41.241 -2.194 1
1 1780 . 2 2 2 B 19 19 LEU N N 475 120.063 121.180 -1.117 1
1 1781 . 2 2 2 B 20 20 GLN H H 476 7.911 8.031 -0.120 1
1 1782 . 2 2 2 B 20 20 GLN HA H 476 3.980 3.985 -0.005 1
1 1787 . 2 2 2 B 20 20 GLN C C 476 175.284 178.804 -3.520 1
1 1788 . 2 2 2 B 20 20 GLN CA C 476 55.365 59.212 -3.847 1
1 1789 . 2 2 2 B 20 20 GLN CB C 476 25.474 28.262 -2.788 1
1 1791 . 2 2 2 B 20 20 GLN N N 476 118.054 118.889 -0.835 1
1 1792 . 2 2 2 B 21 21 GLU H H 477 7.975 8.494 -0.519 1
1 1793 . 2 2 2 B 21 21 GLU HA H 477 4.016 4.008 0.008 1
1 1797 . 2 2 2 B 21 21 GLU C C 477 174.854 179.236 -4.382 1
1 1798 . 2 2 2 B 21 21 GLU CA C 477 55.490 59.413 -3.923 1
1 1799 . 2 2 2 B 21 21 GLU CB C 477 26.666 28.992 -2.326 1
1 1801 . 2 2 2 B 21 21 GLU N N 477 119.803 120.532 -0.729 1
1 1802 . 2 2 2 B 22 22 ALA H H 478 7.726 7.397 0.329 1
1 1803 . 2 2 2 B 22 22 ALA HA H 478 4.190 4.115 0.075 1
1 1807 . 2 2 2 B 22 22 ALA C C 478 175.491 178.203 -2.712 1
1 1808 . 2 2 2 B 22 22 ALA CA C 478 50.517 54.360 -3.843 1
1 1809 . 2 2 2 B 22 22 ALA CB C 478 15.961 18.280 -2.319 1
1 1810 . 2 2 2 B 22 22 ALA N N 478 121.648 121.115 0.533 1
1 1811 . 2 2 2 B 23 23 ARG H H 479 7.645 7.659 -0.014 1
1 1812 . 2 2 2 B 23 23 ARG HA H 479 4.211 4.360 -0.149 1
1 1817 . 2 2 2 B 23 23 ARG C C 479 174.086 176.335 -2.249 1
1 1818 . 2 2 2 B 23 23 ARG CA C 479 53.836 56.926 -3.090 1
1 1819 . 2 2 2 B 23 23 ARG CB C 479 27.401 30.759 -3.358 1
1 1822 . 2 2 2 B 23 23 ARG N N 479 117.484 118.209 -0.725 1
1 1823 . 2 2 2 B 24 24 GLY H H 480 7.961 8.422 -0.461 1
1 1824 . 2 2 2 B 24 24 GLY HA2 H 480 3.909 4.118 -0.209 1
1 1825 . 2 2 2 B 24 24 GLY HA3 H 480 3.909 4.120 -0.211 1
1 1826 . 2 2 2 B 24 24 GLY C C 480 171.195 172.361 -1.166 1
1 1827 . 2 2 2 B 24 24 GLY CA C 480 42.457 44.107 -1.650 1
1 1828 . 2 2 2 B 24 24 GLY N N 480 107.622 109.335 -1.713 1
1 1829 . 2 2 2 B 25 25 GLU H H 481 8.163 8.541 -0.378 1
1 1830 . 2 2 2 B 25 25 GLU HA H 481 4.269 5.120 -0.851 1
1 1834 . 2 2 2 B 25 25 GLU C C 481 174.077 176.061 -1.984 1
1 1835 . 2 2 2 B 25 25 GLU CA C 481 53.780 54.834 -1.054 1
1 1836 . 2 2 2 B 25 25 GLU CB C 481 27.272 32.452 -5.180 1
1 1838 . 2 2 2 B 25 25 GLU N N 481 120.497 120.870 -0.373 1
1 1839 . 2 2 2 B 26 26 GLY H H 482 8.350 8.435 -0.085 1
1 1840 . 2 2 2 B 26 26 GLY HA2 H 482 3.902 4.062 -0.160 1
1 1841 . 2 2 2 B 26 26 GLY HA3 H 482 3.902 4.071 -0.169 1
1 1842 . 2 2 2 B 26 26 GLY C C 482 171.213 175.812 -4.599 1
1 1843 . 2 2 2 B 26 26 GLY CA C 482 42.485 45.212 -2.727 1
1 1844 . 2 2 2 B 26 26 GLY N N 482 108.850 113.599 -4.749 1
1 1845 . 2 2 2 B 27 27 GLU H H 483 8.142 8.518 -0.376 1
1 1846 . 2 2 2 B 27 27 GLU HA H 483 4.132 4.061 0.071 1
1 1850 . 2 2 2 B 27 27 GLU C C 483 174.078 178.958 -4.880 1
1 1851 . 2 2 2 B 27 27 GLU CA C 483 54.039 59.737 -5.698 1
1 1852 . 2 2 2 B 27 27 GLU CB C 483 27.066 29.449 -2.383 1
1 1854 . 2 2 2 B 27 27 GLU N N 483 120.369 119.465 0.904 1
1 1855 . 2 2 2 B 28 28 MET H H 484 8.348 8.074 0.274 1
1 1856 . 2 2 2 B 28 28 MET HA H 484 4.175 4.142 0.033 1
1 1863 . 2 2 2 B 28 28 MET C C 484 173.796 176.460 -2.664 1
1 1864 . 2 2 2 B 28 28 MET CA C 484 53.324 58.798 -5.474 1
1 1865 . 2 2 2 B 28 28 MET CB C 484 29.849 32.520 -2.671 1
1 1868 . 2 2 2 B 28 28 MET N N 484 120.436 120.003 0.433 1
1 1869 . 2 2 2 B 29 29 SER H H 485 8.125 7.136 0.989 1
1 1870 . 2 2 2 B 29 29 SER HA H 485 4.338 4.378 -0.040 1
1 1873 . 2 2 2 B 29 29 SER C C 485 171.585 174.302 -2.717 1
1 1874 . 2 2 2 B 29 29 SER CA C 485 56.067 57.951 -1.884 1
1 1875 . 2 2 2 B 29 29 SER CB C 485 60.603 64.118 -3.515 1
1 1876 . 2 2 2 B 29 29 SER N N 485 115.589 113.396 2.193 1
1 1877 . 2 2 2 B 30 30 LYS H H 486 7.986 8.831 -0.845 1
1 1878 . 2 2 2 B 30 30 LYS HA H 486 4.220 3.818 0.402 1
1 1883 . 2 2 2 B 30 30 LYS C C 486 173.803 176.681 -2.878 1
1 1884 . 2 2 2 B 30 30 LYS CA C 486 53.958 56.804 -2.846 1
1 1885 . 2 2 2 B 30 30 LYS CB C 486 30.005 29.316 0.689 1
1 1889 . 2 2 2 B 30 30 LYS N N 486 122.255 116.607 5.648 1
1 1890 . 2 2 2 B 31 31 SER H H 487 7.972 8.000 -0.028 1
1 1891 . 2 2 2 B 31 31 SER HA H 487 3.676 4.191 -0.515 1
1 1894 . 2 2 2 B 31 31 SER C C 487 171.460 175.157 -3.697 1
1 1895 . 2 2 2 B 31 31 SER CA C 487 55.826 61.429 -5.603 1
1 1896 . 2 2 2 B 31 31 SER CB C 487 61.064 63.393 -2.329 1
1 1897 . 2 2 2 B 31 31 SER N N 487 114.856 114.525 0.331 1
1 1898 . 2 2 2 B 32 32 LEU H H 488 8.017 8.045 -0.028 1
1 1899 . 2 2 2 B 32 32 LEU HA H 488 4.300 4.574 -0.274 1
1 1909 . 2 2 2 B 32 32 LEU C C 488 174.074 177.557 -3.483 1
1 1910 . 2 2 2 B 32 32 LEU CA C 488 53.057 55.470 -2.413 1
1 1911 . 2 2 2 B 32 32 LEU CB C 488 39.082 44.324 -5.242 1
1 1914 . 2 2 2 B 32 32 LEU N N 488 123.172 115.203 7.969 1
1 1915 . 2 2 2 B 33 33 TRP H H 489 7.636 8.397 -0.761 1
1 1916 . 2 2 2 B 33 33 TRP HA H 489 4.124 4.549 -0.425 1
1 1923 . 2 2 2 B 33 33 TRP C C 489 172.511 178.596 -6.085 1
1 1924 . 2 2 2 B 33 33 TRP CA C 489 53.958 58.994 -5.036 1
1 1925 . 2 2 2 B 33 33 TRP CB C 489 26.283 29.896 -3.613 1
1 1927 . 2 2 2 B 33 33 TRP N N 489 117.409 119.551 -2.142 1
1 1929 . 2 2 2 B 34 34 PHE H H 490 7.377 8.315 -0.938 1
1 1930 . 2 2 2 B 34 34 PHE HA H 490 4.325 4.206 0.119 1
1 1937 . 2 2 2 B 34 34 PHE C C 490 172.418 177.221 -4.803 1
1 1938 . 2 2 2 B 34 34 PHE CA C 490 55.014 61.655 -6.641 1
1 1939 . 2 2 2 B 34 34 PHE CB C 490 36.680 39.080 -2.400 1
1 1942 . 2 2 2 B 34 34 PHE N N 490 119.308 120.650 -1.342 1
1 1943 . 2 2 2 B 35 35 LYS H H 491 7.864 8.453 -0.589 1
1 1944 . 2 2 2 B 35 35 LYS HA H 491 4.195 4.120 0.075 1
1 1950 . 2 2 2 B 35 35 LYS C C 491 172.483 179.962 -7.479 1
1 1951 . 2 2 2 B 35 35 LYS CA C 491 53.521 59.344 -5.823 1
1 1952 . 2 2 2 B 35 35 LYS CB C 491 30.222 32.314 -2.092 1
1 1956 . 2 2 2 B 35 35 LYS N N 491 123.484 117.173 6.311 1
1 1575 . 3 2 2 B 2 2 SER H H 458 8.193 8.374 -0.181 1
1 1577 . 3 2 2 B 2 2 SER C C 458 172.550 174.757 -2.207 1
1 1578 . 3 2 2 B 2 2 SER CA C 458 55.709 60.966 -5.257 1
1 1579 . 3 2 2 B 2 2 SER CB C 458 61.137 62.658 -1.521 1
1 1580 . 3 2 2 B 2 2 SER N N 458 120.637 114.127 6.510 1
1 1581 . 3 2 2 B 3 3 ARG H H 459 8.654 7.496 1.158 1
1 1582 . 3 2 2 B 3 3 ARG HA H 459 3.838 4.274 -0.436 1
1 1584 . 3 2 2 B 3 3 ARG C C 459 174.192 177.172 -2.980 1
1 1585 . 3 2 2 B 3 3 ARG CA C 459 55.993 55.535 0.458 1
1 1586 . 3 2 2 B 3 3 ARG CB C 459 27.411 31.527 -4.116 1
1 1588 . 3 2 2 B 3 3 ARG N N 459 125.365 122.082 3.283 1
1 1589 . 3 2 2 B 4 4 ALA H H 460 8.193 8.975 -0.782 1
1 1590 . 3 2 2 B 4 4 ALA HA H 460 4.164 3.929 0.235 1
1 1594 . 3 2 2 B 4 4 ALA C C 460 176.557 179.525 -2.968 1
1 1595 . 3 2 2 B 4 4 ALA CA C 460 52.358 54.996 -2.638 1
1 1596 . 3 2 2 B 4 4 ALA CB C 460 15.958 18.343 -2.385 1
1 1597 . 3 2 2 B 4 4 ALA N N 460 120.862 128.293 -7.431 1
1 1598 . 3 2 2 B 5 5 LYS H H 461 7.900 8.173 -0.273 1
1 1599 . 3 2 2 B 5 5 LYS HA H 461 4.185 4.082 0.103 1
1 1602 . 3 2 2 B 5 5 LYS C C 461 175.175 178.868 -3.693 1
1 1603 . 3 2 2 B 5 5 LYS CA C 461 56.959 59.927 -2.968 1
1 1604 . 3 2 2 B 5 5 LYS CB C 461 28.819 32.362 -3.543 1
1 1606 . 3 2 2 B 5 5 LYS N N 461 118.064 119.050 -0.986 1
1 1607 . 3 2 2 B 6 6 ALA H H 462 7.778 8.066 -0.288 1
1 1608 . 3 2 2 B 6 6 ALA HA H 462 4.060 4.107 -0.047 1
1 1612 . 3 2 2 B 6 6 ALA C C 462 178.002 180.166 -2.164 1
1 1613 . 3 2 2 B 6 6 ALA CA C 462 52.150 55.172 -3.022 1
1 1614 . 3 2 2 B 6 6 ALA CB C 462 14.865 18.054 -3.189 1
1 1615 . 3 2 2 B 6 6 ALA N N 462 120.253 120.646 -0.393 1
1 1616 . 3 2 2 B 7 7 ASN H H 463 8.372 8.316 0.056 1
1 1617 . 3 2 2 B 7 7 ASN HA H 463 4.459 4.428 0.031 1
1 1620 . 3 2 2 B 7 7 ASN C C 463 175.009 178.156 -3.147 1
1 1621 . 3 2 2 B 7 7 ASN CA C 463 53.033 56.744 -3.711 1
1 1622 . 3 2 2 B 7 7 ASN CB C 463 35.500 38.292 -2.792 1
1 1623 . 3 2 2 B 7 7 ASN N N 463 118.243 116.049 2.194 1
1 1624 . 3 2 2 B 8 8 TRP H H 464 8.533 8.771 -0.238 1
1 1625 . 3 2 2 B 8 8 TRP HA H 464 4.203 4.123 0.080 1
1 1632 . 3 2 2 B 8 8 TRP C C 464 175.578 178.345 -2.767 1
1 1633 . 3 2 2 B 8 8 TRP CA C 464 58.190 61.111 -2.921 1
1 1634 . 3 2 2 B 8 8 TRP CB C 464 26.538 29.436 -2.898 1
1 1636 . 3 2 2 B 8 8 TRP N N 464 121.805 123.542 -1.737 1
1 1638 . 3 2 2 B 9 9 LEU H H 465 8.264 8.607 -0.343 1
1 1639 . 3 2 2 B 9 9 LEU HA H 465 4.172 3.712 0.460 1
1 1649 . 3 2 2 B 9 9 LEU C C 465 176.568 178.911 -2.343 1
1 1650 . 3 2 2 B 9 9 LEU CA C 465 55.499 58.150 -2.651 1
1 1651 . 3 2 2 B 9 9 LEU CB C 465 38.641 41.655 -3.014 1
1 1654 . 3 2 2 B 9 9 LEU N N 465 118.722 119.933 -1.211 1
1 1655 . 3 2 2 B 10 10 ARG H H 466 8.264 8.335 -0.071 1
1 1656 . 3 2 2 B 10 10 ARG HA H 466 4.128 4.063 0.065 1
1 1660 . 3 2 2 B 10 10 ARG C C 466 175.900 179.135 -3.235 1
1 1661 . 3 2 2 B 10 10 ARG CA C 466 56.888 59.094 -2.206 1
1 1662 . 3 2 2 B 10 10 ARG CB C 466 27.368 29.776 -2.408 1
1 1664 . 3 2 2 B 10 10 ARG N N 466 120.684 117.832 2.852 1
1 1665 . 3 2 2 B 11 11 ALA H H 467 8.067 7.963 0.104 1
1 1666 . 3 2 2 B 11 11 ALA HA H 467 3.978 4.093 -0.115 1
1 1670 . 3 2 2 B 11 11 ALA C C 467 175.888 180.484 -4.596 1
1 1671 . 3 2 2 B 11 11 ALA CA C 467 52.558 55.136 -2.578 1
1 1672 . 3 2 2 B 11 11 ALA CB C 467 16.041 19.070 -3.029 1
1 1673 . 3 2 2 B 11 11 ALA N N 467 121.482 122.260 -0.778 1
1 1674 . 3 2 2 B 12 12 PHE H H 468 9.052 7.952 1.100 1
1 1675 . 3 2 2 B 12 12 PHE HA H 468 4.350 4.447 -0.097 1
1 1682 . 3 2 2 B 12 12 PHE C C 468 173.951 178.317 -4.366 1
1 1683 . 3 2 2 B 12 12 PHE CA C 468 58.326 61.251 -2.925 1
1 1684 . 3 2 2 B 12 12 PHE CB C 468 37.668 37.902 -0.234 1
1 1687 . 3 2 2 B 12 12 PHE N N 468 117.615 116.316 1.299 1
1 1688 . 3 2 2 B 13 13 ASN H H 469 8.602 8.464 0.138 1
1 1689 . 3 2 2 B 13 13 ASN HA H 469 4.166 4.334 -0.168 1
1 1692 . 3 2 2 B 13 13 ASN C C 469 174.785 177.617 -2.832 1
1 1693 . 3 2 2 B 13 13 ASN CA C 469 53.709 56.753 -3.044 1
1 1694 . 3 2 2 B 13 13 ASN CB C 469 35.325 38.760 -3.435 1
1 1695 . 3 2 2 B 13 13 ASN N N 469 116.425 118.647 -2.222 1
1 1696 . 3 2 2 B 14 14 LYS H H 470 8.076 8.137 -0.061 1
1 1697 . 3 2 2 B 14 14 LYS HA H 470 4.045 4.103 -0.058 1
1 1705 . 3 2 2 B 14 14 LYS C C 470 176.194 179.602 -3.408 1
1 1706 . 3 2 2 B 14 14 LYS CA C 470 57.174 59.533 -2.359 1
1 1707 . 3 2 2 B 14 14 LYS CB C 470 30.526 32.541 -2.015 1
1 1710 . 3 2 2 B 14 14 LYS N N 470 119.958 119.353 0.605 1
1 1711 . 3 2 2 B 15 15 VAL H H 471 8.410 7.822 0.588 1
1 1712 . 3 2 2 B 15 15 VAL HA H 471 3.532 3.595 -0.063 1
1 1720 . 3 2 2 B 15 15 VAL C C 471 174.970 177.863 -2.893 1
1 1721 . 3 2 2 B 15 15 VAL CA C 471 64.190 66.800 -2.610 1
1 1722 . 3 2 2 B 15 15 VAL CB C 471 28.483 31.506 -3.023 1
1 1725 . 3 2 2 B 15 15 VAL N N 471 121.488 119.936 1.552 1
1 1726 . 3 2 2 B 16 16 ARG H H 472 8.639 8.396 0.243 1
1 1727 . 3 2 2 B 16 16 ARG HA H 472 3.763 3.905 -0.142 1
1 1733 . 3 2 2 B 16 16 ARG C C 472 175.887 179.016 -3.129 1
1 1734 . 3 2 2 B 16 16 ARG CA C 472 56.805 60.161 -3.356 1
1 1735 . 3 2 2 B 16 16 ARG CB C 472 26.506 29.824 -3.318 1
1 1738 . 3 2 2 B 16 16 ARG N N 472 119.209 119.537 -0.328 1
1 1739 . 3 2 2 B 17 17 MET H H 473 7.701 8.140 -0.439 1
1 1740 . 3 2 2 B 17 17 MET HA H 473 4.105 4.107 -0.002 1
1 1747 . 3 2 2 B 17 17 MET C C 473 175.604 177.941 -2.337 1
1 1748 . 3 2 2 B 17 17 MET CA C 473 55.673 59.655 -3.982 1
1 1749 . 3 2 2 B 17 17 MET CB C 473 29.324 32.647 -3.323 1
1 1751 . 3 2 2 B 17 17 MET N N 473 117.427 119.358 -1.931 1
1 1752 . 3 2 2 B 18 18 GLN H H 474 7.733 7.988 -0.255 1
1 1753 . 3 2 2 B 18 18 GLN HA H 474 4.049 4.099 -0.050 1
1 1758 . 3 2 2 B 18 18 GLN C C 474 175.931 178.081 -2.150 1
1 1759 . 3 2 2 B 18 18 GLN CA C 474 55.976 58.429 -2.453 1
1 1760 . 3 2 2 B 18 18 GLN CB C 474 24.407 27.683 -3.276 1
1 1762 . 3 2 2 B 18 18 GLN N N 474 119.752 119.021 0.731 1
1 1763 . 3 2 2 B 19 19 LEU H H 475 8.151 8.053 0.098 1
1 1764 . 3 2 2 B 19 19 LEU HA H 475 4.013 3.924 0.089 1
1 1774 . 3 2 2 B 19 19 LEU C C 475 176.150 179.586 -3.436 1
1 1775 . 3 2 2 B 19 19 LEU CA C 475 54.386 58.056 -3.670 1
1 1776 . 3 2 2 B 19 19 LEU CB C 475 39.047 41.564 -2.517 1
1 1780 . 3 2 2 B 19 19 LEU N N 475 120.063 121.427 -1.364 1
1 1781 . 3 2 2 B 20 20 GLN H H 476 7.911 8.327 -0.416 1
1 1782 . 3 2 2 B 20 20 GLN HA H 476 3.980 4.004 -0.024 1
1 1787 . 3 2 2 B 20 20 GLN C C 476 175.284 179.188 -3.904 1
1 1788 . 3 2 2 B 20 20 GLN CA C 476 55.365 59.331 -3.966 1
1 1789 . 3 2 2 B 20 20 GLN CB C 476 25.474 28.123 -2.649 1
1 1791 . 3 2 2 B 20 20 GLN N N 476 118.054 118.902 -0.848 1
1 1792 . 3 2 2 B 21 21 GLU H H 477 7.975 8.121 -0.146 1
1 1793 . 3 2 2 B 21 21 GLU HA H 477 4.016 4.026 -0.010 1
1 1797 . 3 2 2 B 21 21 GLU C C 477 174.854 178.942 -4.088 1
1 1798 . 3 2 2 B 21 21 GLU CA C 477 55.490 59.412 -3.922 1
1 1799 . 3 2 2 B 21 21 GLU CB C 477 26.666 29.338 -2.672 1
1 1801 . 3 2 2 B 21 21 GLU N N 477 119.803 120.040 -0.237 1
1 1802 . 3 2 2 B 22 22 ALA H H 478 7.726 7.507 0.219 1
1 1803 . 3 2 2 B 22 22 ALA HA H 478 4.190 4.096 0.094 1
1 1807 . 3 2 2 B 22 22 ALA C C 478 175.491 178.280 -2.789 1
1 1808 . 3 2 2 B 22 22 ALA CA C 478 50.517 54.745 -4.228 1
1 1809 . 3 2 2 B 22 22 ALA CB C 478 15.961 18.466 -2.505 1
1 1810 . 3 2 2 B 22 22 ALA N N 478 121.648 121.044 0.604 1
1 1811 . 3 2 2 B 23 23 ARG H H 479 7.645 7.547 0.098 1
1 1812 . 3 2 2 B 23 23 ARG HA H 479 4.211 4.146 0.065 1
1 1817 . 3 2 2 B 23 23 ARG C C 479 174.086 177.178 -3.092 1
1 1818 . 3 2 2 B 23 23 ARG CA C 479 53.836 58.210 -4.374 1
1 1819 . 3 2 2 B 23 23 ARG CB C 479 27.401 30.500 -3.099 1
1 1822 . 3 2 2 B 23 23 ARG N N 479 117.484 118.743 -1.259 1
1 1823 . 3 2 2 B 24 24 GLY H H 480 7.961 8.811 -0.850 1
1 1824 . 3 2 2 B 24 24 GLY HA2 H 480 3.909 3.962 -0.053 1
1 1825 . 3 2 2 B 24 24 GLY HA3 H 480 3.909 3.962 -0.053 1
1 1826 . 3 2 2 B 24 24 GLY C C 480 171.195 174.569 -3.374 1
1 1827 . 3 2 2 B 24 24 GLY CA C 480 42.457 45.349 -2.892 1
1 1828 . 3 2 2 B 24 24 GLY N N 480 107.622 112.825 -5.203 1
1 1829 . 3 2 2 B 25 25 GLU H H 481 8.163 8.306 -0.143 1
1 1830 . 3 2 2 B 25 25 GLU HA H 481 4.269 4.118 0.151 1
1 1834 . 3 2 2 B 25 25 GLU C C 481 174.077 176.810 -2.733 1
1 1835 . 3 2 2 B 25 25 GLU CA C 481 53.780 58.623 -4.843 1
1 1836 . 3 2 2 B 25 25 GLU CB C 481 27.272 28.434 -1.162 1
1 1838 . 3 2 2 B 25 25 GLU N N 481 120.497 117.806 2.691 1
1 1839 . 3 2 2 B 26 26 GLY H H 482 8.350 8.626 -0.276 1
1 1840 . 3 2 2 B 26 26 GLY HA2 H 482 3.902 4.026 -0.124 1
1 1841 . 3 2 2 B 26 26 GLY HA3 H 482 3.902 4.029 -0.127 1
1 1842 . 3 2 2 B 26 26 GLY C C 482 171.213 175.434 -4.221 1
1 1843 . 3 2 2 B 26 26 GLY CA C 482 42.485 45.654 -3.169 1
1 1844 . 3 2 2 B 26 26 GLY N N 482 108.850 110.965 -2.115 1
1 1845 . 3 2 2 B 27 27 GLU H H 483 8.142 8.361 -0.219 1
1 1846 . 3 2 2 B 27 27 GLU HA H 483 4.132 4.126 0.006 1
1 1850 . 3 2 2 B 27 27 GLU C C 483 174.078 176.571 -2.493 1
1 1851 . 3 2 2 B 27 27 GLU CA C 483 54.039 59.553 -5.514 1
1 1852 . 3 2 2 B 27 27 GLU CB C 483 27.066 29.418 -2.352 1
1 1854 . 3 2 2 B 27 27 GLU N N 483 120.369 120.479 -0.110 1
1 1855 . 3 2 2 B 28 28 MET H H 484 8.348 8.036 0.312 1
1 1856 . 3 2 2 B 28 28 MET HA H 484 4.175 4.252 -0.077 1
1 1863 . 3 2 2 B 28 28 MET C C 484 173.796 175.875 -2.079 1
1 1864 . 3 2 2 B 28 28 MET CA C 484 53.324 56.869 -3.545 1
1 1865 . 3 2 2 B 28 28 MET CB C 484 29.849 31.081 -1.232 1
1 1868 . 3 2 2 B 28 28 MET N N 484 120.436 116.881 3.555 1
1 1869 . 3 2 2 B 29 29 SER H H 485 8.125 7.787 0.338 1
1 1870 . 3 2 2 B 29 29 SER HA H 485 4.338 4.167 0.171 1
1 1873 . 3 2 2 B 29 29 SER C C 485 171.585 175.573 -3.988 1
1 1874 . 3 2 2 B 29 29 SER CA C 485 56.067 62.017 -5.950 1
1 1875 . 3 2 2 B 29 29 SER CB C 485 60.603 63.133 -2.530 1
1 1876 . 3 2 2 B 29 29 SER N N 485 115.589 114.116 1.473 1
1 1877 . 3 2 2 B 30 30 LYS H H 486 7.986 8.390 -0.404 1
1 1878 . 3 2 2 B 30 30 LYS HA H 486 4.220 4.167 0.053 1
1 1883 . 3 2 2 B 30 30 LYS C C 486 173.803 176.966 -3.163 1
1 1884 . 3 2 2 B 30 30 LYS CA C 486 53.958 56.566 -2.608 1
1 1885 . 3 2 2 B 30 30 LYS CB C 486 30.005 31.506 -1.501 1
1 1889 . 3 2 2 B 30 30 LYS N N 486 122.255 118.505 3.750 1
1 1890 . 3 2 2 B 31 31 SER H H 487 7.972 8.812 -0.840 1
1 1891 . 3 2 2 B 31 31 SER HA H 487 3.676 4.239 -0.563 1
1 1894 . 3 2 2 B 31 31 SER C C 487 171.460 174.111 -2.651 1
1 1895 . 3 2 2 B 31 31 SER CA C 487 55.826 61.246 -5.420 1
1 1896 . 3 2 2 B 31 31 SER CB C 487 61.064 63.779 -2.715 1
1 1897 . 3 2 2 B 31 31 SER N N 487 114.856 116.218 -1.362 1
1 1898 . 3 2 2 B 32 32 LEU H H 488 8.017 7.659 0.358 1
1 1899 . 3 2 2 B 32 32 LEU HA H 488 4.300 4.607 -0.307 1
1 1909 . 3 2 2 B 32 32 LEU C C 488 174.074 176.159 -2.085 1
1 1910 . 3 2 2 B 32 32 LEU CA C 488 53.057 54.199 -1.142 1
1 1911 . 3 2 2 B 32 32 LEU CB C 488 39.082 43.352 -4.270 1
1 1914 . 3 2 2 B 32 32 LEU N N 488 123.172 114.879 8.293 1
1 1915 . 3 2 2 B 33 33 TRP H H 489 7.636 8.834 -1.198 1
1 1916 . 3 2 2 B 33 33 TRP HA H 489 4.124 4.301 -0.177 1
1 1923 . 3 2 2 B 33 33 TRP C C 489 172.511 176.826 -4.315 1
1 1924 . 3 2 2 B 33 33 TRP CA C 489 53.958 61.073 -7.115 1
1 1925 . 3 2 2 B 33 33 TRP CB C 489 26.283 27.633 -1.350 1
1 1927 . 3 2 2 B 33 33 TRP N N 489 117.409 118.664 -1.255 1
1 1929 . 3 2 2 B 34 34 PHE H H 490 7.377 9.322 -1.945 1
1 1930 . 3 2 2 B 34 34 PHE HA H 490 4.325 4.146 0.179 1
1 1937 . 3 2 2 B 34 34 PHE C C 490 172.418 177.637 -5.219 1
1 1938 . 3 2 2 B 34 34 PHE CA C 490 55.014 61.407 -6.393 1
1 1939 . 3 2 2 B 34 34 PHE CB C 490 36.680 39.242 -2.562 1
1 1942 . 3 2 2 B 34 34 PHE N N 490 119.308 119.632 -0.324 1
1 1943 . 3 2 2 B 35 35 LYS H H 491 7.864 8.670 -0.806 1
1 1944 . 3 2 2 B 35 35 LYS HA H 491 4.195 4.062 0.133 1
1 1950 . 3 2 2 B 35 35 LYS C C 491 172.483 177.305 -4.822 1
1 1951 . 3 2 2 B 35 35 LYS CA C 491 53.521 58.340 -4.819 1
1 1952 . 3 2 2 B 35 35 LYS CB C 491 30.222 31.662 -1.440 1
1 1956 . 3 2 2 B 35 35 LYS N N 491 123.484 117.373 6.111 1
1 1575 . 4 2 2 B 2 2 SER H H 458 8.193 8.772 -0.579 1
1 1577 . 4 2 2 B 2 2 SER C C 458 172.550 173.808 -1.258 1
1 1578 . 4 2 2 B 2 2 SER CA C 458 55.709 60.696 -4.987 1
1 1579 . 4 2 2 B 2 2 SER CB C 458 61.137 61.907 -0.770 1
1 1580 . 4 2 2 B 2 2 SER N N 458 120.637 111.097 9.540 1
1 1581 . 4 2 2 B 3 3 ARG H H 459 8.654 8.793 -0.139 1
1 1582 . 4 2 2 B 3 3 ARG HA H 459 3.838 4.141 -0.303 1
1 1584 . 4 2 2 B 3 3 ARG C C 459 174.192 176.377 -2.185 1
1 1585 . 4 2 2 B 3 3 ARG CA C 459 55.993 59.129 -3.136 1
1 1586 . 4 2 2 B 3 3 ARG CB C 459 27.411 29.743 -2.332 1
1 1588 . 4 2 2 B 3 3 ARG N N 459 125.365 123.481 1.884 1
1 1589 . 4 2 2 B 4 4 ALA H H 460 8.193 8.342 -0.149 1
1 1590 . 4 2 2 B 4 4 ALA HA H 460 4.164 4.072 0.092 1
1 1594 . 4 2 2 B 4 4 ALA C C 460 176.557 179.464 -2.907 1
1 1595 . 4 2 2 B 4 4 ALA CA C 460 52.358 54.369 -2.011 1
1 1596 . 4 2 2 B 4 4 ALA CB C 460 15.958 18.341 -2.383 1
1 1597 . 4 2 2 B 4 4 ALA N N 460 120.862 121.519 -0.657 1
1 1598 . 4 2 2 B 5 5 LYS H H 461 7.900 8.195 -0.295 1
1 1599 . 4 2 2 B 5 5 LYS HA H 461 4.185 4.089 0.096 1
1 1602 . 4 2 2 B 5 5 LYS C C 461 175.175 178.732 -3.557 1
1 1603 . 4 2 2 B 5 5 LYS CA C 461 56.959 60.007 -3.048 1
1 1604 . 4 2 2 B 5 5 LYS CB C 461 28.819 32.484 -3.665 1
1 1606 . 4 2 2 B 5 5 LYS N N 461 118.064 118.958 -0.894 1
1 1607 . 4 2 2 B 6 6 ALA H H 462 7.778 8.081 -0.303 1
1 1608 . 4 2 2 B 6 6 ALA HA H 462 4.060 4.087 -0.027 1
1 1612 . 4 2 2 B 6 6 ALA C C 462 178.002 180.203 -2.201 1
1 1613 . 4 2 2 B 6 6 ALA CA C 462 52.150 55.339 -3.189 1
1 1614 . 4 2 2 B 6 6 ALA CB C 462 14.865 18.171 -3.306 1
1 1615 . 4 2 2 B 6 6 ALA N N 462 120.253 120.614 -0.361 1
1 1616 . 4 2 2 B 7 7 ASN H H 463 8.372 8.172 0.200 1
1 1617 . 4 2 2 B 7 7 ASN HA H 463 4.459 4.411 0.048 1
1 1620 . 4 2 2 B 7 7 ASN C C 463 175.009 177.790 -2.781 1
1 1621 . 4 2 2 B 7 7 ASN CA C 463 53.033 56.775 -3.742 1
1 1622 . 4 2 2 B 7 7 ASN CB C 463 35.500 38.443 -2.943 1
1 1623 . 4 2 2 B 7 7 ASN N N 463 118.243 115.515 2.728 1
1 1624 . 4 2 2 B 8 8 TRP H H 464 8.533 8.662 -0.129 1
1 1625 . 4 2 2 B 8 8 TRP HA H 464 4.203 4.020 0.183 1
1 1632 . 4 2 2 B 8 8 TRP C C 464 175.578 178.212 -2.634 1
1 1633 . 4 2 2 B 8 8 TRP CA C 464 58.190 61.098 -2.908 1
1 1634 . 4 2 2 B 8 8 TRP CB C 464 26.538 29.571 -3.033 1
1 1636 . 4 2 2 B 8 8 TRP N N 464 121.805 123.431 -1.626 1
1 1638 . 4 2 2 B 9 9 LEU H H 465 8.264 8.702 -0.438 1
1 1639 . 4 2 2 B 9 9 LEU HA H 465 4.172 3.816 0.356 1
1 1649 . 4 2 2 B 9 9 LEU C C 465 176.568 179.008 -2.440 1
1 1650 . 4 2 2 B 9 9 LEU CA C 465 55.499 58.247 -2.748 1
1 1651 . 4 2 2 B 9 9 LEU CB C 465 38.641 41.703 -3.062 1
1 1654 . 4 2 2 B 9 9 LEU N N 465 118.722 120.026 -1.304 1
1 1655 . 4 2 2 B 10 10 ARG H H 466 8.264 8.186 0.078 1
1 1656 . 4 2 2 B 10 10 ARG HA H 466 4.128 4.079 0.049 1
1 1660 . 4 2 2 B 10 10 ARG C C 466 175.900 178.948 -3.048 1
1 1661 . 4 2 2 B 10 10 ARG CA C 466 56.888 59.038 -2.150 1
1 1662 . 4 2 2 B 10 10 ARG CB C 466 27.368 29.863 -2.495 1
1 1664 . 4 2 2 B 10 10 ARG N N 466 120.684 118.089 2.595 1
1 1665 . 4 2 2 B 11 11 ALA H H 467 8.067 7.987 0.080 1
1 1666 . 4 2 2 B 11 11 ALA HA H 467 3.978 4.073 -0.095 1
1 1670 . 4 2 2 B 11 11 ALA C C 467 175.888 180.417 -4.529 1
1 1671 . 4 2 2 B 11 11 ALA CA C 467 52.558 55.103 -2.545 1
1 1672 . 4 2 2 B 11 11 ALA CB C 467 16.041 18.926 -2.885 1
1 1673 . 4 2 2 B 11 11 ALA N N 467 121.482 122.048 -0.566 1
1 1674 . 4 2 2 B 12 12 PHE H H 468 9.052 7.753 1.299 1
1 1675 . 4 2 2 B 12 12 PHE HA H 468 4.350 4.402 -0.052 1
1 1682 . 4 2 2 B 12 12 PHE C C 468 173.951 178.476 -4.525 1
1 1683 . 4 2 2 B 12 12 PHE CA C 468 58.326 61.563 -3.237 1
1 1684 . 4 2 2 B 12 12 PHE CB C 468 37.668 38.162 -0.494 1
1 1687 . 4 2 2 B 12 12 PHE N N 468 117.615 116.314 1.301 1
1 1688 . 4 2 2 B 13 13 ASN H H 469 8.602 8.511 0.091 1
1 1689 . 4 2 2 B 13 13 ASN HA H 469 4.166 4.363 -0.197 1
1 1692 . 4 2 2 B 13 13 ASN C C 469 174.785 177.563 -2.778 1
1 1693 . 4 2 2 B 13 13 ASN CA C 469 53.709 56.578 -2.869 1
1 1694 . 4 2 2 B 13 13 ASN CB C 469 35.325 39.007 -3.682 1
1 1695 . 4 2 2 B 13 13 ASN N N 469 116.425 118.403 -1.978 1
1 1696 . 4 2 2 B 14 14 LYS H H 470 8.076 8.188 -0.112 1
1 1697 . 4 2 2 B 14 14 LYS HA H 470 4.045 4.060 -0.015 1
1 1705 . 4 2 2 B 14 14 LYS C C 470 176.194 179.361 -3.167 1
1 1706 . 4 2 2 B 14 14 LYS CA C 470 57.174 59.352 -2.178 1
1 1707 . 4 2 2 B 14 14 LYS CB C 470 30.526 32.567 -2.041 1
1 1710 . 4 2 2 B 14 14 LYS N N 470 119.958 119.389 0.569 1
1 1711 . 4 2 2 B 15 15 VAL H H 471 8.410 7.517 0.893 1
1 1712 . 4 2 2 B 15 15 VAL HA H 471 3.532 3.823 -0.291 1
1 1720 . 4 2 2 B 15 15 VAL C C 471 174.970 178.126 -3.156 1
1 1721 . 4 2 2 B 15 15 VAL CA C 471 64.190 65.707 -1.517 1
1 1722 . 4 2 2 B 15 15 VAL CB C 471 28.483 31.555 -3.072 1
1 1725 . 4 2 2 B 15 15 VAL N N 471 121.488 116.097 5.391 1
1 1726 . 4 2 2 B 16 16 ARG H H 472 8.639 8.338 0.301 1
1 1727 . 4 2 2 B 16 16 ARG HA H 472 3.763 3.928 -0.165 1
1 1733 . 4 2 2 B 16 16 ARG C C 472 175.887 178.934 -3.047 1
1 1734 . 4 2 2 B 16 16 ARG CA C 472 56.805 60.215 -3.410 1
1 1735 . 4 2 2 B 16 16 ARG CB C 472 26.506 29.976 -3.470 1
1 1738 . 4 2 2 B 16 16 ARG N N 472 119.209 121.932 -2.723 1
1 1739 . 4 2 2 B 17 17 MET H H 473 7.701 8.567 -0.866 1
1 1740 . 4 2 2 B 17 17 MET HA H 473 4.105 4.123 -0.018 1
1 1747 . 4 2 2 B 17 17 MET C C 473 175.604 177.852 -2.248 1
1 1748 . 4 2 2 B 17 17 MET CA C 473 55.673 59.516 -3.843 1
1 1749 . 4 2 2 B 17 17 MET CB C 473 29.324 32.473 -3.149 1
1 1751 . 4 2 2 B 17 17 MET N N 473 117.427 119.430 -2.003 1
1 1752 . 4 2 2 B 18 18 GLN H H 474 7.733 7.901 -0.168 1
1 1753 . 4 2 2 B 18 18 GLN HA H 474 4.049 4.107 -0.058 1
1 1758 . 4 2 2 B 18 18 GLN C C 474 175.931 178.117 -2.186 1
1 1759 . 4 2 2 B 18 18 GLN CA C 474 55.976 58.517 -2.541 1
1 1760 . 4 2 2 B 18 18 GLN CB C 474 24.407 27.909 -3.502 1
1 1762 . 4 2 2 B 18 18 GLN N N 474 119.752 119.081 0.671 1
1 1763 . 4 2 2 B 19 19 LEU H H 475 8.151 8.594 -0.443 1
1 1764 . 4 2 2 B 19 19 LEU HA H 475 4.013 3.969 0.044 1
1 1774 . 4 2 2 B 19 19 LEU C C 475 176.150 179.232 -3.082 1
1 1775 . 4 2 2 B 19 19 LEU CA C 475 54.386 57.882 -3.496 1
1 1776 . 4 2 2 B 19 19 LEU CB C 475 39.047 41.399 -2.352 1
1 1780 . 4 2 2 B 19 19 LEU N N 475 120.063 121.241 -1.178 1
1 1781 . 4 2 2 B 20 20 GLN H H 476 7.911 7.870 0.041 1
1 1782 . 4 2 2 B 20 20 GLN HA H 476 3.980 4.059 -0.079 1
1 1787 . 4 2 2 B 20 20 GLN C C 476 175.284 178.989 -3.705 1
1 1788 . 4 2 2 B 20 20 GLN CA C 476 55.365 59.309 -3.944 1
1 1789 . 4 2 2 B 20 20 GLN CB C 476 25.474 27.970 -2.496 1
1 1791 . 4 2 2 B 20 20 GLN N N 476 118.054 118.972 -0.918 1
1 1792 . 4 2 2 B 21 21 GLU H H 477 7.975 8.480 -0.505 1
1 1793 . 4 2 2 B 21 21 GLU HA H 477 4.016 4.026 -0.010 1
1 1797 . 4 2 2 B 21 21 GLU C C 477 174.854 178.751 -3.897 1
1 1798 . 4 2 2 B 21 21 GLU CA C 477 55.490 59.398 -3.908 1
1 1799 . 4 2 2 B 21 21 GLU CB C 477 26.666 29.298 -2.632 1
1 1801 . 4 2 2 B 21 21 GLU N N 477 119.803 119.859 -0.056 1
1 1802 . 4 2 2 B 22 22 ALA H H 478 7.726 7.937 -0.211 1
1 1803 . 4 2 2 B 22 22 ALA HA H 478 4.190 4.048 0.142 1
1 1807 . 4 2 2 B 22 22 ALA C C 478 175.491 179.801 -4.310 1
1 1808 . 4 2 2 B 22 22 ALA CA C 478 50.517 55.106 -4.589 1
1 1809 . 4 2 2 B 22 22 ALA CB C 478 15.961 18.334 -2.373 1
1 1810 . 4 2 2 B 22 22 ALA N N 478 121.648 122.006 -0.358 1
1 1811 . 4 2 2 B 23 23 ARG H H 479 7.645 7.469 0.176 1
1 1812 . 4 2 2 B 23 23 ARG HA H 479 4.211 4.052 0.159 1
1 1817 . 4 2 2 B 23 23 ARG C C 479 174.086 177.343 -3.257 1
1 1818 . 4 2 2 B 23 23 ARG CA C 479 53.836 58.293 -4.457 1
1 1819 . 4 2 2 B 23 23 ARG CB C 479 27.401 30.268 -2.867 1
1 1822 . 4 2 2 B 23 23 ARG N N 479 117.484 116.372 1.112 1
1 1823 . 4 2 2 B 24 24 GLY H H 480 7.961 8.220 -0.259 1
1 1824 . 4 2 2 B 24 24 GLY HA2 H 480 3.909 3.914 -0.005 1
1 1825 . 4 2 2 B 24 24 GLY HA3 H 480 3.909 3.914 -0.005 1
1 1826 . 4 2 2 B 24 24 GLY C C 480 171.195 173.961 -2.766 1
1 1827 . 4 2 2 B 24 24 GLY CA C 480 42.457 46.209 -3.752 1
1 1828 . 4 2 2 B 24 24 GLY N N 480 107.622 107.652 -0.030 1
1 1829 . 4 2 2 B 25 25 GLU H H 481 8.163 8.000 0.163 1
1 1830 . 4 2 2 B 25 25 GLU HA H 481 4.269 4.802 -0.533 1
1 1834 . 4 2 2 B 25 25 GLU C C 481 174.077 176.003 -1.926 1
1 1835 . 4 2 2 B 25 25 GLU CA C 481 53.780 54.435 -0.655 1
1 1836 . 4 2 2 B 25 25 GLU CB C 481 27.272 32.326 -5.054 1
1 1838 . 4 2 2 B 25 25 GLU N N 481 120.497 119.458 1.039 1
1 1839 . 4 2 2 B 26 26 GLY H H 482 8.350 8.613 -0.263 1
1 1840 . 4 2 2 B 26 26 GLY HA2 H 482 3.902 4.135 -0.233 1
1 1841 . 4 2 2 B 26 26 GLY HA3 H 482 3.902 4.140 -0.238 1
1 1842 . 4 2 2 B 26 26 GLY C C 482 171.213 172.306 -1.093 1
1 1843 . 4 2 2 B 26 26 GLY CA C 482 42.485 44.378 -1.893 1
1 1844 . 4 2 2 B 26 26 GLY N N 482 108.850 109.350 -0.500 1
1 1845 . 4 2 2 B 27 27 GLU H H 483 8.142 8.375 -0.233 1
1 1846 . 4 2 2 B 27 27 GLU HA H 483 4.132 4.897 -0.765 1
1 1850 . 4 2 2 B 27 27 GLU C C 483 174.078 174.589 -0.511 1
1 1851 . 4 2 2 B 27 27 GLU CA C 483 54.039 54.757 -0.718 1
1 1852 . 4 2 2 B 27 27 GLU CB C 483 27.066 33.825 -6.759 1
1 1854 . 4 2 2 B 27 27 GLU N N 483 120.369 119.863 0.506 1
1 1855 . 4 2 2 B 28 28 MET H H 484 8.348 8.415 -0.067 1
1 1856 . 4 2 2 B 28 28 MET HA H 484 4.175 4.728 -0.553 1
1 1863 . 4 2 2 B 28 28 MET C C 484 173.796 175.777 -1.981 1
1 1864 . 4 2 2 B 28 28 MET CA C 484 53.324 54.066 -0.742 1
1 1865 . 4 2 2 B 28 28 MET CB C 484 29.849 33.572 -3.723 1
1 1868 . 4 2 2 B 28 28 MET N N 484 120.436 124.549 -4.113 1
1 1869 . 4 2 2 B 29 29 SER H H 485 8.125 8.643 -0.518 1
1 1870 . 4 2 2 B 29 29 SER HA H 485 4.338 4.491 -0.153 1
1 1873 . 4 2 2 B 29 29 SER C C 485 171.585 174.176 -2.591 1
1 1874 . 4 2 2 B 29 29 SER CA C 485 56.067 57.903 -1.836 1
1 1875 . 4 2 2 B 29 29 SER CB C 485 60.603 64.471 -3.868 1
1 1876 . 4 2 2 B 29 29 SER N N 485 115.589 115.201 0.388 1
1 1877 . 4 2 2 B 30 30 LYS H H 486 7.986 8.824 -0.838 1
1 1878 . 4 2 2 B 30 30 LYS HA H 486 4.220 4.666 -0.446 1
1 1883 . 4 2 2 B 30 30 LYS C C 486 173.803 176.690 -2.887 1
1 1884 . 4 2 2 B 30 30 LYS CA C 486 53.958 54.985 -1.027 1
1 1885 . 4 2 2 B 30 30 LYS CB C 486 30.005 31.899 -1.894 1
1 1889 . 4 2 2 B 30 30 LYS N N 486 122.255 124.211 -1.956 1
1 1890 . 4 2 2 B 31 31 SER H H 487 7.972 8.711 -0.739 1
1 1891 . 4 2 2 B 31 31 SER HA H 487 3.676 4.169 -0.493 1
1 1894 . 4 2 2 B 31 31 SER C C 487 171.460 175.039 -3.579 1
1 1895 . 4 2 2 B 31 31 SER CA C 487 55.826 61.475 -5.649 1
1 1896 . 4 2 2 B 31 31 SER CB C 487 61.064 63.386 -2.322 1
1 1897 . 4 2 2 B 31 31 SER N N 487 114.856 121.895 -7.039 1
1 1898 . 4 2 2 B 32 32 LEU H H 488 8.017 7.865 0.152 1
1 1899 . 4 2 2 B 32 32 LEU HA H 488 4.300 4.406 -0.106 1
1 1909 . 4 2 2 B 32 32 LEU C C 488 174.074 177.463 -3.389 1
1 1910 . 4 2 2 B 32 32 LEU CA C 488 53.057 55.423 -2.366 1
1 1911 . 4 2 2 B 32 32 LEU CB C 488 39.082 43.695 -4.613 1
1 1914 . 4 2 2 B 32 32 LEU N N 488 123.172 114.975 8.197 1
1 1915 . 4 2 2 B 33 33 TRP H H 489 7.636 8.125 -0.489 1
1 1916 . 4 2 2 B 33 33 TRP HA H 489 4.124 4.472 -0.348 1
1 1923 . 4 2 2 B 33 33 TRP C C 489 172.511 176.713 -4.202 1
1 1924 . 4 2 2 B 33 33 TRP CA C 489 53.958 59.858 -5.900 1
1 1925 . 4 2 2 B 33 33 TRP CB C 489 26.283 29.601 -3.318 1
1 1927 . 4 2 2 B 33 33 TRP N N 489 117.409 119.619 -2.210 1
1 1929 . 4 2 2 B 34 34 PHE H H 490 7.377 8.073 -0.696 1
1 1930 . 4 2 2 B 34 34 PHE HA H 490 4.325 5.015 -0.690 1
1 1937 . 4 2 2 B 34 34 PHE C C 490 172.418 174.289 -1.871 1
1 1938 . 4 2 2 B 34 34 PHE CA C 490 55.014 56.980 -1.966 1
1 1939 . 4 2 2 B 34 34 PHE CB C 490 36.680 40.632 -3.952 1
1 1942 . 4 2 2 B 34 34 PHE N N 490 119.308 121.160 -1.852 1
1 1943 . 4 2 2 B 35 35 LYS H H 491 7.864 8.321 -0.457 1
1 1944 . 4 2 2 B 35 35 LYS HA H 491 4.195 5.040 -0.845 1
1 1950 . 4 2 2 B 35 35 LYS C C 491 172.483 175.267 -2.784 1
1 1951 . 4 2 2 B 35 35 LYS CA C 491 53.521 54.731 -1.210 1
1 1952 . 4 2 2 B 35 35 LYS CB C 491 30.222 35.596 -5.374 1
1 1956 . 4 2 2 B 35 35 LYS N N 491 123.484 126.259 -2.775 1
1 1575 . 5 2 2 B 2 2 SER H H 458 8.193 8.053 0.140 1
1 1577 . 5 2 2 B 2 2 SER C C 458 172.550 174.118 -1.568 1
1 1578 . 5 2 2 B 2 2 SER CA C 458 55.709 60.916 -5.207 1
1 1579 . 5 2 2 B 2 2 SER CB C 458 61.137 63.079 -1.942 1
1 1580 . 5 2 2 B 2 2 SER N N 458 120.637 115.924 4.713 1
1 1581 . 5 2 2 B 3 3 ARG H H 459 8.654 7.794 0.860 1
1 1582 . 5 2 2 B 3 3 ARG HA H 459 3.838 4.678 -0.840 1
1 1584 . 5 2 2 B 3 3 ARG C C 459 174.192 176.506 -2.314 1
1 1585 . 5 2 2 B 3 3 ARG CA C 459 55.993 53.986 2.007 1
1 1586 . 5 2 2 B 3 3 ARG CB C 459 27.411 33.154 -5.743 1
1 1588 . 5 2 2 B 3 3 ARG N N 459 125.365 120.839 4.526 1
1 1589 . 5 2 2 B 4 4 ALA H H 460 8.193 8.845 -0.652 1
1 1590 . 5 2 2 B 4 4 ALA HA H 460 4.164 3.875 0.289 1
1 1594 . 5 2 2 B 4 4 ALA C C 460 176.557 179.678 -3.121 1
1 1595 . 5 2 2 B 4 4 ALA CA C 460 52.358 55.105 -2.747 1
1 1596 . 5 2 2 B 4 4 ALA CB C 460 15.958 18.143 -2.185 1
1 1597 . 5 2 2 B 4 4 ALA N N 460 120.862 127.135 -6.273 1
1 1598 . 5 2 2 B 5 5 LYS H H 461 7.900 8.286 -0.386 1
1 1599 . 5 2 2 B 5 5 LYS HA H 461 4.185 4.134 0.051 1
1 1602 . 5 2 2 B 5 5 LYS C C 461 175.175 179.080 -3.905 1
1 1603 . 5 2 2 B 5 5 LYS CA C 461 56.959 59.826 -2.867 1
1 1604 . 5 2 2 B 5 5 LYS CB C 461 28.819 32.454 -3.635 1
1 1606 . 5 2 2 B 5 5 LYS N N 461 118.064 118.252 -0.188 1
1 1607 . 5 2 2 B 6 6 ALA H H 462 7.778 8.104 -0.326 1
1 1608 . 5 2 2 B 6 6 ALA HA H 462 4.060 4.119 -0.059 1
1 1612 . 5 2 2 B 6 6 ALA C C 462 178.002 180.271 -2.269 1
1 1613 . 5 2 2 B 6 6 ALA CA C 462 52.150 55.357 -3.207 1
1 1614 . 5 2 2 B 6 6 ALA CB C 462 14.865 18.123 -3.258 1
1 1615 . 5 2 2 B 6 6 ALA N N 462 120.253 121.643 -1.390 1
1 1616 . 5 2 2 B 7 7 ASN H H 463 8.372 8.270 0.102 1
1 1617 . 5 2 2 B 7 7 ASN HA H 463 4.459 4.421 0.038 1
1 1620 . 5 2 2 B 7 7 ASN C C 463 175.009 178.034 -3.025 1
1 1621 . 5 2 2 B 7 7 ASN CA C 463 53.033 56.718 -3.685 1
1 1622 . 5 2 2 B 7 7 ASN CB C 463 35.500 38.281 -2.781 1
1 1623 . 5 2 2 B 7 7 ASN N N 463 118.243 115.828 2.415 1
1 1624 . 5 2 2 B 8 8 TRP H H 464 8.533 8.727 -0.194 1
1 1625 . 5 2 2 B 8 8 TRP HA H 464 4.203 4.070 0.133 1
1 1632 . 5 2 2 B 8 8 TRP C C 464 175.578 178.386 -2.808 1
1 1633 . 5 2 2 B 8 8 TRP CA C 464 58.190 61.268 -3.078 1
1 1634 . 5 2 2 B 8 8 TRP CB C 464 26.538 29.561 -3.023 1
1 1636 . 5 2 2 B 8 8 TRP N N 464 121.805 123.327 -1.522 1
1 1638 . 5 2 2 B 9 9 LEU H H 465 8.264 8.694 -0.430 1
1 1639 . 5 2 2 B 9 9 LEU HA H 465 4.172 3.896 0.276 1
1 1649 . 5 2 2 B 9 9 LEU C C 465 176.568 179.017 -2.449 1
1 1650 . 5 2 2 B 9 9 LEU CA C 465 55.499 58.288 -2.789 1
1 1651 . 5 2 2 B 9 9 LEU CB C 465 38.641 41.691 -3.050 1
1 1654 . 5 2 2 B 9 9 LEU N N 465 118.722 120.144 -1.422 1
1 1655 . 5 2 2 B 10 10 ARG H H 466 8.264 8.265 -0.001 1
1 1656 . 5 2 2 B 10 10 ARG HA H 466 4.128 4.085 0.043 1
1 1660 . 5 2 2 B 10 10 ARG C C 466 175.900 178.964 -3.064 1
1 1661 . 5 2 2 B 10 10 ARG CA C 466 56.888 59.053 -2.165 1
1 1662 . 5 2 2 B 10 10 ARG CB C 466 27.368 29.886 -2.518 1
1 1664 . 5 2 2 B 10 10 ARG N N 466 120.684 117.930 2.754 1
1 1665 . 5 2 2 B 11 11 ALA H H 467 8.067 8.093 -0.026 1
1 1666 . 5 2 2 B 11 11 ALA HA H 467 3.978 4.017 -0.039 1
1 1670 . 5 2 2 B 11 11 ALA C C 467 175.888 180.262 -4.374 1
1 1671 . 5 2 2 B 11 11 ALA CA C 467 52.558 55.084 -2.526 1
1 1672 . 5 2 2 B 11 11 ALA CB C 467 16.041 18.895 -2.854 1
1 1673 . 5 2 2 B 11 11 ALA N N 467 121.482 122.236 -0.754 1
1 1674 . 5 2 2 B 12 12 PHE H H 468 9.052 7.719 1.333 1
1 1675 . 5 2 2 B 12 12 PHE HA H 468 4.350 4.414 -0.064 1
1 1682 . 5 2 2 B 12 12 PHE C C 468 173.951 178.444 -4.493 1
1 1683 . 5 2 2 B 12 12 PHE CA C 468 58.326 61.482 -3.156 1
1 1684 . 5 2 2 B 12 12 PHE CB C 468 37.668 38.055 -0.387 1
1 1687 . 5 2 2 B 12 12 PHE N N 468 117.615 116.342 1.273 1
1 1688 . 5 2 2 B 13 13 ASN H H 469 8.602 8.485 0.117 1
1 1689 . 5 2 2 B 13 13 ASN HA H 469 4.166 4.374 -0.208 1
1 1692 . 5 2 2 B 13 13 ASN C C 469 174.785 177.518 -2.733 1
1 1693 . 5 2 2 B 13 13 ASN CA C 469 53.709 56.637 -2.928 1
1 1694 . 5 2 2 B 13 13 ASN CB C 469 35.325 38.705 -3.380 1
1 1695 . 5 2 2 B 13 13 ASN N N 469 116.425 118.463 -2.038 1
1 1696 . 5 2 2 B 14 14 LYS H H 470 8.076 8.195 -0.119 1
1 1697 . 5 2 2 B 14 14 LYS HA H 470 4.045 4.053 -0.008 1
1 1705 . 5 2 2 B 14 14 LYS C C 470 176.194 179.383 -3.189 1
1 1706 . 5 2 2 B 14 14 LYS CA C 470 57.174 59.289 -2.115 1
1 1707 . 5 2 2 B 14 14 LYS CB C 470 30.526 32.580 -2.054 1
1 1710 . 5 2 2 B 14 14 LYS N N 470 119.958 119.346 0.612 1
1 1711 . 5 2 2 B 15 15 VAL H H 471 8.410 7.448 0.962 1
1 1712 . 5 2 2 B 15 15 VAL HA H 471 3.532 3.846 -0.314 1
1 1720 . 5 2 2 B 15 15 VAL C C 471 174.970 177.933 -2.963 1
1 1721 . 5 2 2 B 15 15 VAL CA C 471 64.190 65.686 -1.496 1
1 1722 . 5 2 2 B 15 15 VAL CB C 471 28.483 31.476 -2.993 1
1 1725 . 5 2 2 B 15 15 VAL N N 471 121.488 115.539 5.949 1
1 1726 . 5 2 2 B 16 16 ARG H H 472 8.639 8.167 0.472 1
1 1727 . 5 2 2 B 16 16 ARG HA H 472 3.763 3.962 -0.199 1
1 1733 . 5 2 2 B 16 16 ARG C C 472 175.887 178.862 -2.975 1
1 1734 . 5 2 2 B 16 16 ARG CA C 472 56.805 59.697 -2.892 1
1 1735 . 5 2 2 B 16 16 ARG CB C 472 26.506 29.922 -3.416 1
1 1738 . 5 2 2 B 16 16 ARG N N 472 119.209 122.245 -3.036 1
1 1739 . 5 2 2 B 17 17 MET H H 473 7.701 8.328 -0.627 1
1 1740 . 5 2 2 B 17 17 MET HA H 473 4.105 4.129 -0.024 1
1 1747 . 5 2 2 B 17 17 MET C C 473 175.604 177.916 -2.312 1
1 1748 . 5 2 2 B 17 17 MET CA C 473 55.673 59.228 -3.555 1
1 1749 . 5 2 2 B 17 17 MET CB C 473 29.324 31.886 -2.562 1
1 1751 . 5 2 2 B 17 17 MET N N 473 117.427 118.144 -0.717 1
1 1752 . 5 2 2 B 18 18 GLN H H 474 7.733 7.987 -0.254 1
1 1753 . 5 2 2 B 18 18 GLN HA H 474 4.049 4.089 -0.040 1
1 1758 . 5 2 2 B 18 18 GLN C C 474 175.931 178.026 -2.095 1
1 1759 . 5 2 2 B 18 18 GLN CA C 474 55.976 58.520 -2.544 1
1 1760 . 5 2 2 B 18 18 GLN CB C 474 24.407 27.570 -3.163 1
1 1762 . 5 2 2 B 18 18 GLN N N 474 119.752 118.590 1.162 1
1 1763 . 5 2 2 B 19 19 LEU H H 475 8.151 8.255 -0.104 1
1 1764 . 5 2 2 B 19 19 LEU HA H 475 4.013 3.923 0.090 1
1 1774 . 5 2 2 B 19 19 LEU C C 475 176.150 179.395 -3.245 1
1 1775 . 5 2 2 B 19 19 LEU CA C 475 54.386 58.059 -3.673 1
1 1776 . 5 2 2 B 19 19 LEU CB C 475 39.047 41.634 -2.587 1
1 1780 . 5 2 2 B 19 19 LEU N N 475 120.063 121.211 -1.148 1
1 1781 . 5 2 2 B 20 20 GLN H H 476 7.911 8.304 -0.393 1
1 1782 . 5 2 2 B 20 20 GLN HA H 476 3.980 4.077 -0.097 1
1 1787 . 5 2 2 B 20 20 GLN C C 476 175.284 179.118 -3.834 1
1 1788 . 5 2 2 B 20 20 GLN CA C 476 55.365 59.211 -3.846 1
1 1789 . 5 2 2 B 20 20 GLN CB C 476 25.474 27.918 -2.444 1
1 1791 . 5 2 2 B 20 20 GLN N N 476 118.054 118.740 -0.686 1
1 1792 . 5 2 2 B 21 21 GLU H H 477 7.975 8.238 -0.263 1
1 1793 . 5 2 2 B 21 21 GLU HA H 477 4.016 3.998 0.018 1
1 1797 . 5 2 2 B 21 21 GLU C C 477 174.854 179.373 -4.519 1
1 1798 . 5 2 2 B 21 21 GLU CA C 477 55.490 59.330 -3.840 1
1 1799 . 5 2 2 B 21 21 GLU CB C 477 26.666 29.068 -2.402 1
1 1801 . 5 2 2 B 21 21 GLU N N 477 119.803 120.839 -1.036 1
1 1802 . 5 2 2 B 22 22 ALA H H 478 7.726 7.440 0.286 1
1 1803 . 5 2 2 B 22 22 ALA HA H 478 4.190 4.099 0.091 1
1 1807 . 5 2 2 B 22 22 ALA C C 478 175.491 178.258 -2.767 1
1 1808 . 5 2 2 B 22 22 ALA CA C 478 50.517 54.974 -4.457 1
1 1809 . 5 2 2 B 22 22 ALA CB C 478 15.961 18.354 -2.393 1
1 1810 . 5 2 2 B 22 22 ALA N N 478 121.648 120.914 0.734 1
1 1811 . 5 2 2 B 23 23 ARG H H 479 7.645 7.743 -0.098 1
1 1812 . 5 2 2 B 23 23 ARG HA H 479 4.211 4.393 -0.182 1
1 1817 . 5 2 2 B 23 23 ARG C C 479 174.086 176.327 -2.241 1
1 1818 . 5 2 2 B 23 23 ARG CA C 479 53.836 56.851 -3.015 1
1 1819 . 5 2 2 B 23 23 ARG CB C 479 27.401 30.859 -3.458 1
1 1822 . 5 2 2 B 23 23 ARG N N 479 117.484 117.844 -0.360 1
1 1823 . 5 2 2 B 24 24 GLY H H 480 7.961 8.534 -0.573 1
1 1824 . 5 2 2 B 24 24 GLY HA2 H 480 3.909 4.152 -0.243 1
1 1825 . 5 2 2 B 24 24 GLY HA3 H 480 3.909 4.154 -0.245 1
1 1826 . 5 2 2 B 24 24 GLY C C 480 171.195 173.091 -1.896 1
1 1827 . 5 2 2 B 24 24 GLY CA C 480 42.457 44.306 -1.849 1
1 1828 . 5 2 2 B 24 24 GLY N N 480 107.622 109.295 -1.673 1
1 1829 . 5 2 2 B 25 25 GLU H H 481 8.163 8.649 -0.486 1
1 1830 . 5 2 2 B 25 25 GLU HA H 481 4.269 4.884 -0.615 1
1 1834 . 5 2 2 B 25 25 GLU C C 481 174.077 175.848 -1.771 1
1 1835 . 5 2 2 B 25 25 GLU CA C 481 53.780 54.950 -1.170 1
1 1836 . 5 2 2 B 25 25 GLU CB C 481 27.272 33.158 -5.886 1
1 1838 . 5 2 2 B 25 25 GLU N N 481 120.497 119.793 0.704 1
1 1839 . 5 2 2 B 26 26 GLY H H 482 8.350 8.410 -0.060 1
1 1840 . 5 2 2 B 26 26 GLY HA2 H 482 3.902 4.125 -0.223 1
1 1841 . 5 2 2 B 26 26 GLY HA3 H 482 3.902 4.125 -0.223 1
1 1842 . 5 2 2 B 26 26 GLY C C 482 171.213 173.781 -2.568 1
1 1843 . 5 2 2 B 26 26 GLY CA C 482 42.485 44.477 -1.992 1
1 1844 . 5 2 2 B 26 26 GLY N N 482 108.850 109.500 -0.650 1
1 1845 . 5 2 2 B 27 27 GLU H H 483 8.142 9.068 -0.926 1
1 1846 . 5 2 2 B 27 27 GLU HA H 483 4.132 3.962 0.170 1
1 1850 . 5 2 2 B 27 27 GLU C C 483 174.078 176.292 -2.214 1
1 1851 . 5 2 2 B 27 27 GLU CA C 483 54.039 58.726 -4.687 1
1 1852 . 5 2 2 B 27 27 GLU CB C 483 27.066 28.219 -1.153 1
1 1854 . 5 2 2 B 27 27 GLU N N 483 120.369 118.995 1.374 1
1 1855 . 5 2 2 B 28 28 MET H H 484 8.348 8.124 0.224 1
1 1856 . 5 2 2 B 28 28 MET HA H 484 4.175 4.238 -0.063 1
1 1863 . 5 2 2 B 28 28 MET C C 484 173.796 175.902 -2.106 1
1 1864 . 5 2 2 B 28 28 MET CA C 484 53.324 56.919 -3.595 1
1 1865 . 5 2 2 B 28 28 MET CB C 484 29.849 31.212 -1.363 1
1 1868 . 5 2 2 B 28 28 MET N N 484 120.436 117.989 2.447 1
1 1869 . 5 2 2 B 29 29 SER H H 485 8.125 7.810 0.315 1
1 1870 . 5 2 2 B 29 29 SER HA H 485 4.338 4.214 0.124 1
1 1873 . 5 2 2 B 29 29 SER C C 485 171.585 174.992 -3.407 1
1 1874 . 5 2 2 B 29 29 SER CA C 485 56.067 61.883 -5.816 1
1 1875 . 5 2 2 B 29 29 SER CB C 485 60.603 63.366 -2.763 1
1 1876 . 5 2 2 B 29 29 SER N N 485 115.589 113.543 2.046 1
1 1877 . 5 2 2 B 30 30 LYS H H 486 7.986 7.537 0.449 1
1 1878 . 5 2 2 B 30 30 LYS HA H 486 4.220 4.377 -0.157 1
1 1883 . 5 2 2 B 30 30 LYS C C 486 173.803 175.320 -1.517 1
1 1884 . 5 2 2 B 30 30 LYS CA C 486 53.958 56.168 -2.210 1
1 1885 . 5 2 2 B 30 30 LYS CB C 486 30.005 32.865 -2.860 1
1 1889 . 5 2 2 B 30 30 LYS N N 486 122.255 119.710 2.545 1
1 1890 . 5 2 2 B 31 31 SER H H 487 7.972 9.020 -1.048 1
1 1891 . 5 2 2 B 31 31 SER HA H 487 3.676 4.563 -0.887 1
1 1894 . 5 2 2 B 31 31 SER C C 487 171.460 174.819 -3.359 1
1 1895 . 5 2 2 B 31 31 SER CA C 487 55.826 59.704 -3.878 1
1 1896 . 5 2 2 B 31 31 SER CB C 487 61.064 65.076 -4.012 1
1 1897 . 5 2 2 B 31 31 SER N N 487 114.856 117.691 -2.835 1
1 1898 . 5 2 2 B 32 32 LEU H H 488 8.017 7.821 0.196 1
1 1899 . 5 2 2 B 32 32 LEU HA H 488 4.300 4.469 -0.169 1
1 1909 . 5 2 2 B 32 32 LEU C C 488 174.074 177.731 -3.657 1
1 1910 . 5 2 2 B 32 32 LEU CA C 488 53.057 55.246 -2.189 1
1 1911 . 5 2 2 B 32 32 LEU CB C 488 39.082 43.977 -4.895 1
1 1914 . 5 2 2 B 32 32 LEU N N 488 123.172 115.812 7.360 1
1 1915 . 5 2 2 B 33 33 TRP H H 489 7.636 8.231 -0.595 1
1 1916 . 5 2 2 B 33 33 TRP HA H 489 4.124 4.235 -0.111 1
1 1923 . 5 2 2 B 33 33 TRP C C 489 172.511 178.776 -6.265 1
1 1924 . 5 2 2 B 33 33 TRP CA C 489 53.958 60.082 -6.124 1
1 1925 . 5 2 2 B 33 33 TRP CB C 489 26.283 28.481 -2.198 1
1 1927 . 5 2 2 B 33 33 TRP N N 489 117.409 120.291 -2.882 1
1 1929 . 5 2 2 B 34 34 PHE H H 490 7.377 8.345 -0.968 1
1 1930 . 5 2 2 B 34 34 PHE HA H 490 4.325 4.245 0.080 1
1 1937 . 5 2 2 B 34 34 PHE C C 490 172.418 177.368 -4.950 1
1 1938 . 5 2 2 B 34 34 PHE CA C 490 55.014 61.600 -6.586 1
1 1939 . 5 2 2 B 34 34 PHE CB C 490 36.680 39.178 -2.498 1
1 1942 . 5 2 2 B 34 34 PHE N N 490 119.308 120.918 -1.610 1
1 1943 . 5 2 2 B 35 35 LYS H H 491 7.864 7.926 -0.062 1
1 1944 . 5 2 2 B 35 35 LYS HA H 491 4.195 3.979 0.216 1
1 1950 . 5 2 2 B 35 35 LYS C C 491 172.483 178.460 -5.977 1
1 1951 . 5 2 2 B 35 35 LYS CA C 491 53.521 59.276 -5.755 1
1 1952 . 5 2 2 B 35 35 LYS CB C 491 30.222 32.419 -2.197 1
1 1956 . 5 2 2 B 35 35 LYS N N 491 123.484 116.920 6.564 1
1 1575 . 6 2 2 B 2 2 SER H H 458 8.193 8.688 -0.495 1
1 1577 . 6 2 2 B 2 2 SER C C 458 172.550 174.481 -1.931 1
1 1578 . 6 2 2 B 2 2 SER CA C 458 55.709 62.067 -6.358 1
1 1579 . 6 2 2 B 2 2 SER CB C 458 61.137 63.228 -2.091 1
1 1580 . 6 2 2 B 2 2 SER N N 458 120.637 119.255 1.382 1
1 1581 . 6 2 2 B 3 3 ARG H H 459 8.654 7.614 1.040 1
1 1582 . 6 2 2 B 3 3 ARG HA H 459 3.838 4.588 -0.750 1
1 1584 . 6 2 2 B 3 3 ARG C C 459 174.192 176.891 -2.699 1
1 1585 . 6 2 2 B 3 3 ARG CA C 459 55.993 54.925 1.068 1
1 1586 . 6 2 2 B 3 3 ARG CB C 459 27.411 32.080 -4.669 1
1 1588 . 6 2 2 B 3 3 ARG N N 459 125.365 120.967 4.398 1
1 1589 . 6 2 2 B 4 4 ALA H H 460 8.193 8.933 -0.740 1
1 1590 . 6 2 2 B 4 4 ALA HA H 460 4.164 3.911 0.253 1
1 1594 . 6 2 2 B 4 4 ALA C C 460 176.557 179.446 -2.889 1
1 1595 . 6 2 2 B 4 4 ALA CA C 460 52.358 54.952 -2.594 1
1 1596 . 6 2 2 B 4 4 ALA CB C 460 15.958 18.202 -2.244 1
1 1597 . 6 2 2 B 4 4 ALA N N 460 120.862 127.685 -6.823 1
1 1598 . 6 2 2 B 5 5 LYS H H 461 7.900 8.145 -0.245 1
1 1599 . 6 2 2 B 5 5 LYS HA H 461 4.185 4.068 0.117 1
1 1602 . 6 2 2 B 5 5 LYS C C 461 175.175 178.882 -3.707 1
1 1603 . 6 2 2 B 5 5 LYS CA C 461 56.959 59.989 -3.030 1
1 1604 . 6 2 2 B 5 5 LYS CB C 461 28.819 32.486 -3.667 1
1 1606 . 6 2 2 B 5 5 LYS N N 461 118.064 118.973 -0.909 1
1 1607 . 6 2 2 B 6 6 ALA H H 462 7.778 8.029 -0.251 1
1 1608 . 6 2 2 B 6 6 ALA HA H 462 4.060 4.086 -0.026 1
1 1612 . 6 2 2 B 6 6 ALA C C 462 178.002 178.998 -0.996 1
1 1613 . 6 2 2 B 6 6 ALA CA C 462 52.150 55.391 -3.241 1
1 1614 . 6 2 2 B 6 6 ALA CB C 462 14.865 18.115 -3.250 1
1 1615 . 6 2 2 B 6 6 ALA N N 462 120.253 120.583 -0.330 1
1 1616 . 6 2 2 B 7 7 ASN H H 463 8.372 8.205 0.167 1
1 1617 . 6 2 2 B 7 7 ASN HA H 463 4.459 4.485 -0.026 1
1 1620 . 6 2 2 B 7 7 ASN C C 463 175.009 177.492 -2.483 1
1 1621 . 6 2 2 B 7 7 ASN CA C 463 53.033 56.282 -3.249 1
1 1622 . 6 2 2 B 7 7 ASN CB C 463 35.500 38.790 -3.290 1
1 1623 . 6 2 2 B 7 7 ASN N N 463 118.243 116.514 1.729 1
1 1624 . 6 2 2 B 8 8 TRP H H 464 8.533 8.663 -0.130 1
1 1625 . 6 2 2 B 8 8 TRP HA H 464 4.203 4.079 0.124 1
1 1632 . 6 2 2 B 8 8 TRP C C 464 175.578 178.121 -2.543 1
1 1633 . 6 2 2 B 8 8 TRP CA C 464 58.190 61.163 -2.973 1
1 1634 . 6 2 2 B 8 8 TRP CB C 464 26.538 29.428 -2.890 1
1 1636 . 6 2 2 B 8 8 TRP N N 464 121.805 121.748 0.057 1
1 1638 . 6 2 2 B 9 9 LEU H H 465 8.264 8.577 -0.313 1
1 1639 . 6 2 2 B 9 9 LEU HA H 465 4.172 3.757 0.415 1
1 1649 . 6 2 2 B 9 9 LEU C C 465 176.568 179.159 -2.591 1
1 1650 . 6 2 2 B 9 9 LEU CA C 465 55.499 58.251 -2.752 1
1 1651 . 6 2 2 B 9 9 LEU CB C 465 38.641 41.709 -3.068 1
1 1654 . 6 2 2 B 9 9 LEU N N 465 118.722 119.853 -1.131 1
1 1655 . 6 2 2 B 10 10 ARG H H 466 8.264 8.078 0.186 1
1 1656 . 6 2 2 B 10 10 ARG HA H 466 4.128 4.134 -0.006 1
1 1660 . 6 2 2 B 10 10 ARG C C 466 175.900 178.934 -3.034 1
1 1661 . 6 2 2 B 10 10 ARG CA C 466 56.888 58.999 -2.111 1
1 1662 . 6 2 2 B 10 10 ARG CB C 466 27.368 29.758 -2.390 1
1 1664 . 6 2 2 B 10 10 ARG N N 466 120.684 118.077 2.607 1
1 1665 . 6 2 2 B 11 11 ALA H H 467 8.067 8.153 -0.086 1
1 1666 . 6 2 2 B 11 11 ALA HA H 467 3.978 4.123 -0.145 1
1 1670 . 6 2 2 B 11 11 ALA C C 467 175.888 180.586 -4.698 1
1 1671 . 6 2 2 B 11 11 ALA CA C 467 52.558 55.203 -2.645 1
1 1672 . 6 2 2 B 11 11 ALA CB C 467 16.041 19.010 -2.969 1
1 1673 . 6 2 2 B 11 11 ALA N N 467 121.482 122.178 -0.696 1
1 1674 . 6 2 2 B 12 12 PHE H H 468 9.052 7.984 1.068 1
1 1675 . 6 2 2 B 12 12 PHE HA H 468 4.350 4.396 -0.046 1
1 1682 . 6 2 2 B 12 12 PHE C C 468 173.951 178.319 -4.368 1
1 1683 . 6 2 2 B 12 12 PHE CA C 468 58.326 61.495 -3.169 1
1 1684 . 6 2 2 B 12 12 PHE CB C 468 37.668 38.098 -0.430 1
1 1687 . 6 2 2 B 12 12 PHE N N 468 117.615 116.353 1.262 1
1 1688 . 6 2 2 B 13 13 ASN H H 469 8.602 8.429 0.173 1
1 1689 . 6 2 2 B 13 13 ASN HA H 469 4.166 4.337 -0.171 1
1 1692 . 6 2 2 B 13 13 ASN C C 469 174.785 177.562 -2.777 1
1 1693 . 6 2 2 B 13 13 ASN CA C 469 53.709 56.726 -3.017 1
1 1694 . 6 2 2 B 13 13 ASN CB C 469 35.325 39.002 -3.677 1
1 1695 . 6 2 2 B 13 13 ASN N N 469 116.425 118.548 -2.123 1
1 1696 . 6 2 2 B 14 14 LYS H H 470 8.076 8.195 -0.119 1
1 1697 . 6 2 2 B 14 14 LYS HA H 470 4.045 4.108 -0.063 1
1 1705 . 6 2 2 B 14 14 LYS C C 470 176.194 179.496 -3.302 1
1 1706 . 6 2 2 B 14 14 LYS CA C 470 57.174 59.621 -2.447 1
1 1707 . 6 2 2 B 14 14 LYS CB C 470 30.526 32.752 -2.226 1
1 1710 . 6 2 2 B 14 14 LYS N N 470 119.958 119.440 0.518 1
1 1711 . 6 2 2 B 15 15 VAL H H 471 8.410 7.786 0.624 1
1 1712 . 6 2 2 B 15 15 VAL HA H 471 3.532 3.528 0.004 1
1 1720 . 6 2 2 B 15 15 VAL C C 471 174.970 177.889 -2.919 1
1 1721 . 6 2 2 B 15 15 VAL CA C 471 64.190 66.697 -2.507 1
1 1722 . 6 2 2 B 15 15 VAL CB C 471 28.483 31.456 -2.973 1
1 1725 . 6 2 2 B 15 15 VAL N N 471 121.488 119.748 1.740 1
1 1726 . 6 2 2 B 16 16 ARG H H 472 8.639 8.399 0.240 1
1 1727 . 6 2 2 B 16 16 ARG HA H 472 3.763 3.909 -0.146 1
1 1733 . 6 2 2 B 16 16 ARG C C 472 175.887 178.974 -3.087 1
1 1734 . 6 2 2 B 16 16 ARG CA C 472 56.805 60.174 -3.369 1
1 1735 . 6 2 2 B 16 16 ARG CB C 472 26.506 29.895 -3.389 1
1 1738 . 6 2 2 B 16 16 ARG N N 472 119.209 119.501 -0.292 1
1 1739 . 6 2 2 B 17 17 MET H H 473 7.701 8.203 -0.502 1
1 1740 . 6 2 2 B 17 17 MET HA H 473 4.105 4.111 -0.006 1
1 1747 . 6 2 2 B 17 17 MET C C 473 175.604 178.444 -2.840 1
1 1748 . 6 2 2 B 17 17 MET CA C 473 55.673 59.647 -3.974 1
1 1749 . 6 2 2 B 17 17 MET CB C 473 29.324 32.638 -3.314 1
1 1751 . 6 2 2 B 17 17 MET N N 473 117.427 119.370 -1.943 1
1 1752 . 6 2 2 B 18 18 GLN H H 474 7.733 8.161 -0.428 1
1 1753 . 6 2 2 B 18 18 GLN HA H 474 4.049 4.054 -0.005 1
1 1758 . 6 2 2 B 18 18 GLN C C 474 175.931 178.298 -2.367 1
1 1759 . 6 2 2 B 18 18 GLN CA C 474 55.976 58.969 -2.993 1
1 1760 . 6 2 2 B 18 18 GLN CB C 474 24.407 28.903 -4.496 1
1 1762 . 6 2 2 B 18 18 GLN N N 474 119.752 120.267 -0.515 1
1 1763 . 6 2 2 B 19 19 LEU H H 475 8.151 8.182 -0.031 1
1 1764 . 6 2 2 B 19 19 LEU HA H 475 4.013 3.947 0.066 1
1 1774 . 6 2 2 B 19 19 LEU C C 475 176.150 179.328 -3.178 1
1 1775 . 6 2 2 B 19 19 LEU CA C 475 54.386 57.951 -3.565 1
1 1776 . 6 2 2 B 19 19 LEU CB C 475 39.047 41.113 -2.066 1
1 1780 . 6 2 2 B 19 19 LEU N N 475 120.063 119.762 0.301 1
1 1781 . 6 2 2 B 20 20 GLN H H 476 7.911 8.182 -0.271 1
1 1782 . 6 2 2 B 20 20 GLN HA H 476 3.980 4.043 -0.063 1
1 1787 . 6 2 2 B 20 20 GLN C C 476 175.284 178.881 -3.597 1
1 1788 . 6 2 2 B 20 20 GLN CA C 476 55.365 59.099 -3.734 1
1 1789 . 6 2 2 B 20 20 GLN CB C 476 25.474 28.363 -2.889 1
1 1791 . 6 2 2 B 20 20 GLN N N 476 118.054 118.214 -0.160 1
1 1792 . 6 2 2 B 21 21 GLU H H 477 7.975 8.615 -0.640 1
1 1793 . 6 2 2 B 21 21 GLU HA H 477 4.016 4.007 0.009 1
1 1797 . 6 2 2 B 21 21 GLU C C 477 174.854 179.001 -4.147 1
1 1798 . 6 2 2 B 21 21 GLU CA C 477 55.490 59.230 -3.740 1
1 1799 . 6 2 2 B 21 21 GLU CB C 477 26.666 29.063 -2.397 1
1 1801 . 6 2 2 B 21 21 GLU N N 477 119.803 120.812 -1.009 1
1 1802 . 6 2 2 B 22 22 ALA H H 478 7.726 8.443 -0.717 1
1 1803 . 6 2 2 B 22 22 ALA HA H 478 4.190 4.009 0.181 1
1 1807 . 6 2 2 B 22 22 ALA C C 478 175.491 179.790 -4.299 1
1 1808 . 6 2 2 B 22 22 ALA CA C 478 50.517 54.801 -4.284 1
1 1809 . 6 2 2 B 22 22 ALA CB C 478 15.961 18.528 -2.567 1
1 1810 . 6 2 2 B 22 22 ALA N N 478 121.648 122.423 -0.775 1
1 1811 . 6 2 2 B 23 23 ARG H H 479 7.645 8.308 -0.663 1
1 1812 . 6 2 2 B 23 23 ARG HA H 479 4.211 4.077 0.134 1
1 1817 . 6 2 2 B 23 23 ARG C C 479 174.086 177.973 -3.887 1
1 1818 . 6 2 2 B 23 23 ARG CA C 479 53.836 59.167 -5.331 1
1 1819 . 6 2 2 B 23 23 ARG CB C 479 27.401 30.019 -2.618 1
1 1822 . 6 2 2 B 23 23 ARG N N 479 117.484 116.610 0.874 1
1 1823 . 6 2 2 B 24 24 GLY H H 480 7.961 8.016 -0.055 1
1 1824 . 6 2 2 B 24 24 GLY HA2 H 480 3.909 3.853 0.056 1
1 1825 . 6 2 2 B 24 24 GLY HA3 H 480 3.909 3.855 0.054 1
1 1826 . 6 2 2 B 24 24 GLY C C 480 171.195 174.867 -3.672 1
1 1827 . 6 2 2 B 24 24 GLY CA C 480 42.457 45.826 -3.369 1
1 1828 . 6 2 2 B 24 24 GLY N N 480 107.622 106.987 0.635 1
1 1829 . 6 2 2 B 25 25 GLU H H 481 8.163 8.981 -0.818 1
1 1830 . 6 2 2 B 25 25 GLU HA H 481 4.269 4.143 0.126 1
1 1834 . 6 2 2 B 25 25 GLU C C 481 174.077 176.767 -2.690 1
1 1835 . 6 2 2 B 25 25 GLU CA C 481 53.780 57.719 -3.939 1
1 1836 . 6 2 2 B 25 25 GLU CB C 481 27.272 30.337 -3.065 1
1 1838 . 6 2 2 B 25 25 GLU N N 481 120.497 124.115 -3.618 1
1 1839 . 6 2 2 B 26 26 GLY H H 482 8.350 7.492 0.858 1
1 1840 . 6 2 2 B 26 26 GLY HA2 H 482 3.902 4.066 -0.164 1
1 1841 . 6 2 2 B 26 26 GLY HA3 H 482 3.902 4.073 -0.171 1
1 1842 . 6 2 2 B 26 26 GLY C C 482 171.213 175.038 -3.825 1
1 1843 . 6 2 2 B 26 26 GLY CA C 482 42.485 44.040 -1.555 1
1 1844 . 6 2 2 B 26 26 GLY N N 482 108.850 106.333 2.517 1
1 1845 . 6 2 2 B 27 27 GLU H H 483 8.142 8.875 -0.733 1
1 1846 . 6 2 2 B 27 27 GLU HA H 483 4.132 3.939 0.193 1
1 1850 . 6 2 2 B 27 27 GLU C C 483 174.078 178.668 -4.590 1
1 1851 . 6 2 2 B 27 27 GLU CA C 483 54.039 59.367 -5.328 1
1 1852 . 6 2 2 B 27 27 GLU CB C 483 27.066 29.442 -2.376 1
1 1854 . 6 2 2 B 27 27 GLU N N 483 120.369 121.519 -1.150 1
1 1855 . 6 2 2 B 28 28 MET H H 484 8.348 8.087 0.261 1
1 1856 . 6 2 2 B 28 28 MET HA H 484 4.175 4.150 0.025 1
1 1863 . 6 2 2 B 28 28 MET C C 484 173.796 178.688 -4.892 1
1 1864 . 6 2 2 B 28 28 MET CA C 484 53.324 58.640 -5.316 1
1 1865 . 6 2 2 B 28 28 MET CB C 484 29.849 32.726 -2.877 1
1 1868 . 6 2 2 B 28 28 MET N N 484 120.436 119.822 0.614 1
1 1869 . 6 2 2 B 29 29 SER H H 485 8.125 7.789 0.336 1
1 1870 . 6 2 2 B 29 29 SER HA H 485 4.338 4.314 0.024 1
1 1873 . 6 2 2 B 29 29 SER C C 485 171.585 175.250 -3.665 1
1 1874 . 6 2 2 B 29 29 SER CA C 485 56.067 61.353 -5.286 1
1 1875 . 6 2 2 B 29 29 SER CB C 485 60.603 63.090 -2.487 1
1 1876 . 6 2 2 B 29 29 SER N N 485 115.589 116.347 -0.758 1
1 1877 . 6 2 2 B 30 30 LYS H H 486 7.986 7.602 0.384 1
1 1878 . 6 2 2 B 30 30 LYS HA H 486 4.220 4.605 -0.385 1
1 1883 . 6 2 2 B 30 30 LYS C C 486 173.803 175.649 -1.846 1
1 1884 . 6 2 2 B 30 30 LYS CA C 486 53.958 54.846 -0.888 1
1 1885 . 6 2 2 B 30 30 LYS CB C 486 30.005 32.163 -2.158 1
1 1889 . 6 2 2 B 30 30 LYS N N 486 122.255 116.902 5.353 1
1 1890 . 6 2 2 B 31 31 SER H H 487 7.972 8.836 -0.864 1
1 1891 . 6 2 2 B 31 31 SER HA H 487 3.676 4.490 -0.814 1
1 1894 . 6 2 2 B 31 31 SER C C 487 171.460 174.211 -2.751 1
1 1895 . 6 2 2 B 31 31 SER CA C 487 55.826 57.454 -1.628 1
1 1896 . 6 2 2 B 31 31 SER CB C 487 61.064 64.381 -3.317 1
1 1897 . 6 2 2 B 31 31 SER N N 487 114.856 119.582 -4.726 1
1 1898 . 6 2 2 B 32 32 LEU H H 488 8.017 8.265 -0.248 1
1 1899 . 6 2 2 B 32 32 LEU HA H 488 4.300 4.468 -0.168 1
1 1909 . 6 2 2 B 32 32 LEU C C 488 174.074 176.728 -2.654 1
1 1910 . 6 2 2 B 32 32 LEU CA C 488 53.057 54.527 -1.470 1
1 1911 . 6 2 2 B 32 32 LEU CB C 488 39.082 43.431 -4.349 1
1 1914 . 6 2 2 B 32 32 LEU N N 488 123.172 121.350 1.822 1
1 1915 . 6 2 2 B 33 33 TRP H H 489 7.636 8.741 -1.105 1
1 1916 . 6 2 2 B 33 33 TRP HA H 489 4.124 4.253 -0.129 1
1 1923 . 6 2 2 B 33 33 TRP C C 489 172.511 176.838 -4.327 1
1 1924 . 6 2 2 B 33 33 TRP CA C 489 53.958 60.473 -6.515 1
1 1925 . 6 2 2 B 33 33 TRP CB C 489 26.283 27.332 -1.049 1
1 1927 . 6 2 2 B 33 33 TRP N N 489 117.409 117.610 -0.201 1
1 1929 . 6 2 2 B 34 34 PHE H H 490 7.377 8.816 -1.439 1
1 1930 . 6 2 2 B 34 34 PHE HA H 490 4.325 4.171 0.154 1
1 1937 . 6 2 2 B 34 34 PHE C C 490 172.418 177.659 -5.241 1
1 1938 . 6 2 2 B 34 34 PHE CA C 490 55.014 61.396 -6.382 1
1 1939 . 6 2 2 B 34 34 PHE CB C 490 36.680 39.328 -2.648 1
1 1942 . 6 2 2 B 34 34 PHE N N 490 119.308 120.026 -0.718 1
1 1943 . 6 2 2 B 35 35 LYS H H 491 7.864 8.637 -0.773 1
1 1944 . 6 2 2 B 35 35 LYS HA H 491 4.195 4.132 0.063 1
1 1950 . 6 2 2 B 35 35 LYS C C 491 172.483 177.404 -4.921 1
1 1951 . 6 2 2 B 35 35 LYS CA C 491 53.521 58.295 -4.774 1
1 1952 . 6 2 2 B 35 35 LYS CB C 491 30.222 31.745 -1.523 1
1 1956 . 6 2 2 B 35 35 LYS N N 491 123.484 117.374 6.110 1
1 1575 . 7 2 2 B 2 2 SER H H 458 8.193 8.875 -0.682 1
1 1577 . 7 2 2 B 2 2 SER C C 458 172.550 174.714 -2.164 1
1 1578 . 7 2 2 B 2 2 SER CA C 458 55.709 61.789 -6.080 1
1 1579 . 7 2 2 B 2 2 SER CB C 458 61.137 63.050 -1.913 1
1 1580 . 7 2 2 B 2 2 SER N N 458 120.637 118.175 2.462 1
1 1581 . 7 2 2 B 3 3 ARG H H 459 8.654 7.769 0.885 1
1 1582 . 7 2 2 B 3 3 ARG HA H 459 3.838 4.582 -0.744 1
1 1584 . 7 2 2 B 3 3 ARG C C 459 174.192 176.680 -2.488 1
1 1585 . 7 2 2 B 3 3 ARG CA C 459 55.993 57.457 -1.464 1
1 1586 . 7 2 2 B 3 3 ARG CB C 459 27.411 31.443 -4.032 1
1 1588 . 7 2 2 B 3 3 ARG N N 459 125.365 117.887 7.478 1
1 1589 . 7 2 2 B 4 4 ALA H H 460 8.193 8.401 -0.208 1
1 1590 . 7 2 2 B 4 4 ALA HA H 460 4.164 4.327 -0.163 1
1 1594 . 7 2 2 B 4 4 ALA C C 460 176.557 179.022 -2.465 1
1 1595 . 7 2 2 B 4 4 ALA CA C 460 52.358 53.929 -1.571 1
1 1596 . 7 2 2 B 4 4 ALA CB C 460 15.958 19.283 -3.325 1
1 1597 . 7 2 2 B 4 4 ALA N N 460 120.862 122.093 -1.231 1
1 1598 . 7 2 2 B 5 5 LYS H H 461 7.900 8.285 -0.385 1
1 1599 . 7 2 2 B 5 5 LYS HA H 461 4.185 4.032 0.153 1
1 1602 . 7 2 2 B 5 5 LYS C C 461 175.175 178.667 -3.492 1
1 1603 . 7 2 2 B 5 5 LYS CA C 461 56.959 59.843 -2.884 1
1 1604 . 7 2 2 B 5 5 LYS CB C 461 28.819 32.515 -3.696 1
1 1606 . 7 2 2 B 5 5 LYS N N 461 118.064 119.050 -0.986 1
1 1607 . 7 2 2 B 6 6 ALA H H 462 7.778 8.100 -0.322 1
1 1608 . 7 2 2 B 6 6 ALA HA H 462 4.060 4.093 -0.033 1
1 1612 . 7 2 2 B 6 6 ALA C C 462 178.002 179.701 -1.699 1
1 1613 . 7 2 2 B 6 6 ALA CA C 462 52.150 55.202 -3.052 1
1 1614 . 7 2 2 B 6 6 ALA CB C 462 14.865 18.068 -3.203 1
1 1615 . 7 2 2 B 6 6 ALA N N 462 120.253 120.479 -0.226 1
1 1616 . 7 2 2 B 7 7 ASN H H 463 8.372 8.177 0.195 1
1 1617 . 7 2 2 B 7 7 ASN HA H 463 4.459 4.431 0.028 1
1 1620 . 7 2 2 B 7 7 ASN C C 463 175.009 177.950 -2.941 1
1 1621 . 7 2 2 B 7 7 ASN CA C 463 53.033 56.576 -3.543 1
1 1622 . 7 2 2 B 7 7 ASN CB C 463 35.500 38.456 -2.956 1
1 1623 . 7 2 2 B 7 7 ASN N N 463 118.243 115.620 2.623 1
1 1624 . 7 2 2 B 8 8 TRP H H 464 8.533 8.214 0.319 1
1 1625 . 7 2 2 B 8 8 TRP HA H 464 4.203 4.074 0.129 1
1 1632 . 7 2 2 B 8 8 TRP C C 464 175.578 178.273 -2.695 1
1 1633 . 7 2 2 B 8 8 TRP CA C 464 58.190 61.236 -3.046 1
1 1634 . 7 2 2 B 8 8 TRP CB C 464 26.538 29.457 -2.919 1
1 1636 . 7 2 2 B 8 8 TRP N N 464 121.805 122.460 -0.655 1
1 1638 . 7 2 2 B 9 9 LEU H H 465 8.264 8.420 -0.156 1
1 1639 . 7 2 2 B 9 9 LEU HA H 465 4.172 3.743 0.429 1
1 1649 . 7 2 2 B 9 9 LEU C C 465 176.568 178.826 -2.258 1
1 1650 . 7 2 2 B 9 9 LEU CA C 465 55.499 58.172 -2.673 1
1 1651 . 7 2 2 B 9 9 LEU CB C 465 38.641 41.640 -2.999 1
1 1654 . 7 2 2 B 9 9 LEU N N 465 118.722 120.085 -1.363 1
1 1655 . 7 2 2 B 10 10 ARG H H 466 8.264 8.390 -0.126 1
1 1656 . 7 2 2 B 10 10 ARG HA H 466 4.128 4.097 0.031 1
1 1660 . 7 2 2 B 10 10 ARG C C 466 175.900 179.134 -3.234 1
1 1661 . 7 2 2 B 10 10 ARG CA C 466 56.888 59.168 -2.280 1
1 1662 . 7 2 2 B 10 10 ARG CB C 466 27.368 29.758 -2.390 1
1 1664 . 7 2 2 B 10 10 ARG N N 466 120.684 117.807 2.877 1
1 1665 . 7 2 2 B 11 11 ALA H H 467 8.067 8.023 0.044 1
1 1666 . 7 2 2 B 11 11 ALA HA H 467 3.978 4.131 -0.153 1
1 1670 . 7 2 2 B 11 11 ALA C C 467 175.888 180.550 -4.662 1
1 1671 . 7 2 2 B 11 11 ALA CA C 467 52.558 55.227 -2.669 1
1 1672 . 7 2 2 B 11 11 ALA CB C 467 16.041 18.930 -2.889 1
1 1673 . 7 2 2 B 11 11 ALA N N 467 121.482 122.114 -0.632 1
1 1674 . 7 2 2 B 12 12 PHE H H 468 9.052 8.151 0.901 1
1 1675 . 7 2 2 B 12 12 PHE HA H 468 4.350 4.364 -0.014 1
1 1682 . 7 2 2 B 12 12 PHE C C 468 173.951 178.342 -4.391 1
1 1683 . 7 2 2 B 12 12 PHE CA C 468 58.326 61.405 -3.079 1
1 1684 . 7 2 2 B 12 12 PHE CB C 468 37.668 37.916 -0.248 1
1 1687 . 7 2 2 B 12 12 PHE N N 468 117.615 116.297 1.318 1
1 1688 . 7 2 2 B 13 13 ASN H H 469 8.602 8.571 0.031 1
1 1689 . 7 2 2 B 13 13 ASN HA H 469 4.166 4.349 -0.183 1
1 1692 . 7 2 2 B 13 13 ASN C C 469 174.785 177.673 -2.888 1
1 1693 . 7 2 2 B 13 13 ASN CA C 469 53.709 56.722 -3.013 1
1 1694 . 7 2 2 B 13 13 ASN CB C 469 35.325 38.679 -3.354 1
1 1695 . 7 2 2 B 13 13 ASN N N 469 116.425 118.608 -2.183 1
1 1696 . 7 2 2 B 14 14 LYS H H 470 8.076 8.214 -0.138 1
1 1697 . 7 2 2 B 14 14 LYS HA H 470 4.045 4.099 -0.054 1
1 1705 . 7 2 2 B 14 14 LYS C C 470 176.194 179.480 -3.286 1
1 1706 . 7 2 2 B 14 14 LYS CA C 470 57.174 59.520 -2.346 1
1 1707 . 7 2 2 B 14 14 LYS CB C 470 30.526 32.480 -1.954 1
1 1710 . 7 2 2 B 14 14 LYS N N 470 119.958 119.639 0.319 1
1 1711 . 7 2 2 B 15 15 VAL H H 471 8.410 7.694 0.716 1
1 1712 . 7 2 2 B 15 15 VAL HA H 471 3.532 3.588 -0.056 1
1 1720 . 7 2 2 B 15 15 VAL C C 471 174.970 178.039 -3.069 1
1 1721 . 7 2 2 B 15 15 VAL CA C 471 64.190 66.521 -2.331 1
1 1722 . 7 2 2 B 15 15 VAL CB C 471 28.483 31.742 -3.259 1
1 1725 . 7 2 2 B 15 15 VAL N N 471 121.488 119.679 1.809 1
1 1726 . 7 2 2 B 16 16 ARG H H 472 8.639 8.562 0.077 1
1 1727 . 7 2 2 B 16 16 ARG HA H 472 3.763 3.904 -0.141 1
1 1733 . 7 2 2 B 16 16 ARG C C 472 175.887 178.630 -2.743 1
1 1734 . 7 2 2 B 16 16 ARG CA C 472 56.805 59.590 -2.785 1
1 1735 . 7 2 2 B 16 16 ARG CB C 472 26.506 29.938 -3.432 1
1 1738 . 7 2 2 B 16 16 ARG N N 472 119.209 120.242 -1.033 1
1 1739 . 7 2 2 B 17 17 MET H H 473 7.701 8.348 -0.647 1
1 1740 . 7 2 2 B 17 17 MET HA H 473 4.105 4.145 -0.040 1
1 1747 . 7 2 2 B 17 17 MET C C 473 175.604 177.993 -2.389 1
1 1748 . 7 2 2 B 17 17 MET CA C 473 55.673 59.341 -3.668 1
1 1749 . 7 2 2 B 17 17 MET CB C 473 29.324 32.451 -3.127 1
1 1751 . 7 2 2 B 17 17 MET N N 473 117.427 118.368 -0.941 1
1 1752 . 7 2 2 B 18 18 GLN H H 474 7.733 8.091 -0.358 1
1 1753 . 7 2 2 B 18 18 GLN HA H 474 4.049 4.071 -0.022 1
1 1758 . 7 2 2 B 18 18 GLN C C 474 175.931 177.827 -1.896 1
1 1759 . 7 2 2 B 18 18 GLN CA C 474 55.976 58.223 -2.247 1
1 1760 . 7 2 2 B 18 18 GLN CB C 474 24.407 27.380 -2.973 1
1 1762 . 7 2 2 B 18 18 GLN N N 474 119.752 117.872 1.880 1
1 1763 . 7 2 2 B 19 19 LEU H H 475 8.151 7.767 0.384 1
1 1764 . 7 2 2 B 19 19 LEU HA H 475 4.013 3.914 0.099 1
1 1774 . 7 2 2 B 19 19 LEU C C 475 176.150 179.538 -3.388 1
1 1775 . 7 2 2 B 19 19 LEU CA C 475 54.386 58.051 -3.665 1
1 1776 . 7 2 2 B 19 19 LEU CB C 475 39.047 41.564 -2.517 1
1 1780 . 7 2 2 B 19 19 LEU N N 475 120.063 121.614 -1.551 1
1 1781 . 7 2 2 B 20 20 GLN H H 476 7.911 8.023 -0.112 1
1 1782 . 7 2 2 B 20 20 GLN HA H 476 3.980 3.987 -0.007 1
1 1787 . 7 2 2 B 20 20 GLN C C 476 175.284 178.912 -3.628 1
1 1788 . 7 2 2 B 20 20 GLN CA C 476 55.365 59.321 -3.956 1
1 1789 . 7 2 2 B 20 20 GLN CB C 476 25.474 28.142 -2.668 1
1 1791 . 7 2 2 B 20 20 GLN N N 476 118.054 118.797 -0.743 1
1 1792 . 7 2 2 B 21 21 GLU H H 477 7.975 8.107 -0.132 1
1 1793 . 7 2 2 B 21 21 GLU HA H 477 4.016 3.990 0.026 1
1 1797 . 7 2 2 B 21 21 GLU C C 477 174.854 179.158 -4.304 1
1 1798 . 7 2 2 B 21 21 GLU CA C 477 55.490 59.215 -3.725 1
1 1799 . 7 2 2 B 21 21 GLU CB C 477 26.666 29.322 -2.656 1
1 1801 . 7 2 2 B 21 21 GLU N N 477 119.803 120.024 -0.221 1
1 1802 . 7 2 2 B 22 22 ALA H H 478 7.726 7.384 0.342 1
1 1803 . 7 2 2 B 22 22 ALA HA H 478 4.190 4.109 0.081 1
1 1807 . 7 2 2 B 22 22 ALA C C 478 175.491 178.103 -2.612 1
1 1808 . 7 2 2 B 22 22 ALA CA C 478 50.517 55.183 -4.666 1
1 1809 . 7 2 2 B 22 22 ALA CB C 478 15.961 18.380 -2.419 1
1 1810 . 7 2 2 B 22 22 ALA N N 478 121.648 121.109 0.539 1
1 1811 . 7 2 2 B 23 23 ARG H H 479 7.645 7.270 0.375 1
1 1812 . 7 2 2 B 23 23 ARG HA H 479 4.211 4.384 -0.173 1
1 1817 . 7 2 2 B 23 23 ARG C C 479 174.086 178.002 -3.916 1
1 1818 . 7 2 2 B 23 23 ARG CA C 479 53.836 55.394 -1.558 1
1 1819 . 7 2 2 B 23 23 ARG CB C 479 27.401 30.951 -3.550 1
1 1822 . 7 2 2 B 23 23 ARG N N 479 117.484 117.644 -0.160 1
1 1823 . 7 2 2 B 24 24 GLY H H 480 7.961 8.549 -0.588 1
1 1824 . 7 2 2 B 24 24 GLY HA2 H 480 3.909 3.833 0.076 1
1 1825 . 7 2 2 B 24 24 GLY HA3 H 480 3.909 3.835 0.074 1
1 1826 . 7 2 2 B 24 24 GLY C C 480 171.195 173.773 -2.578 1
1 1827 . 7 2 2 B 24 24 GLY CA C 480 42.457 47.693 -5.236 1
1 1828 . 7 2 2 B 24 24 GLY N N 480 107.622 111.011 -3.389 1
1 1829 . 7 2 2 B 25 25 GLU H H 481 8.163 7.668 0.495 1
1 1830 . 7 2 2 B 25 25 GLU HA H 481 4.269 4.849 -0.580 1
1 1834 . 7 2 2 B 25 25 GLU C C 481 174.077 175.890 -1.813 1
1 1835 . 7 2 2 B 25 25 GLU CA C 481 53.780 54.602 -0.822 1
1 1836 . 7 2 2 B 25 25 GLU CB C 481 27.272 32.637 -5.365 1
1 1838 . 7 2 2 B 25 25 GLU N N 481 120.497 115.667 4.830 1
1 1839 . 7 2 2 B 26 26 GLY H H 482 8.350 8.684 -0.334 1
1 1840 . 7 2 2 B 26 26 GLY HA2 H 482 3.902 4.066 -0.164 1
1 1841 . 7 2 2 B 26 26 GLY HA3 H 482 3.902 4.067 -0.165 1
1 1842 . 7 2 2 B 26 26 GLY C C 482 171.213 173.997 -2.784 1
1 1843 . 7 2 2 B 26 26 GLY CA C 482 42.485 44.295 -1.810 1
1 1844 . 7 2 2 B 26 26 GLY N N 482 108.850 107.407 1.443 1
1 1845 . 7 2 2 B 27 27 GLU H H 483 8.142 8.850 -0.708 1
1 1846 . 7 2 2 B 27 27 GLU HA H 483 4.132 4.039 0.093 1
1 1850 . 7 2 2 B 27 27 GLU C C 483 174.078 175.136 -1.058 1
1 1851 . 7 2 2 B 27 27 GLU CA C 483 54.039 58.508 -4.469 1
1 1852 . 7 2 2 B 27 27 GLU CB C 483 27.066 28.149 -1.083 1
1 1854 . 7 2 2 B 27 27 GLU N N 483 120.369 118.188 2.181 1
1 1855 . 7 2 2 B 28 28 MET H H 484 8.348 8.385 -0.037 1
1 1856 . 7 2 2 B 28 28 MET HA H 484 4.175 4.770 -0.595 1
1 1863 . 7 2 2 B 28 28 MET C C 484 173.796 177.423 -3.627 1
1 1864 . 7 2 2 B 28 28 MET CA C 484 53.324 54.127 -0.803 1
1 1865 . 7 2 2 B 28 28 MET CB C 484 29.849 33.701 -3.852 1
1 1868 . 7 2 2 B 28 28 MET N N 484 120.436 121.159 -0.723 1
1 1869 . 7 2 2 B 29 29 SER H H 485 8.125 8.778 -0.653 1
1 1870 . 7 2 2 B 29 29 SER HA H 485 4.338 4.163 0.175 1
1 1873 . 7 2 2 B 29 29 SER C C 485 171.585 174.926 -3.341 1
1 1874 . 7 2 2 B 29 29 SER CA C 485 56.067 61.759 -5.692 1
1 1875 . 7 2 2 B 29 29 SER CB C 485 60.603 62.912 -2.309 1
1 1876 . 7 2 2 B 29 29 SER N N 485 115.589 116.132 -0.543 1
1 1877 . 7 2 2 B 30 30 LYS H H 486 7.986 7.895 0.091 1
1 1878 . 7 2 2 B 30 30 LYS HA H 486 4.220 4.417 -0.197 1
1 1883 . 7 2 2 B 30 30 LYS C C 486 173.803 176.217 -2.414 1
1 1884 . 7 2 2 B 30 30 LYS CA C 486 53.958 55.477 -1.519 1
1 1885 . 7 2 2 B 30 30 LYS CB C 486 30.005 32.712 -2.707 1
1 1889 . 7 2 2 B 30 30 LYS N N 486 122.255 118.377 3.878 1
1 1890 . 7 2 2 B 31 31 SER H H 487 7.972 8.802 -0.830 1
1 1891 . 7 2 2 B 31 31 SER HA H 487 3.676 4.216 -0.540 1
1 1894 . 7 2 2 B 31 31 SER C C 487 171.460 174.005 -2.545 1
1 1895 . 7 2 2 B 31 31 SER CA C 487 55.826 60.910 -5.084 1
1 1896 . 7 2 2 B 31 31 SER CB C 487 61.064 63.775 -2.711 1
1 1897 . 7 2 2 B 31 31 SER N N 487 114.856 118.979 -4.123 1
1 1898 . 7 2 2 B 32 32 LEU H H 488 8.017 7.446 0.571 1
1 1899 . 7 2 2 B 32 32 LEU HA H 488 4.300 4.403 -0.103 1
1 1909 . 7 2 2 B 32 32 LEU C C 488 174.074 175.266 -1.192 1
1 1910 . 7 2 2 B 32 32 LEU CA C 488 53.057 54.081 -1.024 1
1 1911 . 7 2 2 B 32 32 LEU CB C 488 39.082 42.682 -3.600 1
1 1914 . 7 2 2 B 32 32 LEU N N 488 123.172 114.303 8.869 1
1 1915 . 7 2 2 B 33 33 TRP H H 489 7.636 8.660 -1.024 1
1 1916 . 7 2 2 B 33 33 TRP HA H 489 4.124 4.261 -0.137 1
1 1923 . 7 2 2 B 33 33 TRP C C 489 172.511 174.954 -2.443 1
1 1924 . 7 2 2 B 33 33 TRP CA C 489 53.958 58.391 -4.433 1
1 1925 . 7 2 2 B 33 33 TRP CB C 489 26.283 26.844 -0.561 1
1 1927 . 7 2 2 B 33 33 TRP N N 489 117.409 118.309 -0.900 1
1 1929 . 7 2 2 B 34 34 PHE H H 490 7.377 7.908 -0.531 1
1 1930 . 7 2 2 B 34 34 PHE HA H 490 4.325 4.729 -0.404 1
1 1937 . 7 2 2 B 34 34 PHE C C 490 172.418 175.290 -2.872 1
1 1938 . 7 2 2 B 34 34 PHE CA C 490 55.014 57.826 -2.812 1
1 1939 . 7 2 2 B 34 34 PHE CB C 490 36.680 39.065 -2.385 1
1 1942 . 7 2 2 B 34 34 PHE N N 490 119.308 118.801 0.507 1
1 1943 . 7 2 2 B 35 35 LYS H H 491 7.864 8.436 -0.572 1
1 1944 . 7 2 2 B 35 35 LYS HA H 491 4.195 4.013 0.182 1
1 1950 . 7 2 2 B 35 35 LYS C C 491 172.483 176.999 -4.516 1
1 1951 . 7 2 2 B 35 35 LYS CA C 491 53.521 57.379 -3.858 1
1 1952 . 7 2 2 B 35 35 LYS CB C 491 30.222 32.847 -2.625 1
1 1956 . 7 2 2 B 35 35 LYS N N 491 123.484 123.877 -0.393 1
1 1575 . 8 2 2 B 2 2 SER H H 458 8.193 9.116 -0.923 1
1 1577 . 8 2 2 B 2 2 SER C C 458 172.550 176.445 -3.895 1
1 1578 . 8 2 2 B 2 2 SER CA C 458 55.709 60.758 -5.049 1
1 1579 . 8 2 2 B 2 2 SER CB C 458 61.137 62.668 -1.531 1
1 1580 . 8 2 2 B 2 2 SER N N 458 120.637 117.820 2.817 1
1 1581 . 8 2 2 B 3 3 ARG H H 459 8.654 8.068 0.586 1
1 1582 . 8 2 2 B 3 3 ARG HA H 459 3.838 3.976 -0.138 1
1 1584 . 8 2 2 B 3 3 ARG C C 459 174.192 178.557 -4.365 1
1 1585 . 8 2 2 B 3 3 ARG CA C 459 55.993 59.584 -3.591 1
1 1586 . 8 2 2 B 3 3 ARG CB C 459 27.411 30.334 -2.923 1
1 1588 . 8 2 2 B 3 3 ARG N N 459 125.365 121.297 4.068 1
1 1589 . 8 2 2 B 4 4 ALA H H 460 8.193 7.849 0.344 1
1 1590 . 8 2 2 B 4 4 ALA HA H 460 4.164 4.319 -0.155 1
1 1594 . 8 2 2 B 4 4 ALA C C 460 176.557 179.121 -2.564 1
1 1595 . 8 2 2 B 4 4 ALA CA C 460 52.358 54.051 -1.693 1
1 1596 . 8 2 2 B 4 4 ALA CB C 460 15.958 19.317 -3.359 1
1 1597 . 8 2 2 B 4 4 ALA N N 460 120.862 120.228 0.634 1
1 1598 . 8 2 2 B 5 5 LYS H H 461 7.900 7.987 -0.087 1
1 1599 . 8 2 2 B 5 5 LYS HA H 461 4.185 4.023 0.162 1
1 1602 . 8 2 2 B 5 5 LYS C C 461 175.175 178.851 -3.676 1
1 1603 . 8 2 2 B 5 5 LYS CA C 461 56.959 59.928 -2.969 1
1 1604 . 8 2 2 B 5 5 LYS CB C 461 28.819 32.387 -3.568 1
1 1606 . 8 2 2 B 5 5 LYS N N 461 118.064 119.022 -0.958 1
1 1607 . 8 2 2 B 6 6 ALA H H 462 7.778 7.994 -0.216 1
1 1608 . 8 2 2 B 6 6 ALA HA H 462 4.060 4.068 -0.008 1
1 1612 . 8 2 2 B 6 6 ALA C C 462 178.002 179.724 -1.722 1
1 1613 . 8 2 2 B 6 6 ALA CA C 462 52.150 55.216 -3.066 1
1 1614 . 8 2 2 B 6 6 ALA CB C 462 14.865 18.152 -3.287 1
1 1615 . 8 2 2 B 6 6 ALA N N 462 120.253 120.554 -0.301 1
1 1616 . 8 2 2 B 7 7 ASN H H 463 8.372 7.681 0.691 1
1 1617 . 8 2 2 B 7 7 ASN HA H 463 4.459 4.431 0.028 1
1 1620 . 8 2 2 B 7 7 ASN C C 463 175.009 177.979 -2.970 1
1 1621 . 8 2 2 B 7 7 ASN CA C 463 53.033 56.578 -3.545 1
1 1622 . 8 2 2 B 7 7 ASN CB C 463 35.500 38.497 -2.997 1
1 1623 . 8 2 2 B 7 7 ASN N N 463 118.243 115.646 2.597 1
1 1624 . 8 2 2 B 8 8 TRP H H 464 8.533 8.285 0.248 1
1 1625 . 8 2 2 B 8 8 TRP HA H 464 4.203 4.157 0.046 1
1 1632 . 8 2 2 B 8 8 TRP C C 464 175.578 178.223 -2.645 1
1 1633 . 8 2 2 B 8 8 TRP CA C 464 58.190 61.160 -2.970 1
1 1634 . 8 2 2 B 8 8 TRP CB C 464 26.538 29.578 -3.040 1
1 1636 . 8 2 2 B 8 8 TRP N N 464 121.805 122.774 -0.969 1
1 1638 . 8 2 2 B 9 9 LEU H H 465 8.264 8.446 -0.182 1
1 1639 . 8 2 2 B 9 9 LEU HA H 465 4.172 3.755 0.417 1
1 1649 . 8 2 2 B 9 9 LEU C C 465 176.568 178.828 -2.260 1
1 1650 . 8 2 2 B 9 9 LEU CA C 465 55.499 58.169 -2.670 1
1 1651 . 8 2 2 B 9 9 LEU CB C 465 38.641 41.707 -3.066 1
1 1654 . 8 2 2 B 9 9 LEU N N 465 118.722 119.935 -1.213 1
1 1655 . 8 2 2 B 10 10 ARG H H 466 8.264 8.354 -0.090 1
1 1656 . 8 2 2 B 10 10 ARG HA H 466 4.128 4.086 0.042 1
1 1660 . 8 2 2 B 10 10 ARG C C 466 175.900 179.128 -3.228 1
1 1661 . 8 2 2 B 10 10 ARG CA C 466 56.888 59.051 -2.163 1
1 1662 . 8 2 2 B 10 10 ARG CB C 466 27.368 29.797 -2.429 1
1 1664 . 8 2 2 B 10 10 ARG N N 466 120.684 118.034 2.650 1
1 1665 . 8 2 2 B 11 11 ALA H H 467 8.067 7.915 0.152 1
1 1666 . 8 2 2 B 11 11 ALA HA H 467 3.978 4.130 -0.152 1
1 1670 . 8 2 2 B 11 11 ALA C C 467 175.888 180.657 -4.769 1
1 1671 . 8 2 2 B 11 11 ALA CA C 467 52.558 55.225 -2.667 1
1 1672 . 8 2 2 B 11 11 ALA CB C 467 16.041 18.856 -2.815 1
1 1673 . 8 2 2 B 11 11 ALA N N 467 121.482 122.320 -0.838 1
1 1674 . 8 2 2 B 12 12 PHE H H 468 9.052 8.195 0.857 1
1 1675 . 8 2 2 B 12 12 PHE HA H 468 4.350 4.419 -0.069 1
1 1682 . 8 2 2 B 12 12 PHE C C 468 173.951 178.233 -4.282 1
1 1683 . 8 2 2 B 12 12 PHE CA C 468 58.326 61.072 -2.746 1
1 1684 . 8 2 2 B 12 12 PHE CB C 468 37.668 37.958 -0.290 1
1 1687 . 8 2 2 B 12 12 PHE N N 468 117.615 116.329 1.286 1
1 1688 . 8 2 2 B 13 13 ASN H H 469 8.602 8.502 0.100 1
1 1689 . 8 2 2 B 13 13 ASN HA H 469 4.166 4.376 -0.210 1
1 1692 . 8 2 2 B 13 13 ASN C C 469 174.785 177.486 -2.701 1
1 1693 . 8 2 2 B 13 13 ASN CA C 469 53.709 56.623 -2.914 1
1 1694 . 8 2 2 B 13 13 ASN CB C 469 35.325 38.725 -3.400 1
1 1695 . 8 2 2 B 13 13 ASN N N 469 116.425 119.126 -2.701 1
1 1696 . 8 2 2 B 14 14 LYS H H 470 8.076 8.286 -0.210 1
1 1697 . 8 2 2 B 14 14 LYS HA H 470 4.045 4.068 -0.023 1
1 1705 . 8 2 2 B 14 14 LYS C C 470 176.194 179.475 -3.281 1
1 1706 . 8 2 2 B 14 14 LYS CA C 470 57.174 59.414 -2.240 1
1 1707 . 8 2 2 B 14 14 LYS CB C 470 30.526 32.812 -2.286 1
1 1710 . 8 2 2 B 14 14 LYS N N 470 119.958 119.279 0.679 1
1 1711 . 8 2 2 B 15 15 VAL H H 471 8.410 7.495 0.915 1
1 1712 . 8 2 2 B 15 15 VAL HA H 471 3.532 3.811 -0.279 1
1 1720 . 8 2 2 B 15 15 VAL C C 471 174.970 177.765 -2.795 1
1 1721 . 8 2 2 B 15 15 VAL CA C 471 64.190 65.586 -1.396 1
1 1722 . 8 2 2 B 15 15 VAL CB C 471 28.483 31.526 -3.043 1
1 1725 . 8 2 2 B 15 15 VAL N N 471 121.488 115.989 5.499 1
1 1726 . 8 2 2 B 16 16 ARG H H 472 8.639 8.130 0.509 1
1 1727 . 8 2 2 B 16 16 ARG HA H 472 3.763 3.902 -0.139 1
1 1733 . 8 2 2 B 16 16 ARG C C 472 175.887 178.664 -2.777 1
1 1734 . 8 2 2 B 16 16 ARG CA C 472 56.805 59.447 -2.642 1
1 1735 . 8 2 2 B 16 16 ARG CB C 472 26.506 30.135 -3.629 1
1 1738 . 8 2 2 B 16 16 ARG N N 472 119.209 122.105 -2.896 1
1 1739 . 8 2 2 B 17 17 MET H H 473 7.701 8.272 -0.571 1
1 1740 . 8 2 2 B 17 17 MET HA H 473 4.105 4.087 0.018 1
1 1747 . 8 2 2 B 17 17 MET C C 473 175.604 178.955 -3.351 1
1 1748 . 8 2 2 B 17 17 MET CA C 473 55.673 59.530 -3.857 1
1 1749 . 8 2 2 B 17 17 MET CB C 473 29.324 32.611 -3.287 1
1 1751 . 8 2 2 B 17 17 MET N N 473 117.427 118.325 -0.898 1
1 1752 . 8 2 2 B 18 18 GLN H H 474 7.733 7.900 -0.167 1
1 1753 . 8 2 2 B 18 18 GLN HA H 474 4.049 4.059 -0.010 1
1 1758 . 8 2 2 B 18 18 GLN C C 474 175.931 179.291 -3.360 1
1 1759 . 8 2 2 B 18 18 GLN CA C 474 55.976 58.676 -2.700 1
1 1760 . 8 2 2 B 18 18 GLN CB C 474 24.407 28.191 -3.784 1
1 1762 . 8 2 2 B 18 18 GLN N N 474 119.752 118.823 0.929 1
1 1763 . 8 2 2 B 19 19 LEU H H 475 8.151 8.171 -0.020 1
1 1764 . 8 2 2 B 19 19 LEU HA H 475 4.013 4.049 -0.036 1
1 1774 . 8 2 2 B 19 19 LEU C C 475 176.150 179.135 -2.985 1
1 1775 . 8 2 2 B 19 19 LEU CA C 475 54.386 57.142 -2.756 1
1 1776 . 8 2 2 B 19 19 LEU CB C 475 39.047 41.090 -2.043 1
1 1780 . 8 2 2 B 19 19 LEU N N 475 120.063 120.255 -0.192 1
1 1781 . 8 2 2 B 20 20 GLN H H 476 7.911 8.258 -0.347 1
1 1782 . 8 2 2 B 20 20 GLN HA H 476 3.980 3.918 0.062 1
1 1787 . 8 2 2 B 20 20 GLN C C 476 175.284 178.182 -2.898 1
1 1788 . 8 2 2 B 20 20 GLN CA C 476 55.365 59.239 -3.874 1
1 1789 . 8 2 2 B 20 20 GLN CB C 476 25.474 28.415 -2.941 1
1 1791 . 8 2 2 B 20 20 GLN N N 476 118.054 118.705 -0.651 1
1 1792 . 8 2 2 B 21 21 GLU H H 477 7.975 8.178 -0.203 1
1 1793 . 8 2 2 B 21 21 GLU HA H 477 4.016 4.087 -0.071 1
1 1797 . 8 2 2 B 21 21 GLU C C 477 174.854 178.909 -4.055 1
1 1798 . 8 2 2 B 21 21 GLU CA C 477 55.490 59.147 -3.657 1
1 1799 . 8 2 2 B 21 21 GLU CB C 477 26.666 29.269 -2.603 1
1 1801 . 8 2 2 B 21 21 GLU N N 477 119.803 119.563 0.240 1
1 1802 . 8 2 2 B 22 22 ALA H H 478 7.726 6.984 0.742 1
1 1803 . 8 2 2 B 22 22 ALA HA H 478 4.190 4.136 0.054 1
1 1807 . 8 2 2 B 22 22 ALA C C 478 175.491 178.106 -2.615 1
1 1808 . 8 2 2 B 22 22 ALA CA C 478 50.517 54.065 -3.548 1
1 1809 . 8 2 2 B 22 22 ALA CB C 478 15.961 18.344 -2.383 1
1 1810 . 8 2 2 B 22 22 ALA N N 478 121.648 120.664 0.984 1
1 1811 . 8 2 2 B 23 23 ARG H H 479 7.645 7.453 0.192 1
1 1812 . 8 2 2 B 23 23 ARG HA H 479 4.211 4.122 0.089 1
1 1817 . 8 2 2 B 23 23 ARG C C 479 174.086 176.606 -2.520 1
1 1818 . 8 2 2 B 23 23 ARG CA C 479 53.836 58.245 -4.409 1
1 1819 . 8 2 2 B 23 23 ARG CB C 479 27.401 30.468 -3.067 1
1 1822 . 8 2 2 B 23 23 ARG N N 479 117.484 118.386 -0.902 1
1 1823 . 8 2 2 B 24 24 GLY H H 480 7.961 8.430 -0.469 1
1 1824 . 8 2 2 B 24 24 GLY HA2 H 480 3.909 4.191 -0.282 1
1 1825 . 8 2 2 B 24 24 GLY HA3 H 480 3.909 4.192 -0.283 1
1 1826 . 8 2 2 B 24 24 GLY C C 480 171.195 172.127 -0.932 1
1 1827 . 8 2 2 B 24 24 GLY CA C 480 42.457 46.033 -3.576 1
1 1828 . 8 2 2 B 24 24 GLY N N 480 107.622 109.652 -2.030 1
1 1829 . 8 2 2 B 25 25 GLU H H 481 8.163 8.520 -0.357 1
1 1830 . 8 2 2 B 25 25 GLU HA H 481 4.269 4.924 -0.655 1
1 1834 . 8 2 2 B 25 25 GLU C C 481 174.077 175.775 -1.698 1
1 1835 . 8 2 2 B 25 25 GLU CA C 481 53.780 54.833 -1.053 1
1 1836 . 8 2 2 B 25 25 GLU CB C 481 27.272 32.411 -5.139 1
1 1838 . 8 2 2 B 25 25 GLU N N 481 120.497 124.529 -4.032 1
1 1839 . 8 2 2 B 26 26 GLY H H 482 8.350 8.349 0.001 1
1 1840 . 8 2 2 B 26 26 GLY HA2 H 482 3.902 4.199 -0.297 1
1 1841 . 8 2 2 B 26 26 GLY HA3 H 482 3.902 4.201 -0.299 1
1 1842 . 8 2 2 B 26 26 GLY C C 482 171.213 173.166 -1.953 1
1 1843 . 8 2 2 B 26 26 GLY CA C 482 42.485 46.168 -3.683 1
1 1844 . 8 2 2 B 26 26 GLY N N 482 108.850 111.999 -3.149 1
1 1845 . 8 2 2 B 27 27 GLU H H 483 8.142 8.796 -0.654 1
1 1846 . 8 2 2 B 27 27 GLU HA H 483 4.132 3.764 0.368 1
1 1850 . 8 2 2 B 27 27 GLU C C 483 174.078 176.495 -2.417 1
1 1851 . 8 2 2 B 27 27 GLU CA C 483 54.039 57.186 -3.147 1
1 1852 . 8 2 2 B 27 27 GLU CB C 483 27.066 27.814 -0.748 1
1 1854 . 8 2 2 B 27 27 GLU N N 483 120.369 119.620 0.749 1
1 1855 . 8 2 2 B 28 28 MET H H 484 8.348 8.116 0.232 1
1 1856 . 8 2 2 B 28 28 MET HA H 484 4.175 4.504 -0.329 1
1 1863 . 8 2 2 B 28 28 MET C C 484 173.796 176.800 -3.004 1
1 1864 . 8 2 2 B 28 28 MET CA C 484 53.324 55.329 -2.005 1
1 1865 . 8 2 2 B 28 28 MET CB C 484 29.849 32.643 -2.794 1
1 1868 . 8 2 2 B 28 28 MET N N 484 120.436 117.109 3.327 1
1 1869 . 8 2 2 B 29 29 SER H H 485 8.125 8.045 0.080 1
1 1870 . 8 2 2 B 29 29 SER HA H 485 4.338 3.989 0.349 1
1 1873 . 8 2 2 B 29 29 SER C C 485 171.585 175.564 -3.979 1
1 1874 . 8 2 2 B 29 29 SER CA C 485 56.067 61.743 -5.676 1
1 1875 . 8 2 2 B 29 29 SER CB C 485 60.603 62.833 -2.230 1
1 1876 . 8 2 2 B 29 29 SER N N 485 115.589 116.035 -0.446 1
1 1877 . 8 2 2 B 30 30 LYS H H 486 7.986 8.297 -0.311 1
1 1878 . 8 2 2 B 30 30 LYS HA H 486 4.220 4.297 -0.077 1
1 1883 . 8 2 2 B 30 30 LYS C C 486 173.803 177.080 -3.277 1
1 1884 . 8 2 2 B 30 30 LYS CA C 486 53.958 56.508 -2.550 1
1 1885 . 8 2 2 B 30 30 LYS CB C 486 30.005 31.752 -1.747 1
1 1889 . 8 2 2 B 30 30 LYS N N 486 122.255 118.526 3.729 1
1 1890 . 8 2 2 B 31 31 SER H H 487 7.972 8.576 -0.604 1
1 1891 . 8 2 2 B 31 31 SER HA H 487 3.676 4.195 -0.519 1
1 1894 . 8 2 2 B 31 31 SER C C 487 171.460 175.223 -3.763 1
1 1895 . 8 2 2 B 31 31 SER CA C 487 55.826 61.589 -5.763 1
1 1896 . 8 2 2 B 31 31 SER CB C 487 61.064 63.375 -2.311 1
1 1897 . 8 2 2 B 31 31 SER N N 487 114.856 116.329 -1.473 1
1 1898 . 8 2 2 B 32 32 LEU H H 488 8.017 8.103 -0.086 1
1 1899 . 8 2 2 B 32 32 LEU HA H 488 4.300 4.592 -0.292 1
1 1909 . 8 2 2 B 32 32 LEU C C 488 174.074 177.719 -3.645 1
1 1910 . 8 2 2 B 32 32 LEU CA C 488 53.057 55.381 -2.324 1
1 1911 . 8 2 2 B 32 32 LEU CB C 488 39.082 44.416 -5.334 1
1 1914 . 8 2 2 B 32 32 LEU N N 488 123.172 115.601 7.571 1
1 1915 . 8 2 2 B 33 33 TRP H H 489 7.636 8.346 -0.710 1
1 1916 . 8 2 2 B 33 33 TRP HA H 489 4.124 4.572 -0.448 1
1 1923 . 8 2 2 B 33 33 TRP C C 489 172.511 179.133 -6.622 1
1 1924 . 8 2 2 B 33 33 TRP CA C 489 53.958 59.535 -5.577 1
1 1925 . 8 2 2 B 33 33 TRP CB C 489 26.283 30.167 -3.884 1
1 1927 . 8 2 2 B 33 33 TRP N N 489 117.409 120.185 -2.776 1
1 1929 . 8 2 2 B 34 34 PHE H H 490 7.377 8.377 -1.000 1
1 1930 . 8 2 2 B 34 34 PHE HA H 490 4.325 4.141 0.184 1
1 1937 . 8 2 2 B 34 34 PHE C C 490 172.418 177.369 -4.951 1
1 1938 . 8 2 2 B 34 34 PHE CA C 490 55.014 61.629 -6.615 1
1 1939 . 8 2 2 B 34 34 PHE CB C 490 36.680 39.134 -2.454 1
1 1942 . 8 2 2 B 34 34 PHE N N 490 119.308 120.579 -1.271 1
1 1943 . 8 2 2 B 35 35 LYS H H 491 7.864 8.447 -0.583 1
1 1944 . 8 2 2 B 35 35 LYS HA H 491 4.195 4.079 0.116 1
1 1950 . 8 2 2 B 35 35 LYS C C 491 172.483 179.875 -7.392 1
1 1951 . 8 2 2 B 35 35 LYS CA C 491 53.521 59.347 -5.826 1
1 1952 . 8 2 2 B 35 35 LYS CB C 491 30.222 32.321 -2.099 1
1 1956 . 8 2 2 B 35 35 LYS N N 491 123.484 117.531 5.953 1
1 1575 . 9 2 2 B 2 2 SER H H 458 8.193 8.732 -0.539 1
1 1577 . 9 2 2 B 2 2 SER C C 458 172.550 174.713 -2.163 1
1 1578 . 9 2 2 B 2 2 SER CA C 458 55.709 61.735 -6.026 1
1 1579 . 9 2 2 B 2 2 SER CB C 458 61.137 63.154 -2.017 1
1 1580 . 9 2 2 B 2 2 SER N N 458 120.637 119.325 1.312 1
1 1581 . 9 2 2 B 3 3 ARG H H 459 8.654 7.692 0.962 1
1 1582 . 9 2 2 B 3 3 ARG HA H 459 3.838 4.592 -0.754 1
1 1584 . 9 2 2 B 3 3 ARG C C 459 174.192 176.521 -2.329 1
1 1585 . 9 2 2 B 3 3 ARG CA C 459 55.993 57.429 -1.436 1
1 1586 . 9 2 2 B 3 3 ARG CB C 459 27.411 31.348 -3.937 1
1 1588 . 9 2 2 B 3 3 ARG N N 459 125.365 117.753 7.612 1
1 1589 . 9 2 2 B 4 4 ALA H H 460 8.193 8.280 -0.087 1
1 1590 . 9 2 2 B 4 4 ALA HA H 460 4.164 4.200 -0.036 1
1 1594 . 9 2 2 B 4 4 ALA C C 460 176.557 179.280 -2.723 1
1 1595 . 9 2 2 B 4 4 ALA CA C 460 52.358 53.044 -0.686 1
1 1596 . 9 2 2 B 4 4 ALA CB C 460 15.958 19.182 -3.224 1
1 1597 . 9 2 2 B 4 4 ALA N N 460 120.862 122.357 -1.495 1
1 1598 . 9 2 2 B 5 5 LYS H H 461 7.900 8.028 -0.128 1
1 1599 . 9 2 2 B 5 5 LYS HA H 461 4.185 4.015 0.170 1
1 1602 . 9 2 2 B 5 5 LYS C C 461 175.175 178.717 -3.542 1
1 1603 . 9 2 2 B 5 5 LYS CA C 461 56.959 59.969 -3.010 1
1 1604 . 9 2 2 B 5 5 LYS CB C 461 28.819 32.375 -3.556 1
1 1606 . 9 2 2 B 5 5 LYS N N 461 118.064 118.628 -0.564 1
1 1607 . 9 2 2 B 6 6 ALA H H 462 7.778 8.047 -0.269 1
1 1608 . 9 2 2 B 6 6 ALA HA H 462 4.060 4.093 -0.033 1
1 1612 . 9 2 2 B 6 6 ALA C C 462 178.002 179.019 -1.017 1
1 1613 . 9 2 2 B 6 6 ALA CA C 462 52.150 55.321 -3.171 1
1 1614 . 9 2 2 B 6 6 ALA CB C 462 14.865 18.111 -3.246 1
1 1615 . 9 2 2 B 6 6 ALA N N 462 120.253 120.561 -0.308 1
1 1616 . 9 2 2 B 7 7 ASN H H 463 8.372 8.186 0.186 1
1 1617 . 9 2 2 B 7 7 ASN HA H 463 4.459 4.445 0.014 1
1 1620 . 9 2 2 B 7 7 ASN C C 463 175.009 177.454 -2.445 1
1 1621 . 9 2 2 B 7 7 ASN CA C 463 53.033 56.196 -3.163 1
1 1622 . 9 2 2 B 7 7 ASN CB C 463 35.500 39.218 -3.718 1
1 1623 . 9 2 2 B 7 7 ASN N N 463 118.243 116.510 1.733 1
1 1624 . 9 2 2 B 8 8 TRP H H 464 8.533 8.622 -0.089 1
1 1625 . 9 2 2 B 8 8 TRP HA H 464 4.203 4.088 0.115 1
1 1632 . 9 2 2 B 8 8 TRP C C 464 175.578 178.541 -2.963 1
1 1633 . 9 2 2 B 8 8 TRP CA C 464 58.190 60.944 -2.754 1
1 1634 . 9 2 2 B 8 8 TRP CB C 464 26.538 29.688 -3.150 1
1 1636 . 9 2 2 B 8 8 TRP N N 464 121.805 121.501 0.304 1
1 1638 . 9 2 2 B 9 9 LEU H H 465 8.264 8.558 -0.294 1
1 1639 . 9 2 2 B 9 9 LEU HA H 465 4.172 3.800 0.372 1
1 1649 . 9 2 2 B 9 9 LEU C C 465 176.568 178.997 -2.429 1
1 1650 . 9 2 2 B 9 9 LEU CA C 465 55.499 58.243 -2.744 1
1 1651 . 9 2 2 B 9 9 LEU CB C 465 38.641 41.718 -3.077 1
1 1654 . 9 2 2 B 9 9 LEU N N 465 118.722 119.997 -1.275 1
1 1655 . 9 2 2 B 10 10 ARG H H 466 8.264 8.255 0.009 1
1 1656 . 9 2 2 B 10 10 ARG HA H 466 4.128 4.103 0.025 1
1 1660 . 9 2 2 B 10 10 ARG C C 466 175.900 178.995 -3.095 1
1 1661 . 9 2 2 B 10 10 ARG CA C 466 56.888 59.107 -2.219 1
1 1662 . 9 2 2 B 10 10 ARG CB C 466 27.368 29.847 -2.479 1
1 1664 . 9 2 2 B 10 10 ARG N N 466 120.684 118.067 2.617 1
1 1665 . 9 2 2 B 11 11 ALA H H 467 8.067 8.114 -0.047 1
1 1666 . 9 2 2 B 11 11 ALA HA H 467 3.978 4.148 -0.170 1
1 1670 . 9 2 2 B 11 11 ALA C C 467 175.888 180.498 -4.610 1
1 1671 . 9 2 2 B 11 11 ALA CA C 467 52.558 55.228 -2.670 1
1 1672 . 9 2 2 B 11 11 ALA CB C 467 16.041 19.140 -3.099 1
1 1673 . 9 2 2 B 11 11 ALA N N 467 121.482 122.343 -0.861 1
1 1674 . 9 2 2 B 12 12 PHE H H 468 9.052 8.139 0.913 1
1 1675 . 9 2 2 B 12 12 PHE HA H 468 4.350 4.410 -0.060 1
1 1682 . 9 2 2 B 12 12 PHE C C 468 173.951 178.462 -4.511 1
1 1683 . 9 2 2 B 12 12 PHE CA C 468 58.326 61.694 -3.368 1
1 1684 . 9 2 2 B 12 12 PHE CB C 468 37.668 38.227 -0.559 1
1 1687 . 9 2 2 B 12 12 PHE N N 468 117.615 116.340 1.275 1
1 1688 . 9 2 2 B 13 13 ASN H H 469 8.602 8.545 0.057 1
1 1689 . 9 2 2 B 13 13 ASN HA H 469 4.166 4.352 -0.186 1
1 1692 . 9 2 2 B 13 13 ASN C C 469 174.785 177.371 -2.586 1
1 1693 . 9 2 2 B 13 13 ASN CA C 469 53.709 56.616 -2.907 1
1 1694 . 9 2 2 B 13 13 ASN CB C 469 35.325 38.999 -3.674 1
1 1695 . 9 2 2 B 13 13 ASN N N 469 116.425 118.380 -1.955 1
1 1696 . 9 2 2 B 14 14 LYS H H 470 8.076 8.221 -0.145 1
1 1697 . 9 2 2 B 14 14 LYS HA H 470 4.045 4.041 0.004 1
1 1705 . 9 2 2 B 14 14 LYS C C 470 176.194 179.428 -3.234 1
1 1706 . 9 2 2 B 14 14 LYS CA C 470 57.174 59.437 -2.263 1
1 1707 . 9 2 2 B 14 14 LYS CB C 470 30.526 32.453 -1.927 1
1 1710 . 9 2 2 B 14 14 LYS N N 470 119.958 119.391 0.567 1
1 1711 . 9 2 2 B 15 15 VAL H H 471 8.410 7.478 0.932 1
1 1712 . 9 2 2 B 15 15 VAL HA H 471 3.532 3.845 -0.313 1
1 1720 . 9 2 2 B 15 15 VAL C C 471 174.970 178.103 -3.133 1
1 1721 . 9 2 2 B 15 15 VAL CA C 471 64.190 65.663 -1.473 1
1 1722 . 9 2 2 B 15 15 VAL CB C 471 28.483 31.354 -2.871 1
1 1725 . 9 2 2 B 15 15 VAL N N 471 121.488 115.741 5.747 1
1 1726 . 9 2 2 B 16 16 ARG H H 472 8.639 8.311 0.328 1
1 1727 . 9 2 2 B 16 16 ARG HA H 472 3.763 3.936 -0.173 1
1 1733 . 9 2 2 B 16 16 ARG C C 472 175.887 178.953 -3.066 1
1 1734 . 9 2 2 B 16 16 ARG CA C 472 56.805 60.212 -3.407 1
1 1735 . 9 2 2 B 16 16 ARG CB C 472 26.506 29.877 -3.371 1
1 1738 . 9 2 2 B 16 16 ARG N N 472 119.209 122.021 -2.812 1
1 1739 . 9 2 2 B 17 17 MET H H 473 7.701 7.945 -0.244 1
1 1740 . 9 2 2 B 17 17 MET HA H 473 4.105 4.136 -0.031 1
1 1747 . 9 2 2 B 17 17 MET C C 473 175.604 177.926 -2.322 1
1 1748 . 9 2 2 B 17 17 MET CA C 473 55.673 59.234 -3.561 1
1 1749 . 9 2 2 B 17 17 MET CB C 473 29.324 32.410 -3.086 1
1 1751 . 9 2 2 B 17 17 MET N N 473 117.427 119.468 -2.041 1
1 1752 . 9 2 2 B 18 18 GLN H H 474 7.733 8.187 -0.454 1
1 1753 . 9 2 2 B 18 18 GLN HA H 474 4.049 4.116 -0.067 1
1 1758 . 9 2 2 B 18 18 GLN C C 474 175.931 178.263 -2.332 1
1 1759 . 9 2 2 B 18 18 GLN CA C 474 55.976 58.670 -2.694 1
1 1760 . 9 2 2 B 18 18 GLN CB C 474 24.407 27.949 -3.542 1
1 1762 . 9 2 2 B 18 18 GLN N N 474 119.752 118.712 1.040 1
1 1763 . 9 2 2 B 19 19 LEU H H 475 8.151 8.267 -0.116 1
1 1764 . 9 2 2 B 19 19 LEU HA H 475 4.013 3.903 0.110 1
1 1774 . 9 2 2 B 19 19 LEU C C 475 176.150 179.542 -3.392 1
1 1775 . 9 2 2 B 19 19 LEU CA C 475 54.386 58.027 -3.641 1
1 1776 . 9 2 2 B 19 19 LEU CB C 475 39.047 41.438 -2.391 1
1 1780 . 9 2 2 B 19 19 LEU N N 475 120.063 121.605 -1.542 1
1 1781 . 9 2 2 B 20 20 GLN H H 476 7.911 8.264 -0.353 1
1 1782 . 9 2 2 B 20 20 GLN HA H 476 3.980 4.049 -0.069 1
1 1787 . 9 2 2 B 20 20 GLN C C 476 175.284 179.026 -3.742 1
1 1788 . 9 2 2 B 20 20 GLN CA C 476 55.365 59.275 -3.910 1
1 1789 . 9 2 2 B 20 20 GLN CB C 476 25.474 28.025 -2.551 1
1 1791 . 9 2 2 B 20 20 GLN N N 476 118.054 118.662 -0.608 1
1 1792 . 9 2 2 B 21 21 GLU H H 477 7.975 8.298 -0.323 1
1 1793 . 9 2 2 B 21 21 GLU HA H 477 4.016 4.016 0.000 1
1 1797 . 9 2 2 B 21 21 GLU C C 477 174.854 178.755 -3.901 1
1 1798 . 9 2 2 B 21 21 GLU CA C 477 55.490 59.418 -3.928 1
1 1799 . 9 2 2 B 21 21 GLU CB C 477 26.666 29.218 -2.552 1
1 1801 . 9 2 2 B 21 21 GLU N N 477 119.803 119.896 -0.093 1
1 1802 . 9 2 2 B 22 22 ALA H H 478 7.726 8.196 -0.470 1
1 1803 . 9 2 2 B 22 22 ALA HA H 478 4.190 4.004 0.186 1
1 1807 . 9 2 2 B 22 22 ALA C C 478 175.491 180.095 -4.604 1
1 1808 . 9 2 2 B 22 22 ALA CA C 478 50.517 55.020 -4.503 1
1 1809 . 9 2 2 B 22 22 ALA CB C 478 15.961 18.412 -2.451 1
1 1810 . 9 2 2 B 22 22 ALA N N 478 121.648 121.864 -0.216 1
1 1811 . 9 2 2 B 23 23 ARG H H 479 7.645 8.139 -0.494 1
1 1812 . 9 2 2 B 23 23 ARG HA H 479 4.211 4.063 0.148 1
1 1817 . 9 2 2 B 23 23 ARG C C 479 174.086 179.837 -5.751 1
1 1818 . 9 2 2 B 23 23 ARG CA C 479 53.836 59.181 -5.345 1
1 1819 . 9 2 2 B 23 23 ARG CB C 479 27.401 29.893 -2.492 1
1 1822 . 9 2 2 B 23 23 ARG N N 479 117.484 117.386 0.098 1
1 1823 . 9 2 2 B 24 24 GLY H H 480 7.961 8.039 -0.078 1
1 1824 . 9 2 2 B 24 24 GLY HA2 H 480 3.909 3.993 -0.084 1
1 1825 . 9 2 2 B 24 24 GLY HA3 H 480 3.909 3.995 -0.086 1
1 1826 . 9 2 2 B 24 24 GLY C C 480 171.195 174.319 -3.124 1
1 1827 . 9 2 2 B 24 24 GLY CA C 480 42.457 46.902 -4.445 1
1 1828 . 9 2 2 B 24 24 GLY N N 480 107.622 107.570 0.052 1
1 1829 . 9 2 2 B 25 25 GLU H H 481 8.163 7.617 0.546 1
1 1830 . 9 2 2 B 25 25 GLU HA H 481 4.269 4.737 -0.468 1
1 1834 . 9 2 2 B 25 25 GLU C C 481 174.077 175.690 -1.613 1
1 1835 . 9 2 2 B 25 25 GLU CA C 481 53.780 55.344 -1.564 1
1 1836 . 9 2 2 B 25 25 GLU CB C 481 27.272 31.410 -4.138 1
1 1838 . 9 2 2 B 25 25 GLU N N 481 120.497 120.782 -0.285 1
1 1839 . 9 2 2 B 26 26 GLY H H 482 8.350 8.315 0.035 1
1 1840 . 9 2 2 B 26 26 GLY HA2 H 482 3.902 4.193 -0.291 1
1 1841 . 9 2 2 B 26 26 GLY HA3 H 482 3.902 4.197 -0.295 1
1 1842 . 9 2 2 B 26 26 GLY C C 482 171.213 174.736 -3.523 1
1 1843 . 9 2 2 B 26 26 GLY CA C 482 42.485 45.906 -3.421 1
1 1844 . 9 2 2 B 26 26 GLY N N 482 108.850 112.323 -3.473 1
1 1845 . 9 2 2 B 27 27 GLU H H 483 8.142 9.354 -1.212 1
1 1846 . 9 2 2 B 27 27 GLU HA H 483 4.132 3.916 0.216 1
1 1850 . 9 2 2 B 27 27 GLU C C 483 174.078 178.628 -4.550 1
1 1851 . 9 2 2 B 27 27 GLU CA C 483 54.039 59.639 -5.600 1
1 1852 . 9 2 2 B 27 27 GLU CB C 483 27.066 29.636 -2.570 1
1 1854 . 9 2 2 B 27 27 GLU N N 483 120.369 123.958 -3.589 1
1 1855 . 9 2 2 B 28 28 MET H H 484 8.348 8.196 0.152 1
1 1856 . 9 2 2 B 28 28 MET HA H 484 4.175 4.121 0.054 1
1 1863 . 9 2 2 B 28 28 MET C C 484 173.796 177.924 -4.128 1
1 1864 . 9 2 2 B 28 28 MET CA C 484 53.324 58.392 -5.068 1
1 1865 . 9 2 2 B 28 28 MET CB C 484 29.849 31.913 -2.064 1
1 1868 . 9 2 2 B 28 28 MET N N 484 120.436 119.816 0.620 1
1 1869 . 9 2 2 B 29 29 SER H H 485 8.125 7.971 0.154 1
1 1870 . 9 2 2 B 29 29 SER HA H 485 4.338 4.210 0.128 1
1 1873 . 9 2 2 B 29 29 SER C C 485 171.585 175.504 -3.919 1
1 1874 . 9 2 2 B 29 29 SER CA C 485 56.067 60.819 -4.752 1
1 1875 . 9 2 2 B 29 29 SER CB C 485 60.603 62.840 -2.237 1
1 1876 . 9 2 2 B 29 29 SER N N 485 115.589 113.977 1.612 1
1 1877 . 9 2 2 B 30 30 LYS H H 486 7.986 7.683 0.303 1
1 1878 . 9 2 2 B 30 30 LYS HA H 486 4.220 4.242 -0.022 1
1 1883 . 9 2 2 B 30 30 LYS C C 486 173.803 176.435 -2.632 1
1 1884 . 9 2 2 B 30 30 LYS CA C 486 53.958 56.025 -2.067 1
1 1885 . 9 2 2 B 30 30 LYS CB C 486 30.005 32.609 -2.604 1
1 1889 . 9 2 2 B 30 30 LYS N N 486 122.255 119.636 2.619 1
1 1890 . 9 2 2 B 31 31 SER H H 487 7.972 7.494 0.478 1
1 1891 . 9 2 2 B 31 31 SER HA H 487 3.676 4.091 -0.415 1
1 1894 . 9 2 2 B 31 31 SER C C 487 171.460 174.439 -2.979 1
1 1895 . 9 2 2 B 31 31 SER CA C 487 55.826 58.785 -2.959 1
1 1896 . 9 2 2 B 31 31 SER CB C 487 61.064 63.980 -2.916 1
1 1897 . 9 2 2 B 31 31 SER N N 487 114.856 115.768 -0.912 1
1 1898 . 9 2 2 B 32 32 LEU H H 488 8.017 8.251 -0.234 1
1 1899 . 9 2 2 B 32 32 LEU HA H 488 4.300 4.022 0.278 1
1 1909 . 9 2 2 B 32 32 LEU C C 488 174.074 176.484 -2.410 1
1 1910 . 9 2 2 B 32 32 LEU CA C 488 53.057 54.585 -1.528 1
1 1911 . 9 2 2 B 32 32 LEU CB C 488 39.082 43.517 -4.435 1
1 1914 . 9 2 2 B 32 32 LEU N N 488 123.172 118.360 4.812 1
1 1915 . 9 2 2 B 33 33 TRP H H 489 7.636 7.447 0.189 1
1 1916 . 9 2 2 B 33 33 TRP HA H 489 4.124 4.752 -0.628 1
1 1923 . 9 2 2 B 33 33 TRP C C 489 172.511 176.086 -3.575 1
1 1924 . 9 2 2 B 33 33 TRP CA C 489 53.958 58.541 -4.583 1
1 1925 . 9 2 2 B 33 33 TRP CB C 489 26.283 32.182 -5.899 1
1 1927 . 9 2 2 B 33 33 TRP N N 489 117.409 119.018 -1.609 1
1 1929 . 9 2 2 B 34 34 PHE H H 490 7.377 8.051 -0.674 1
1 1930 . 9 2 2 B 34 34 PHE HA H 490 4.325 4.888 -0.563 1
1 1937 . 9 2 2 B 34 34 PHE C C 490 172.418 176.217 -3.799 1
1 1938 . 9 2 2 B 34 34 PHE CA C 490 55.014 55.667 -0.653 1
1 1939 . 9 2 2 B 34 34 PHE CB C 490 36.680 41.230 -4.550 1
1 1942 . 9 2 2 B 34 34 PHE N N 490 119.308 116.545 2.763 1
1 1943 . 9 2 2 B 35 35 LYS H H 491 7.864 9.224 -1.360 1
1 1944 . 9 2 2 B 35 35 LYS HA H 491 4.195 4.444 -0.249 1
1 1950 . 9 2 2 B 35 35 LYS C C 491 172.483 176.011 -3.528 1
1 1951 . 9 2 2 B 35 35 LYS CA C 491 53.521 56.064 -2.543 1
1 1952 . 9 2 2 B 35 35 LYS CB C 491 30.222 32.955 -2.733 1
1 1956 . 9 2 2 B 35 35 LYS N N 491 123.484 121.135 2.349 1
1 1575 . 10 2 2 B 2 2 SER H H 458 8.193 9.100 -0.907 1
1 1577 . 10 2 2 B 2 2 SER C C 458 172.550 176.839 -4.289 1
1 1578 . 10 2 2 B 2 2 SER CA C 458 55.709 61.224 -5.515 1
1 1579 . 10 2 2 B 2 2 SER CB C 458 61.137 62.943 -1.806 1
1 1580 . 10 2 2 B 2 2 SER N N 458 120.637 116.115 4.522 1
1 1581 . 10 2 2 B 3 3 ARG H H 459 8.654 8.385 0.269 1
1 1582 . 10 2 2 B 3 3 ARG HA H 459 3.838 4.089 -0.251 1
1 1584 . 10 2 2 B 3 3 ARG C C 459 174.192 177.933 -3.741 1
1 1585 . 10 2 2 B 3 3 ARG CA C 459 55.993 58.575 -2.582 1
1 1586 . 10 2 2 B 3 3 ARG CB C 459 27.411 30.173 -2.762 1
1 1588 . 10 2 2 B 3 3 ARG N N 459 125.365 121.701 3.664 1
1 1589 . 10 2 2 B 4 4 ALA H H 460 8.193 7.753 0.440 1
1 1590 . 10 2 2 B 4 4 ALA HA H 460 4.164 4.074 0.090 1
1 1594 . 10 2 2 B 4 4 ALA C C 460 176.557 179.196 -2.639 1
1 1595 . 10 2 2 B 4 4 ALA CA C 460 52.358 53.967 -1.609 1
1 1596 . 10 2 2 B 4 4 ALA CB C 460 15.958 18.910 -2.952 1
1 1597 . 10 2 2 B 4 4 ALA N N 460 120.862 121.922 -1.060 1
1 1598 . 10 2 2 B 5 5 LYS H H 461 7.900 7.980 -0.080 1
1 1599 . 10 2 2 B 5 5 LYS HA H 461 4.185 4.029 0.156 1
1 1602 . 10 2 2 B 5 5 LYS C C 461 175.175 178.742 -3.567 1
1 1603 . 10 2 2 B 5 5 LYS CA C 461 56.959 59.967 -3.008 1
1 1604 . 10 2 2 B 5 5 LYS CB C 461 28.819 32.412 -3.593 1
1 1606 . 10 2 2 B 5 5 LYS N N 461 118.064 118.798 -0.734 1
1 1607 . 10 2 2 B 6 6 ALA H H 462 7.778 8.070 -0.292 1
1 1608 . 10 2 2 B 6 6 ALA HA H 462 4.060 4.087 -0.027 1
1 1612 . 10 2 2 B 6 6 ALA C C 462 178.002 179.232 -1.230 1
1 1613 . 10 2 2 B 6 6 ALA CA C 462 52.150 55.308 -3.158 1
1 1614 . 10 2 2 B 6 6 ALA CB C 462 14.865 18.302 -3.437 1
1 1615 . 10 2 2 B 6 6 ALA N N 462 120.253 120.593 -0.340 1
1 1616 . 10 2 2 B 7 7 ASN H H 463 8.372 8.151 0.221 1
1 1617 . 10 2 2 B 7 7 ASN HA H 463 4.459 4.487 -0.028 1
1 1620 . 10 2 2 B 7 7 ASN C C 463 175.009 177.525 -2.516 1
1 1621 . 10 2 2 B 7 7 ASN CA C 463 53.033 56.342 -3.309 1
1 1622 . 10 2 2 B 7 7 ASN CB C 463 35.500 39.085 -3.585 1
1 1623 . 10 2 2 B 7 7 ASN N N 463 118.243 116.563 1.680 1
1 1624 . 10 2 2 B 8 8 TRP H H 464 8.533 8.645 -0.112 1
1 1625 . 10 2 2 B 8 8 TRP HA H 464 4.203 4.110 0.093 1
1 1632 . 10 2 2 B 8 8 TRP C C 464 175.578 178.297 -2.719 1
1 1633 . 10 2 2 B 8 8 TRP CA C 464 58.190 61.095 -2.905 1
1 1634 . 10 2 2 B 8 8 TRP CB C 464 26.538 29.689 -3.151 1
1 1636 . 10 2 2 B 8 8 TRP N N 464 121.805 121.518 0.287 1
1 1638 . 10 2 2 B 9 9 LEU H H 465 8.264 8.519 -0.255 1
1 1639 . 10 2 2 B 9 9 LEU HA H 465 4.172 3.787 0.385 1
1 1649 . 10 2 2 B 9 9 LEU C C 465 176.568 178.704 -2.136 1
1 1650 . 10 2 2 B 9 9 LEU CA C 465 55.499 58.217 -2.718 1
1 1651 . 10 2 2 B 9 9 LEU CB C 465 38.641 41.745 -3.104 1
1 1654 . 10 2 2 B 9 9 LEU N N 465 118.722 120.112 -1.390 1
1 1655 . 10 2 2 B 10 10 ARG H H 466 8.264 8.327 -0.063 1
1 1656 . 10 2 2 B 10 10 ARG HA H 466 4.128 4.079 0.049 1
1 1660 . 10 2 2 B 10 10 ARG C C 466 175.900 178.902 -3.002 1
1 1661 . 10 2 2 B 10 10 ARG CA C 466 56.888 59.075 -2.187 1
1 1662 . 10 2 2 B 10 10 ARG CB C 466 27.368 29.926 -2.558 1
1 1664 . 10 2 2 B 10 10 ARG N N 466 120.684 117.656 3.028 1
1 1665 . 10 2 2 B 11 11 ALA H H 467 8.067 8.096 -0.029 1
1 1666 . 10 2 2 B 11 11 ALA HA H 467 3.978 4.151 -0.173 1
1 1670 . 10 2 2 B 11 11 ALA C C 467 175.888 180.522 -4.634 1
1 1671 . 10 2 2 B 11 11 ALA CA C 467 52.558 55.275 -2.717 1
1 1672 . 10 2 2 B 11 11 ALA CB C 467 16.041 19.168 -3.127 1
1 1673 . 10 2 2 B 11 11 ALA N N 467 121.482 122.121 -0.639 1
1 1674 . 10 2 2 B 12 12 PHE H H 468 9.052 8.010 1.042 1
1 1675 . 10 2 2 B 12 12 PHE HA H 468 4.350 4.439 -0.089 1
1 1682 . 10 2 2 B 12 12 PHE C C 468 173.951 178.371 -4.420 1
1 1683 . 10 2 2 B 12 12 PHE CA C 468 58.326 61.340 -3.014 1
1 1684 . 10 2 2 B 12 12 PHE CB C 468 37.668 37.974 -0.306 1
1 1687 . 10 2 2 B 12 12 PHE N N 468 117.615 116.310 1.305 1
1 1688 . 10 2 2 B 13 13 ASN H H 469 8.602 8.474 0.128 1
1 1689 . 10 2 2 B 13 13 ASN HA H 469 4.166 4.363 -0.197 1
1 1692 . 10 2 2 B 13 13 ASN C C 469 174.785 177.575 -2.790 1
1 1693 . 10 2 2 B 13 13 ASN CA C 469 53.709 56.604 -2.895 1
1 1694 . 10 2 2 B 13 13 ASN CB C 469 35.325 38.843 -3.518 1
1 1695 . 10 2 2 B 13 13 ASN N N 469 116.425 118.573 -2.148 1
1 1696 . 10 2 2 B 14 14 LYS H H 470 8.076 8.178 -0.102 1
1 1697 . 10 2 2 B 14 14 LYS HA H 470 4.045 4.062 -0.017 1
1 1705 . 10 2 2 B 14 14 LYS C C 470 176.194 179.507 -3.313 1
1 1706 . 10 2 2 B 14 14 LYS CA C 470 57.174 59.322 -2.148 1
1 1707 . 10 2 2 B 14 14 LYS CB C 470 30.526 32.559 -2.033 1
1 1710 . 10 2 2 B 14 14 LYS N N 470 119.958 119.407 0.551 1
1 1711 . 10 2 2 B 15 15 VAL H H 471 8.410 7.680 0.730 1
1 1712 . 10 2 2 B 15 15 VAL HA H 471 3.532 3.564 -0.032 1
1 1720 . 10 2 2 B 15 15 VAL C C 471 174.970 178.012 -3.042 1
1 1721 . 10 2 2 B 15 15 VAL CA C 471 64.190 66.634 -2.444 1
1 1722 . 10 2 2 B 15 15 VAL CB C 471 28.483 31.572 -3.089 1
1 1725 . 10 2 2 B 15 15 VAL N N 471 121.488 119.973 1.515 1
1 1726 . 10 2 2 B 16 16 ARG H H 472 8.639 8.426 0.213 1
1 1727 . 10 2 2 B 16 16 ARG HA H 472 3.763 3.941 -0.178 1
1 1733 . 10 2 2 B 16 16 ARG C C 472 175.887 178.820 -2.933 1
1 1734 . 10 2 2 B 16 16 ARG CA C 472 56.805 60.206 -3.401 1
1 1735 . 10 2 2 B 16 16 ARG CB C 472 26.506 29.987 -3.481 1
1 1738 . 10 2 2 B 16 16 ARG N N 472 119.209 119.507 -0.298 1
1 1739 . 10 2 2 B 17 17 MET H H 473 7.701 8.201 -0.500 1
1 1740 . 10 2 2 B 17 17 MET HA H 473 4.105 4.073 0.032 1
1 1747 . 10 2 2 B 17 17 MET C C 473 175.604 177.959 -2.355 1
1 1748 . 10 2 2 B 17 17 MET CA C 473 55.673 59.768 -4.095 1
1 1749 . 10 2 2 B 17 17 MET CB C 473 29.324 32.721 -3.397 1
1 1751 . 10 2 2 B 17 17 MET N N 473 117.427 119.409 -1.982 1
1 1752 . 10 2 2 B 18 18 GLN H H 474 7.733 8.342 -0.609 1
1 1753 . 10 2 2 B 18 18 GLN HA H 474 4.049 4.053 -0.004 1
1 1758 . 10 2 2 B 18 18 GLN C C 474 175.931 177.883 -1.952 1
1 1759 . 10 2 2 B 18 18 GLN CA C 474 55.976 58.319 -2.343 1
1 1760 . 10 2 2 B 18 18 GLN CB C 474 24.407 27.399 -2.992 1
1 1762 . 10 2 2 B 18 18 GLN N N 474 119.752 118.118 1.634 1
1 1763 . 10 2 2 B 19 19 LEU H H 475 8.151 7.873 0.278 1
1 1764 . 10 2 2 B 19 19 LEU HA H 475 4.013 4.102 -0.089 1
1 1774 . 10 2 2 B 19 19 LEU C C 475 176.150 178.815 -2.665 1
1 1775 . 10 2 2 B 19 19 LEU CA C 475 54.386 57.616 -3.230 1
1 1776 . 10 2 2 B 19 19 LEU CB C 475 39.047 41.223 -2.176 1
1 1780 . 10 2 2 B 19 19 LEU N N 475 120.063 121.516 -1.453 1
1 1781 . 10 2 2 B 20 20 GLN H H 476 7.911 7.949 -0.038 1
1 1782 . 10 2 2 B 20 20 GLN HA H 476 3.980 4.180 -0.200 1
1 1787 . 10 2 2 B 20 20 GLN C C 476 175.284 178.186 -2.902 1
1 1788 . 10 2 2 B 20 20 GLN CA C 476 55.365 57.594 -2.229 1
1 1789 . 10 2 2 B 20 20 GLN CB C 476 25.474 27.929 -2.455 1
1 1791 . 10 2 2 B 20 20 GLN N N 476 118.054 118.062 -0.008 1
1 1792 . 10 2 2 B 21 21 GLU H H 477 7.975 7.740 0.235 1
1 1793 . 10 2 2 B 21 21 GLU HA H 477 4.016 4.020 -0.004 1
1 1797 . 10 2 2 B 21 21 GLU C C 477 174.854 178.536 -3.682 1
1 1798 . 10 2 2 B 21 21 GLU CA C 477 55.490 59.464 -3.974 1
1 1799 . 10 2 2 B 21 21 GLU CB C 477 26.666 29.470 -2.804 1
1 1801 . 10 2 2 B 21 21 GLU N N 477 119.803 120.537 -0.734 1
1 1802 . 10 2 2 B 22 22 ALA H H 478 7.726 7.583 0.143 1
1 1803 . 10 2 2 B 22 22 ALA HA H 478 4.190 4.110 0.080 1
1 1807 . 10 2 2 B 22 22 ALA C C 478 175.491 178.122 -2.631 1
1 1808 . 10 2 2 B 22 22 ALA CA C 478 50.517 55.077 -4.560 1
1 1809 . 10 2 2 B 22 22 ALA CB C 478 15.961 18.154 -2.193 1
1 1810 . 10 2 2 B 22 22 ALA N N 478 121.648 120.665 0.983 1
1 1811 . 10 2 2 B 23 23 ARG H H 479 7.645 7.490 0.155 1
1 1812 . 10 2 2 B 23 23 ARG HA H 479 4.211 4.245 -0.034 1
1 1817 . 10 2 2 B 23 23 ARG C C 479 174.086 177.006 -2.920 1
1 1818 . 10 2 2 B 23 23 ARG CA C 479 53.836 57.534 -3.698 1
1 1819 . 10 2 2 B 23 23 ARG CB C 479 27.401 30.880 -3.479 1
1 1822 . 10 2 2 B 23 23 ARG N N 479 117.484 118.108 -0.624 1
1 1823 . 10 2 2 B 24 24 GLY H H 480 7.961 8.707 -0.746 1
1 1824 . 10 2 2 B 24 24 GLY HA2 H 480 3.909 4.079 -0.170 1
1 1825 . 10 2 2 B 24 24 GLY HA3 H 480 3.909 4.081 -0.172 1
1 1826 . 10 2 2 B 24 24 GLY C C 480 171.195 175.300 -4.105 1
1 1827 . 10 2 2 B 24 24 GLY CA C 480 42.457 45.442 -2.985 1
1 1828 . 10 2 2 B 24 24 GLY N N 480 107.622 111.570 -3.948 1
1 1829 . 10 2 2 B 25 25 GLU H H 481 8.163 8.243 -0.080 1
1 1830 . 10 2 2 B 25 25 GLU HA H 481 4.269 4.217 0.052 1
1 1834 . 10 2 2 B 25 25 GLU C C 481 174.077 177.118 -3.041 1
1 1835 . 10 2 2 B 25 25 GLU CA C 481 53.780 57.092 -3.312 1
1 1836 . 10 2 2 B 25 25 GLU CB C 481 27.272 29.994 -2.722 1
1 1838 . 10 2 2 B 25 25 GLU N N 481 120.497 119.981 0.516 1
1 1839 . 10 2 2 B 26 26 GLY H H 482 8.350 7.967 0.383 1
1 1840 . 10 2 2 B 26 26 GLY HA2 H 482 3.902 3.893 0.009 1
1 1841 . 10 2 2 B 26 26 GLY HA3 H 482 3.902 3.893 0.009 1
1 1842 . 10 2 2 B 26 26 GLY C C 482 171.213 175.340 -4.127 1
1 1843 . 10 2 2 B 26 26 GLY CA C 482 42.485 46.919 -4.434 1
1 1844 . 10 2 2 B 26 26 GLY N N 482 108.850 109.490 -0.640 1
1 1845 . 10 2 2 B 27 27 GLU H H 483 8.142 8.018 0.124 1
1 1846 . 10 2 2 B 27 27 GLU HA H 483 4.132 4.063 0.069 1
1 1850 . 10 2 2 B 27 27 GLU C C 483 174.078 179.085 -5.007 1
1 1851 . 10 2 2 B 27 27 GLU CA C 483 54.039 59.548 -5.509 1
1 1852 . 10 2 2 B 27 27 GLU CB C 483 27.066 29.375 -2.309 1
1 1854 . 10 2 2 B 27 27 GLU N N 483 120.369 117.885 2.484 1
1 1855 . 10 2 2 B 28 28 MET H H 484 8.348 8.011 0.337 1
1 1856 . 10 2 2 B 28 28 MET HA H 484 4.175 4.105 0.070 1
1 1863 . 10 2 2 B 28 28 MET C C 484 173.796 176.395 -2.599 1
1 1864 . 10 2 2 B 28 28 MET CA C 484 53.324 59.150 -5.826 1
1 1865 . 10 2 2 B 28 28 MET CB C 484 29.849 32.635 -2.786 1
1 1868 . 10 2 2 B 28 28 MET N N 484 120.436 120.061 0.375 1
1 1869 . 10 2 2 B 29 29 SER H H 485 8.125 7.788 0.337 1
1 1870 . 10 2 2 B 29 29 SER HA H 485 4.338 4.026 0.312 1
1 1873 . 10 2 2 B 29 29 SER C C 485 171.585 174.541 -2.956 1
1 1874 . 10 2 2 B 29 29 SER CA C 485 56.067 60.620 -4.553 1
1 1875 . 10 2 2 B 29 29 SER CB C 485 60.603 61.667 -1.064 1
1 1876 . 10 2 2 B 29 29 SER N N 485 115.589 113.056 2.533 1
1 1877 . 10 2 2 B 30 30 LYS H H 486 7.986 8.417 -0.431 1
1 1878 . 10 2 2 B 30 30 LYS HA H 486 4.220 3.752 0.468 1
1 1883 . 10 2 2 B 30 30 LYS C C 486 173.803 176.668 -2.865 1
1 1884 . 10 2 2 B 30 30 LYS CA C 486 53.958 55.853 -1.895 1
1 1885 . 10 2 2 B 30 30 LYS CB C 486 30.005 30.962 -0.957 1
1 1889 . 10 2 2 B 30 30 LYS N N 486 122.255 118.996 3.259 1
1 1890 . 10 2 2 B 31 31 SER H H 487 7.972 8.267 -0.295 1
1 1891 . 10 2 2 B 31 31 SER HA H 487 3.676 4.083 -0.407 1
1 1894 . 10 2 2 B 31 31 SER C C 487 171.460 174.426 -2.966 1
1 1895 . 10 2 2 B 31 31 SER CA C 487 55.826 61.935 -6.109 1
1 1896 . 10 2 2 B 31 31 SER CB C 487 61.064 63.373 -2.309 1
1 1897 . 10 2 2 B 31 31 SER N N 487 114.856 117.546 -2.690 1
1 1898 . 10 2 2 B 32 32 LEU H H 488 8.017 7.575 0.442 1
1 1899 . 10 2 2 B 32 32 LEU HA H 488 4.300 4.535 -0.235 1
1 1909 . 10 2 2 B 32 32 LEU C C 488 174.074 175.236 -1.162 1
1 1910 . 10 2 2 B 32 32 LEU CA C 488 53.057 53.695 -0.638 1
1 1911 . 10 2 2 B 32 32 LEU CB C 488 39.082 43.361 -4.279 1
1 1914 . 10 2 2 B 32 32 LEU N N 488 123.172 115.187 7.985 1
1 1915 . 10 2 2 B 33 33 TRP H H 489 7.636 8.490 -0.854 1
1 1916 . 10 2 2 B 33 33 TRP HA H 489 4.124 4.204 -0.080 1
1 1923 . 10 2 2 B 33 33 TRP C C 489 172.511 176.878 -4.367 1
1 1924 . 10 2 2 B 33 33 TRP CA C 489 53.958 58.923 -4.965 1
1 1925 . 10 2 2 B 33 33 TRP CB C 489 26.283 27.108 -0.825 1
1 1927 . 10 2 2 B 33 33 TRP N N 489 117.409 118.057 -0.648 1
1 1929 . 10 2 2 B 34 34 PHE H H 490 7.377 8.139 -0.762 1
1 1930 . 10 2 2 B 34 34 PHE HA H 490 4.325 4.413 -0.088 1
1 1937 . 10 2 2 B 34 34 PHE C C 490 172.418 177.265 -4.847 1
1 1938 . 10 2 2 B 34 34 PHE CA C 490 55.014 59.978 -4.964 1
1 1939 . 10 2 2 B 34 34 PHE CB C 490 36.680 38.292 -1.612 1
1 1942 . 10 2 2 B 34 34 PHE N N 490 119.308 117.704 1.604 1
1 1943 . 10 2 2 B 35 35 LYS H H 491 7.864 7.063 0.801 1
1 1944 . 10 2 2 B 35 35 LYS HA H 491 4.195 3.936 0.259 1
1 1950 . 10 2 2 B 35 35 LYS C C 491 172.483 176.410 -3.927 1
1 1951 . 10 2 2 B 35 35 LYS CA C 491 53.521 57.893 -4.372 1
1 1952 . 10 2 2 B 35 35 LYS CB C 491 30.222 31.634 -1.412 1
1 1956 . 10 2 2 B 35 35 LYS N N 491 123.484 117.366 6.118 1
1 1575 . 11 2 2 B 2 2 SER H H 458 8.193 8.489 -0.296 1
1 1577 . 11 2 2 B 2 2 SER C C 458 172.550 176.415 -3.865 1
1 1578 . 11 2 2 B 2 2 SER CA C 458 55.709 61.224 -5.515 1
1 1579 . 11 2 2 B 2 2 SER CB C 458 61.137 63.095 -1.958 1
1 1580 . 11 2 2 B 2 2 SER N N 458 120.637 116.956 3.681 1
1 1581 . 11 2 2 B 3 3 ARG H H 459 8.654 8.357 0.297 1
1 1582 . 11 2 2 B 3 3 ARG HA H 459 3.838 4.076 -0.238 1
1 1584 . 11 2 2 B 3 3 ARG C C 459 174.192 177.806 -3.614 1
1 1585 . 11 2 2 B 3 3 ARG CA C 459 55.993 58.649 -2.656 1
1 1586 . 11 2 2 B 3 3 ARG CB C 459 27.411 30.229 -2.818 1
1 1588 . 11 2 2 B 3 3 ARG N N 459 125.365 121.341 4.024 1
1 1589 . 11 2 2 B 4 4 ALA H H 460 8.193 7.799 0.394 1
1 1590 . 11 2 2 B 4 4 ALA HA H 460 4.164 4.182 -0.018 1
1 1594 . 11 2 2 B 4 4 ALA C C 460 176.557 179.348 -2.791 1
1 1595 . 11 2 2 B 4 4 ALA CA C 460 52.358 53.613 -1.255 1
1 1596 . 11 2 2 B 4 4 ALA CB C 460 15.958 19.000 -3.042 1
1 1597 . 11 2 2 B 4 4 ALA N N 460 120.862 121.918 -1.056 1
1 1598 . 11 2 2 B 5 5 LYS H H 461 7.900 7.649 0.251 1
1 1599 . 11 2 2 B 5 5 LYS HA H 461 4.185 4.051 0.134 1
1 1602 . 11 2 2 B 5 5 LYS C C 461 175.175 178.824 -3.649 1
1 1603 . 11 2 2 B 5 5 LYS CA C 461 56.959 59.927 -2.968 1
1 1604 . 11 2 2 B 5 5 LYS CB C 461 28.819 32.408 -3.589 1
1 1606 . 11 2 2 B 5 5 LYS N N 461 118.064 118.828 -0.764 1
1 1607 . 11 2 2 B 6 6 ALA H H 462 7.778 8.071 -0.293 1
1 1608 . 11 2 2 B 6 6 ALA HA H 462 4.060 4.095 -0.035 1
1 1612 . 11 2 2 B 6 6 ALA C C 462 178.002 179.847 -1.845 1
1 1613 . 11 2 2 B 6 6 ALA CA C 462 52.150 55.285 -3.135 1
1 1614 . 11 2 2 B 6 6 ALA CB C 462 14.865 18.181 -3.316 1
1 1615 . 11 2 2 B 6 6 ALA N N 462 120.253 120.530 -0.277 1
1 1616 . 11 2 2 B 7 7 ASN H H 463 8.372 8.261 0.111 1
1 1617 . 11 2 2 B 7 7 ASN HA H 463 4.459 4.413 0.046 1
1 1620 . 11 2 2 B 7 7 ASN C C 463 175.009 177.941 -2.932 1
1 1621 . 11 2 2 B 7 7 ASN CA C 463 53.033 56.581 -3.548 1
1 1622 . 11 2 2 B 7 7 ASN CB C 463 35.500 38.279 -2.779 1
1 1623 . 11 2 2 B 7 7 ASN N N 463 118.243 115.886 2.357 1
1 1624 . 11 2 2 B 8 8 TRP H H 464 8.533 8.525 0.008 1
1 1625 . 11 2 2 B 8 8 TRP HA H 464 4.203 4.119 0.084 1
1 1632 . 11 2 2 B 8 8 TRP C C 464 175.578 178.186 -2.608 1
1 1633 . 11 2 2 B 8 8 TRP CA C 464 58.190 61.230 -3.040 1
1 1634 . 11 2 2 B 8 8 TRP CB C 464 26.538 29.335 -2.797 1
1 1636 . 11 2 2 B 8 8 TRP N N 464 121.805 122.534 -0.729 1
1 1638 . 11 2 2 B 9 9 LEU H H 465 8.264 8.519 -0.255 1
1 1639 . 11 2 2 B 9 9 LEU HA H 465 4.172 3.748 0.424 1
1 1649 . 11 2 2 B 9 9 LEU C C 465 176.568 178.923 -2.355 1
1 1650 . 11 2 2 B 9 9 LEU CA C 465 55.499 58.169 -2.670 1
1 1651 . 11 2 2 B 9 9 LEU CB C 465 38.641 41.618 -2.977 1
1 1654 . 11 2 2 B 9 9 LEU N N 465 118.722 119.941 -1.219 1
1 1655 . 11 2 2 B 10 10 ARG H H 466 8.264 8.293 -0.029 1
1 1656 . 11 2 2 B 10 10 ARG HA H 466 4.128 4.080 0.048 1
1 1660 . 11 2 2 B 10 10 ARG C C 466 175.900 179.153 -3.253 1
1 1661 . 11 2 2 B 10 10 ARG CA C 466 56.888 59.070 -2.182 1
1 1662 . 11 2 2 B 10 10 ARG CB C 466 27.368 29.845 -2.477 1
1 1664 . 11 2 2 B 10 10 ARG N N 466 120.684 118.033 2.651 1
1 1665 . 11 2 2 B 11 11 ALA H H 467 8.067 8.033 0.034 1
1 1666 . 11 2 2 B 11 11 ALA HA H 467 3.978 4.117 -0.139 1
1 1670 . 11 2 2 B 11 11 ALA C C 467 175.888 180.601 -4.713 1
1 1671 . 11 2 2 B 11 11 ALA CA C 467 52.558 55.219 -2.661 1
1 1672 . 11 2 2 B 11 11 ALA CB C 467 16.041 18.897 -2.856 1
1 1673 . 11 2 2 B 11 11 ALA N N 467 121.482 122.272 -0.790 1
1 1674 . 11 2 2 B 12 12 PHE H H 468 9.052 8.103 0.949 1
1 1675 . 11 2 2 B 12 12 PHE HA H 468 4.350 4.406 -0.056 1
1 1682 . 11 2 2 B 12 12 PHE C C 468 173.951 178.302 -4.351 1
1 1683 . 11 2 2 B 12 12 PHE CA C 468 58.326 61.311 -2.985 1
1 1684 . 11 2 2 B 12 12 PHE CB C 468 37.668 38.036 -0.368 1
1 1687 . 11 2 2 B 12 12 PHE N N 468 117.615 116.315 1.300 1
1 1688 . 11 2 2 B 13 13 ASN H H 469 8.602 8.432 0.170 1
1 1689 . 11 2 2 B 13 13 ASN HA H 469 4.166 4.350 -0.184 1
1 1692 . 11 2 2 B 13 13 ASN C C 469 174.785 177.515 -2.730 1
1 1693 . 11 2 2 B 13 13 ASN CA C 469 53.709 56.775 -3.066 1
1 1694 . 11 2 2 B 13 13 ASN CB C 469 35.325 38.835 -3.510 1
1 1695 . 11 2 2 B 13 13 ASN N N 469 116.425 118.758 -2.333 1
1 1696 . 11 2 2 B 14 14 LYS H H 470 8.076 8.109 -0.033 1
1 1697 . 11 2 2 B 14 14 LYS HA H 470 4.045 4.114 -0.069 1
1 1705 . 11 2 2 B 14 14 LYS C C 470 176.194 179.373 -3.179 1
1 1706 . 11 2 2 B 14 14 LYS CA C 470 57.174 59.615 -2.441 1
1 1707 . 11 2 2 B 14 14 LYS CB C 470 30.526 32.709 -2.183 1
1 1710 . 11 2 2 B 14 14 LYS N N 470 119.958 119.664 0.294 1
1 1711 . 11 2 2 B 15 15 VAL H H 471 8.410 7.560 0.850 1
1 1712 . 11 2 2 B 15 15 VAL HA H 471 3.532 3.649 -0.117 1
1 1720 . 11 2 2 B 15 15 VAL C C 471 174.970 177.750 -2.780 1
1 1721 . 11 2 2 B 15 15 VAL CA C 471 64.190 66.469 -2.279 1
1 1722 . 11 2 2 B 15 15 VAL CB C 471 28.483 31.389 -2.906 1
1 1725 . 11 2 2 B 15 15 VAL N N 471 121.488 120.369 1.119 1
1 1726 . 11 2 2 B 16 16 ARG H H 472 8.639 8.308 0.331 1
1 1727 . 11 2 2 B 16 16 ARG HA H 472 3.763 3.972 -0.209 1
1 1733 . 11 2 2 B 16 16 ARG C C 472 175.887 179.101 -3.214 1
1 1734 . 11 2 2 B 16 16 ARG CA C 472 56.805 59.983 -3.178 1
1 1735 . 11 2 2 B 16 16 ARG CB C 472 26.506 30.084 -3.578 1
1 1738 . 11 2 2 B 16 16 ARG N N 472 119.209 119.085 0.124 1
1 1739 . 11 2 2 B 17 17 MET H H 473 7.701 8.101 -0.400 1
1 1740 . 11 2 2 B 17 17 MET HA H 473 4.105 4.358 -0.253 1
1 1747 . 11 2 2 B 17 17 MET C C 473 175.604 178.442 -2.838 1
1 1748 . 11 2 2 B 17 17 MET CA C 473 55.673 58.764 -3.091 1
1 1749 . 11 2 2 B 17 17 MET CB C 473 29.324 32.235 -2.911 1
1 1751 . 11 2 2 B 17 17 MET N N 473 117.427 119.246 -1.819 1
1 1752 . 11 2 2 B 18 18 GLN H H 474 7.733 8.610 -0.877 1
1 1753 . 11 2 2 B 18 18 GLN HA H 474 4.049 4.001 0.048 1
1 1758 . 11 2 2 B 18 18 GLN C C 474 175.931 178.157 -2.226 1
1 1759 . 11 2 2 B 18 18 GLN CA C 474 55.976 59.036 -3.060 1
1 1760 . 11 2 2 B 18 18 GLN CB C 474 24.407 28.078 -3.671 1
1 1762 . 11 2 2 B 18 18 GLN N N 474 119.752 120.557 -0.805 1
1 1763 . 11 2 2 B 19 19 LEU H H 475 8.151 8.556 -0.405 1
1 1764 . 11 2 2 B 19 19 LEU HA H 475 4.013 4.032 -0.019 1
1 1774 . 11 2 2 B 19 19 LEU C C 475 176.150 179.453 -3.303 1
1 1775 . 11 2 2 B 19 19 LEU CA C 475 54.386 57.637 -3.251 1
1 1776 . 11 2 2 B 19 19 LEU CB C 475 39.047 41.198 -2.151 1
1 1780 . 11 2 2 B 19 19 LEU N N 475 120.063 119.019 1.044 1
1 1781 . 11 2 2 B 20 20 GLN H H 476 7.911 7.963 -0.052 1
1 1782 . 11 2 2 B 20 20 GLN HA H 476 3.980 4.332 -0.352 1
1 1787 . 11 2 2 B 20 20 GLN C C 476 175.284 178.530 -3.246 1
1 1788 . 11 2 2 B 20 20 GLN CA C 476 55.365 58.343 -2.978 1
1 1789 . 11 2 2 B 20 20 GLN CB C 476 25.474 28.806 -3.332 1
1 1791 . 11 2 2 B 20 20 GLN N N 476 118.054 118.310 -0.256 1
1 1792 . 11 2 2 B 21 21 GLU H H 477 7.975 8.276 -0.301 1
1 1793 . 11 2 2 B 21 21 GLU HA H 477 4.016 4.014 0.002 1
1 1797 . 11 2 2 B 21 21 GLU C C 477 174.854 178.569 -3.715 1
1 1798 . 11 2 2 B 21 21 GLU CA C 477 55.490 59.470 -3.980 1
1 1799 . 11 2 2 B 21 21 GLU CB C 477 26.666 29.484 -2.818 1
1 1801 . 11 2 2 B 21 21 GLU N N 477 119.803 120.251 -0.448 1
1 1802 . 11 2 2 B 22 22 ALA H H 478 7.726 7.340 0.386 1
1 1803 . 11 2 2 B 22 22 ALA HA H 478 4.190 4.088 0.102 1
1 1807 . 11 2 2 B 22 22 ALA C C 478 175.491 178.064 -2.573 1
1 1808 . 11 2 2 B 22 22 ALA CA C 478 50.517 54.795 -4.278 1
1 1809 . 11 2 2 B 22 22 ALA CB C 478 15.961 18.405 -2.444 1
1 1810 . 11 2 2 B 22 22 ALA N N 478 121.648 120.705 0.943 1
1 1811 . 11 2 2 B 23 23 ARG H H 479 7.645 7.861 -0.216 1
1 1812 . 11 2 2 B 23 23 ARG HA H 479 4.211 4.421 -0.210 1
1 1817 . 11 2 2 B 23 23 ARG C C 479 174.086 177.055 -2.969 1
1 1818 . 11 2 2 B 23 23 ARG CA C 479 53.836 55.800 -1.964 1
1 1819 . 11 2 2 B 23 23 ARG CB C 479 27.401 31.610 -4.209 1
1 1822 . 11 2 2 B 23 23 ARG N N 479 117.484 118.276 -0.792 1
1 1823 . 11 2 2 B 24 24 GLY H H 480 7.961 8.773 -0.812 1
1 1824 . 11 2 2 B 24 24 GLY HA2 H 480 3.909 3.979 -0.070 1
1 1825 . 11 2 2 B 24 24 GLY HA3 H 480 3.909 3.984 -0.075 1
1 1826 . 11 2 2 B 24 24 GLY C C 480 171.195 173.687 -2.492 1
1 1827 . 11 2 2 B 24 24 GLY CA C 480 42.457 44.926 -2.469 1
1 1828 . 11 2 2 B 24 24 GLY N N 480 107.622 111.320 -3.698 1
1 1829 . 11 2 2 B 25 25 GLU H H 481 8.163 7.932 0.231 1
1 1830 . 11 2 2 B 25 25 GLU HA H 481 4.269 4.582 -0.313 1
1 1834 . 11 2 2 B 25 25 GLU C C 481 174.077 176.788 -2.711 1
1 1835 . 11 2 2 B 25 25 GLU CA C 481 53.780 55.561 -1.781 1
1 1836 . 11 2 2 B 25 25 GLU CB C 481 27.272 31.702 -4.430 1
1 1838 . 11 2 2 B 25 25 GLU N N 481 120.497 120.003 0.494 1
1 1839 . 11 2 2 B 26 26 GLY H H 482 8.350 9.037 -0.687 1
1 1840 . 11 2 2 B 26 26 GLY HA2 H 482 3.902 3.928 -0.026 1
1 1841 . 11 2 2 B 26 26 GLY HA3 H 482 3.902 3.937 -0.035 1
1 1842 . 11 2 2 B 26 26 GLY C C 482 171.213 175.227 -4.014 1
1 1843 . 11 2 2 B 26 26 GLY CA C 482 42.485 46.558 -4.073 1
1 1844 . 11 2 2 B 26 26 GLY N N 482 108.850 113.324 -4.474 1
1 1845 . 11 2 2 B 27 27 GLU H H 483 8.142 8.099 0.043 1
1 1846 . 11 2 2 B 27 27 GLU HA H 483 4.132 3.877 0.255 1
1 1850 . 11 2 2 B 27 27 GLU C C 483 174.078 178.675 -4.597 1
1 1851 . 11 2 2 B 27 27 GLU CA C 483 54.039 59.090 -5.051 1
1 1852 . 11 2 2 B 27 27 GLU CB C 483 27.066 29.291 -2.225 1
1 1854 . 11 2 2 B 27 27 GLU N N 483 120.369 121.556 -1.187 1
1 1855 . 11 2 2 B 28 28 MET H H 484 8.348 8.116 0.232 1
1 1856 . 11 2 2 B 28 28 MET HA H 484 4.175 4.159 0.016 1
1 1863 . 11 2 2 B 28 28 MET C C 484 173.796 178.057 -4.261 1
1 1864 . 11 2 2 B 28 28 MET CA C 484 53.324 58.676 -5.352 1
1 1865 . 11 2 2 B 28 28 MET CB C 484 29.849 32.987 -3.138 1
1 1868 . 11 2 2 B 28 28 MET N N 484 120.436 118.789 1.647 1
1 1869 . 11 2 2 B 29 29 SER H H 485 8.125 7.871 0.254 1
1 1870 . 11 2 2 B 29 29 SER HA H 485 4.338 4.207 0.131 1
1 1873 . 11 2 2 B 29 29 SER C C 485 171.585 174.926 -3.341 1
1 1874 . 11 2 2 B 29 29 SER CA C 485 56.067 60.951 -4.884 1
1 1875 . 11 2 2 B 29 29 SER CB C 485 60.603 62.942 -2.339 1
1 1876 . 11 2 2 B 29 29 SER N N 485 115.589 113.658 1.931 1
1 1877 . 11 2 2 B 30 30 LYS H H 486 7.986 7.593 0.393 1
1 1878 . 11 2 2 B 30 30 LYS HA H 486 4.220 4.522 -0.302 1
1 1883 . 11 2 2 B 30 30 LYS C C 486 173.803 176.802 -2.999 1
1 1884 . 11 2 2 B 30 30 LYS CA C 486 53.958 54.956 -0.998 1
1 1885 . 11 2 2 B 30 30 LYS CB C 486 30.005 31.710 -1.705 1
1 1889 . 11 2 2 B 30 30 LYS N N 486 122.255 117.932 4.323 1
1 1890 . 11 2 2 B 31 31 SER H H 487 7.972 8.472 -0.500 1
1 1891 . 11 2 2 B 31 31 SER HA H 487 3.676 4.207 -0.531 1
1 1894 . 11 2 2 B 31 31 SER C C 487 171.460 174.317 -2.857 1
1 1895 . 11 2 2 B 31 31 SER CA C 487 55.826 61.372 -5.546 1
1 1896 . 11 2 2 B 31 31 SER CB C 487 61.064 63.832 -2.768 1
1 1897 . 11 2 2 B 31 31 SER N N 487 114.856 116.096 -1.240 1
1 1898 . 11 2 2 B 32 32 LEU H H 488 8.017 7.847 0.170 1
1 1899 . 11 2 2 B 32 32 LEU HA H 488 4.300 4.924 -0.624 1
1 1909 . 11 2 2 B 32 32 LEU C C 488 174.074 175.579 -1.505 1
1 1910 . 11 2 2 B 32 32 LEU CA C 488 53.057 54.342 -1.285 1
1 1911 . 11 2 2 B 32 32 LEU CB C 488 39.082 43.673 -4.591 1
1 1914 . 11 2 2 B 32 32 LEU N N 488 123.172 114.655 8.517 1
1 1915 . 11 2 2 B 33 33 TRP H H 489 7.636 8.711 -1.075 1
1 1916 . 11 2 2 B 33 33 TRP HA H 489 4.124 4.309 -0.185 1
1 1923 . 11 2 2 B 33 33 TRP C C 489 172.511 176.476 -3.965 1
1 1924 . 11 2 2 B 33 33 TRP CA C 489 53.958 58.742 -4.784 1
1 1925 . 11 2 2 B 33 33 TRP CB C 489 26.283 26.665 -0.382 1
1 1927 . 11 2 2 B 33 33 TRP N N 489 117.409 118.037 -0.628 1
1 1929 . 11 2 2 B 34 34 PHE H H 490 7.377 7.974 -0.597 1
1 1930 . 11 2 2 B 34 34 PHE HA H 490 4.325 4.800 -0.475 1
1 1937 . 11 2 2 B 34 34 PHE C C 490 172.418 177.111 -4.693 1
1 1938 . 11 2 2 B 34 34 PHE CA C 490 55.014 57.714 -2.700 1
1 1939 . 11 2 2 B 34 34 PHE CB C 490 36.680 40.304 -3.624 1
1 1942 . 11 2 2 B 34 34 PHE N N 490 119.308 115.905 3.403 1
1 1943 . 11 2 2 B 35 35 LYS H H 491 7.864 6.972 0.892 1
1 1944 . 11 2 2 B 35 35 LYS HA H 491 4.195 3.738 0.457 1
1 1950 . 11 2 2 B 35 35 LYS C C 491 172.483 177.063 -4.580 1
1 1951 . 11 2 2 B 35 35 LYS CA C 491 53.521 57.071 -3.550 1
1 1952 . 11 2 2 B 35 35 LYS CB C 491 30.222 32.275 -2.053 1
1 1956 . 11 2 2 B 35 35 LYS N N 491 123.484 120.189 3.295 1
1 1575 . 12 2 2 B 2 2 SER H H 458 8.193 8.003 0.190 1
1 1577 . 12 2 2 B 2 2 SER C C 458 172.550 174.003 -1.453 1
1 1578 . 12 2 2 B 2 2 SER CA C 458 55.709 60.959 -5.250 1
1 1579 . 12 2 2 B 2 2 SER CB C 458 61.137 63.031 -1.894 1
1 1580 . 12 2 2 B 2 2 SER N N 458 120.637 115.934 4.703 1
1 1581 . 12 2 2 B 3 3 ARG H H 459 8.654 7.803 0.851 1
1 1582 . 12 2 2 B 3 3 ARG HA H 459 3.838 4.684 -0.846 1
1 1584 . 12 2 2 B 3 3 ARG C C 459 174.192 176.749 -2.557 1
1 1585 . 12 2 2 B 3 3 ARG CA C 459 55.993 53.995 1.998 1
1 1586 . 12 2 2 B 3 3 ARG CB C 459 27.411 33.022 -5.611 1
1 1588 . 12 2 2 B 3 3 ARG N N 459 125.365 120.867 4.498 1
1 1589 . 12 2 2 B 4 4 ALA H H 460 8.193 8.827 -0.634 1
1 1590 . 12 2 2 B 4 4 ALA HA H 460 4.164 3.926 0.238 1
1 1594 . 12 2 2 B 4 4 ALA C C 460 176.557 179.530 -2.973 1
1 1595 . 12 2 2 B 4 4 ALA CA C 460 52.358 54.931 -2.573 1
1 1596 . 12 2 2 B 4 4 ALA CB C 460 15.958 18.219 -2.261 1
1 1597 . 12 2 2 B 4 4 ALA N N 460 120.862 126.861 -5.999 1
1 1598 . 12 2 2 B 5 5 LYS H H 461 7.900 8.247 -0.347 1
1 1599 . 12 2 2 B 5 5 LYS HA H 461 4.185 4.111 0.074 1
1 1602 . 12 2 2 B 5 5 LYS C C 461 175.175 178.736 -3.561 1
1 1603 . 12 2 2 B 5 5 LYS CA C 461 56.959 59.593 -2.634 1
1 1604 . 12 2 2 B 5 5 LYS CB C 461 28.819 32.434 -3.615 1
1 1606 . 12 2 2 B 5 5 LYS N N 461 118.064 118.542 -0.478 1
1 1607 . 12 2 2 B 6 6 ALA H H 462 7.778 7.576 0.202 1
1 1608 . 12 2 2 B 6 6 ALA HA H 462 4.060 4.092 -0.032 1
1 1612 . 12 2 2 B 6 6 ALA C C 462 178.002 179.259 -1.257 1
1 1613 . 12 2 2 B 6 6 ALA CA C 462 52.150 55.341 -3.191 1
1 1614 . 12 2 2 B 6 6 ALA CB C 462 14.865 18.339 -3.474 1
1 1615 . 12 2 2 B 6 6 ALA N N 462 120.253 121.742 -1.489 1
1 1616 . 12 2 2 B 7 7 ASN H H 463 8.372 8.193 0.179 1
1 1617 . 12 2 2 B 7 7 ASN HA H 463 4.459 4.460 -0.001 1
1 1620 . 12 2 2 B 7 7 ASN C C 463 175.009 177.452 -2.443 1
1 1621 . 12 2 2 B 7 7 ASN CA C 463 53.033 56.179 -3.146 1
1 1622 . 12 2 2 B 7 7 ASN CB C 463 35.500 39.409 -3.909 1
1 1623 . 12 2 2 B 7 7 ASN N N 463 118.243 116.470 1.773 1
1 1624 . 12 2 2 B 8 8 TRP H H 464 8.533 8.845 -0.312 1
1 1625 . 12 2 2 B 8 8 TRP HA H 464 4.203 4.022 0.181 1
1 1632 . 12 2 2 B 8 8 TRP C C 464 175.578 178.044 -2.466 1
1 1633 . 12 2 2 B 8 8 TRP CA C 464 58.190 61.190 -3.000 1
1 1634 . 12 2 2 B 8 8 TRP CB C 464 26.538 29.399 -2.861 1
1 1636 . 12 2 2 B 8 8 TRP N N 464 121.805 121.379 0.426 1
1 1638 . 12 2 2 B 9 9 LEU H H 465 8.264 8.652 -0.388 1
1 1639 . 12 2 2 B 9 9 LEU HA H 465 4.172 3.760 0.412 1
1 1649 . 12 2 2 B 9 9 LEU C C 465 176.568 179.219 -2.651 1
1 1650 . 12 2 2 B 9 9 LEU CA C 465 55.499 58.264 -2.765 1
1 1651 . 12 2 2 B 9 9 LEU CB C 465 38.641 41.737 -3.096 1
1 1654 . 12 2 2 B 9 9 LEU N N 465 118.722 119.821 -1.099 1
1 1655 . 12 2 2 B 10 10 ARG H H 466 8.264 8.124 0.140 1
1 1656 . 12 2 2 B 10 10 ARG HA H 466 4.128 4.133 -0.005 1
1 1660 . 12 2 2 B 10 10 ARG C C 466 175.900 179.036 -3.136 1
1 1661 . 12 2 2 B 10 10 ARG CA C 466 56.888 59.109 -2.221 1
1 1662 . 12 2 2 B 10 10 ARG CB C 466 27.368 29.720 -2.352 1
1 1664 . 12 2 2 B 10 10 ARG N N 466 120.684 118.223 2.461 1
1 1665 . 12 2 2 B 11 11 ALA H H 467 8.067 8.099 -0.032 1
1 1666 . 12 2 2 B 11 11 ALA HA H 467 3.978 4.110 -0.132 1
1 1670 . 12 2 2 B 11 11 ALA C C 467 175.888 180.629 -4.741 1
1 1671 . 12 2 2 B 11 11 ALA CA C 467 52.558 55.155 -2.597 1
1 1672 . 12 2 2 B 11 11 ALA CB C 467 16.041 18.894 -2.853 1
1 1673 . 12 2 2 B 11 11 ALA N N 467 121.482 122.146 -0.664 1
1 1674 . 12 2 2 B 12 12 PHE H H 468 9.052 7.926 1.126 1
1 1675 . 12 2 2 B 12 12 PHE HA H 468 4.350 4.394 -0.044 1
1 1682 . 12 2 2 B 12 12 PHE C C 468 173.951 178.226 -4.275 1
1 1683 . 12 2 2 B 12 12 PHE CA C 468 58.326 61.535 -3.209 1
1 1684 . 12 2 2 B 12 12 PHE CB C 468 37.668 38.240 -0.572 1
1 1687 . 12 2 2 B 12 12 PHE N N 468 117.615 116.356 1.259 1
1 1688 . 12 2 2 B 13 13 ASN H H 469 8.602 8.517 0.085 1
1 1689 . 12 2 2 B 13 13 ASN HA H 469 4.166 4.328 -0.162 1
1 1692 . 12 2 2 B 13 13 ASN C C 469 174.785 177.609 -2.824 1
1 1693 . 12 2 2 B 13 13 ASN CA C 469 53.709 56.674 -2.965 1
1 1694 . 12 2 2 B 13 13 ASN CB C 469 35.325 39.068 -3.743 1
1 1695 . 12 2 2 B 13 13 ASN N N 469 116.425 118.572 -2.147 1
1 1696 . 12 2 2 B 14 14 LYS H H 470 8.076 8.257 -0.181 1
1 1697 . 12 2 2 B 14 14 LYS HA H 470 4.045 4.125 -0.080 1
1 1705 . 12 2 2 B 14 14 LYS C C 470 176.194 179.489 -3.295 1
1 1706 . 12 2 2 B 14 14 LYS CA C 470 57.174 59.618 -2.444 1
1 1707 . 12 2 2 B 14 14 LYS CB C 470 30.526 32.695 -2.169 1
1 1710 . 12 2 2 B 14 14 LYS N N 470 119.958 118.997 0.961 1
1 1711 . 12 2 2 B 15 15 VAL H H 471 8.410 7.813 0.597 1
1 1712 . 12 2 2 B 15 15 VAL HA H 471 3.532 3.568 -0.036 1
1 1720 . 12 2 2 B 15 15 VAL C C 471 174.970 177.968 -2.998 1
1 1721 . 12 2 2 B 15 15 VAL CA C 471 64.190 66.727 -2.537 1
1 1722 . 12 2 2 B 15 15 VAL CB C 471 28.483 31.469 -2.986 1
1 1725 . 12 2 2 B 15 15 VAL N N 471 121.488 119.701 1.787 1
1 1726 . 12 2 2 B 16 16 ARG H H 472 8.639 8.379 0.260 1
1 1727 . 12 2 2 B 16 16 ARG HA H 472 3.763 3.948 -0.185 1
1 1733 . 12 2 2 B 16 16 ARG C C 472 175.887 179.220 -3.333 1
1 1734 . 12 2 2 B 16 16 ARG CA C 472 56.805 60.157 -3.352 1
1 1735 . 12 2 2 B 16 16 ARG CB C 472 26.506 29.845 -3.339 1
1 1738 . 12 2 2 B 16 16 ARG N N 472 119.209 119.619 -0.410 1
1 1739 . 12 2 2 B 17 17 MET H H 473 7.701 7.744 -0.043 1
1 1740 . 12 2 2 B 17 17 MET HA H 473 4.105 4.211 -0.106 1
1 1747 . 12 2 2 B 17 17 MET C C 473 175.604 177.852 -2.248 1
1 1748 . 12 2 2 B 17 17 MET CA C 473 55.673 58.231 -2.558 1
1 1749 . 12 2 2 B 17 17 MET CB C 473 29.324 32.188 -2.864 1
1 1751 . 12 2 2 B 17 17 MET N N 473 117.427 119.472 -2.045 1
1 1752 . 12 2 2 B 18 18 GLN H H 474 7.733 8.283 -0.550 1
1 1753 . 12 2 2 B 18 18 GLN HA H 474 4.049 4.101 -0.052 1
1 1758 . 12 2 2 B 18 18 GLN C C 474 175.931 178.265 -2.334 1
1 1759 . 12 2 2 B 18 18 GLN CA C 474 55.976 58.661 -2.685 1
1 1760 . 12 2 2 B 18 18 GLN CB C 474 24.407 27.940 -3.533 1
1 1762 . 12 2 2 B 18 18 GLN N N 474 119.752 117.903 1.849 1
1 1763 . 12 2 2 B 19 19 LEU H H 475 8.151 8.021 0.130 1
1 1764 . 12 2 2 B 19 19 LEU HA H 475 4.013 3.921 0.092 1
1 1774 . 12 2 2 B 19 19 LEU C C 475 176.150 179.411 -3.261 1
1 1775 . 12 2 2 B 19 19 LEU CA C 475 54.386 57.989 -3.603 1
1 1776 . 12 2 2 B 19 19 LEU CB C 475 39.047 41.375 -2.328 1
1 1780 . 12 2 2 B 19 19 LEU N N 475 120.063 121.813 -1.750 1
1 1781 . 12 2 2 B 20 20 GLN H H 476 7.911 7.746 0.165 1
1 1782 . 12 2 2 B 20 20 GLN HA H 476 3.980 4.087 -0.107 1
1 1787 . 12 2 2 B 20 20 GLN C C 476 175.284 178.943 -3.659 1
1 1788 . 12 2 2 B 20 20 GLN CA C 476 55.365 59.287 -3.922 1
1 1789 . 12 2 2 B 20 20 GLN CB C 476 25.474 28.053 -2.579 1
1 1791 . 12 2 2 B 20 20 GLN N N 476 118.054 118.278 -0.224 1
1 1792 . 12 2 2 B 21 21 GLU H H 477 7.975 8.405 -0.430 1
1 1793 . 12 2 2 B 21 21 GLU HA H 477 4.016 4.032 -0.016 1
1 1797 . 12 2 2 B 21 21 GLU C C 477 174.854 178.446 -3.592 1
1 1798 . 12 2 2 B 21 21 GLU CA C 477 55.490 59.402 -3.912 1
1 1799 . 12 2 2 B 21 21 GLU CB C 477 26.666 29.367 -2.701 1
1 1801 . 12 2 2 B 21 21 GLU N N 477 119.803 119.990 -0.187 1
1 1802 . 12 2 2 B 22 22 ALA H H 478 7.726 7.193 0.533 1
1 1803 . 12 2 2 B 22 22 ALA HA H 478 4.190 4.130 0.060 1
1 1807 . 12 2 2 B 22 22 ALA C C 478 175.491 178.262 -2.771 1
1 1808 . 12 2 2 B 22 22 ALA CA C 478 50.517 53.749 -3.232 1
1 1809 . 12 2 2 B 22 22 ALA CB C 478 15.961 19.533 -3.572 1
1 1810 . 12 2 2 B 22 22 ALA N N 478 121.648 121.313 0.335 1
1 1811 . 12 2 2 B 23 23 ARG H H 479 7.645 7.484 0.161 1
1 1812 . 12 2 2 B 23 23 ARG HA H 479 4.211 3.887 0.324 1
1 1817 . 12 2 2 B 23 23 ARG C C 479 174.086 175.143 -1.057 1
1 1818 . 12 2 2 B 23 23 ARG CA C 479 53.836 58.556 -4.720 1
1 1819 . 12 2 2 B 23 23 ARG CB C 479 27.401 28.789 -1.388 1
1 1822 . 12 2 2 B 23 23 ARG N N 479 117.484 114.506 2.978 1
1 1823 . 12 2 2 B 24 24 GLY H H 480 7.961 7.381 0.580 1
1 1824 . 12 2 2 B 24 24 GLY HA2 H 480 3.909 4.051 -0.142 1
1 1825 . 12 2 2 B 24 24 GLY HA3 H 480 3.909 4.054 -0.145 1
1 1826 . 12 2 2 B 24 24 GLY C C 480 171.195 171.757 -0.562 1
1 1827 . 12 2 2 B 24 24 GLY CA C 480 42.457 45.940 -3.483 1
1 1828 . 12 2 2 B 24 24 GLY N N 480 107.622 103.520 4.102 1
1 1829 . 12 2 2 B 25 25 GLU H H 481 8.163 8.864 -0.701 1
1 1830 . 12 2 2 B 25 25 GLU HA H 481 4.269 4.840 -0.571 1
1 1834 . 12 2 2 B 25 25 GLU C C 481 174.077 176.522 -2.445 1
1 1835 . 12 2 2 B 25 25 GLU CA C 481 53.780 55.226 -1.446 1
1 1836 . 12 2 2 B 25 25 GLU CB C 481 27.272 32.842 -5.570 1
1 1838 . 12 2 2 B 25 25 GLU N N 481 120.497 120.668 -0.171 1
1 1839 . 12 2 2 B 26 26 GLY H H 482 8.350 8.626 -0.276 1
1 1840 . 12 2 2 B 26 26 GLY HA2 H 482 3.902 3.944 -0.042 1
1 1841 . 12 2 2 B 26 26 GLY HA3 H 482 3.902 3.945 -0.043 1
1 1842 . 12 2 2 B 26 26 GLY C C 482 171.213 173.692 -2.479 1
1 1843 . 12 2 2 B 26 26 GLY CA C 482 42.485 45.599 -3.114 1
1 1844 . 12 2 2 B 26 26 GLY N N 482 108.850 110.785 -1.935 1
1 1845 . 12 2 2 B 27 27 GLU H H 483 8.142 7.871 0.271 1
1 1846 . 12 2 2 B 27 27 GLU HA H 483 4.132 4.663 -0.531 1
1 1850 . 12 2 2 B 27 27 GLU C C 483 174.078 177.081 -3.003 1
1 1851 . 12 2 2 B 27 27 GLU CA C 483 54.039 54.773 -0.734 1
1 1852 . 12 2 2 B 27 27 GLU CB C 483 27.066 31.888 -4.822 1
1 1854 . 12 2 2 B 27 27 GLU N N 483 120.369 119.975 0.394 1
1 1855 . 12 2 2 B 28 28 MET H H 484 8.348 8.995 -0.647 1
1 1856 . 12 2 2 B 28 28 MET HA H 484 4.175 4.213 -0.038 1
1 1863 . 12 2 2 B 28 28 MET C C 484 173.796 178.608 -4.812 1
1 1864 . 12 2 2 B 28 28 MET CA C 484 53.324 58.186 -4.862 1
1 1865 . 12 2 2 B 28 28 MET CB C 484 29.849 31.208 -1.359 1
1 1868 . 12 2 2 B 28 28 MET N N 484 120.436 122.831 -2.395 1
1 1869 . 12 2 2 B 29 29 SER H H 485 8.125 8.118 0.007 1
1 1870 . 12 2 2 B 29 29 SER HA H 485 4.338 4.333 0.005 1
1 1873 . 12 2 2 B 29 29 SER C C 485 171.585 175.374 -3.789 1
1 1874 . 12 2 2 B 29 29 SER CA C 485 56.067 62.008 -5.941 1
1 1875 . 12 2 2 B 29 29 SER CB C 485 60.603 63.153 -2.550 1
1 1876 . 12 2 2 B 29 29 SER N N 485 115.589 116.505 -0.916 1
1 1877 . 12 2 2 B 30 30 LYS H H 486 7.986 7.637 0.349 1
1 1878 . 12 2 2 B 30 30 LYS HA H 486 4.220 4.759 -0.539 1
1 1883 . 12 2 2 B 30 30 LYS C C 486 173.803 176.752 -2.949 1
1 1884 . 12 2 2 B 30 30 LYS CA C 486 53.958 55.925 -1.967 1
1 1885 . 12 2 2 B 30 30 LYS CB C 486 30.005 31.794 -1.789 1
1 1889 . 12 2 2 B 30 30 LYS N N 486 122.255 118.043 4.212 1
1 1890 . 12 2 2 B 31 31 SER H H 487 7.972 8.800 -0.828 1
1 1891 . 12 2 2 B 31 31 SER HA H 487 3.676 4.181 -0.505 1
1 1894 . 12 2 2 B 31 31 SER C C 487 171.460 173.968 -2.508 1
1 1895 . 12 2 2 B 31 31 SER CA C 487 55.826 61.411 -5.585 1
1 1896 . 12 2 2 B 31 31 SER CB C 487 61.064 63.800 -2.736 1
1 1897 . 12 2 2 B 31 31 SER N N 487 114.856 117.881 -3.025 1
1 1898 . 12 2 2 B 32 32 LEU H H 488 8.017 7.526 0.491 1
1 1899 . 12 2 2 B 32 32 LEU HA H 488 4.300 4.299 0.001 1
1 1909 . 12 2 2 B 32 32 LEU C C 488 174.074 176.133 -2.059 1
1 1910 . 12 2 2 B 32 32 LEU CA C 488 53.057 54.058 -1.001 1
1 1911 . 12 2 2 B 32 32 LEU CB C 488 39.082 43.070 -3.988 1
1 1914 . 12 2 2 B 32 32 LEU N N 488 123.172 113.917 9.255 1
1 1915 . 12 2 2 B 33 33 TRP H H 489 7.636 8.569 -0.933 1
1 1916 . 12 2 2 B 33 33 TRP HA H 489 4.124 4.320 -0.196 1
1 1923 . 12 2 2 B 33 33 TRP C C 489 172.511 176.696 -4.185 1
1 1924 . 12 2 2 B 33 33 TRP CA C 489 53.958 60.209 -6.251 1
1 1925 . 12 2 2 B 33 33 TRP CB C 489 26.283 28.200 -1.917 1
1 1927 . 12 2 2 B 33 33 TRP N N 489 117.409 119.295 -1.886 1
1 1929 . 12 2 2 B 34 34 PHE H H 490 7.377 8.941 -1.564 1
1 1930 . 12 2 2 B 34 34 PHE HA H 490 4.325 4.357 -0.032 1
1 1937 . 12 2 2 B 34 34 PHE C C 490 172.418 175.911 -3.493 1
1 1938 . 12 2 2 B 34 34 PHE CA C 490 55.014 60.850 -5.836 1
1 1939 . 12 2 2 B 34 34 PHE CB C 490 36.680 38.196 -1.516 1
1 1942 . 12 2 2 B 34 34 PHE N N 490 119.308 118.454 0.854 1
1 1943 . 12 2 2 B 35 35 LYS H H 491 7.864 6.637 1.227 1
1 1944 . 12 2 2 B 35 35 LYS HA H 491 4.195 3.566 0.629 1
1 1950 . 12 2 2 B 35 35 LYS C C 491 172.483 176.464 -3.981 1
1 1951 . 12 2 2 B 35 35 LYS CA C 491 53.521 57.057 -3.536 1
1 1952 . 12 2 2 B 35 35 LYS CB C 491 30.222 30.802 -0.580 1
1 1956 . 12 2 2 B 35 35 LYS N N 491 123.484 114.574 8.910 1
1 1575 . 13 2 2 B 2 2 SER H H 458 8.193 8.704 -0.511 1
1 1577 . 13 2 2 B 2 2 SER C C 458 172.550 175.036 -2.486 1
1 1578 . 13 2 2 B 2 2 SER CA C 458 55.709 59.173 -3.464 1
1 1579 . 13 2 2 B 2 2 SER CB C 458 61.137 62.179 -1.042 1
1 1580 . 13 2 2 B 2 2 SER N N 458 120.637 115.589 5.048 1
1 1581 . 13 2 2 B 3 3 ARG H H 459 8.654 8.089 0.565 1
1 1582 . 13 2 2 B 3 3 ARG HA H 459 3.838 4.095 -0.257 1
1 1584 . 13 2 2 B 3 3 ARG C C 459 174.192 177.948 -3.756 1
1 1585 . 13 2 2 B 3 3 ARG CA C 459 55.993 58.683 -2.690 1
1 1586 . 13 2 2 B 3 3 ARG CB C 459 27.411 30.306 -2.895 1
1 1588 . 13 2 2 B 3 3 ARG N N 459 125.365 119.761 5.604 1
1 1589 . 13 2 2 B 4 4 ALA H H 460 8.193 8.040 0.153 1
1 1590 . 13 2 2 B 4 4 ALA HA H 460 4.164 4.025 0.139 1
1 1594 . 13 2 2 B 4 4 ALA C C 460 176.557 178.962 -2.405 1
1 1595 . 13 2 2 B 4 4 ALA CA C 460 52.358 54.215 -1.857 1
1 1596 . 13 2 2 B 4 4 ALA CB C 460 15.958 18.891 -2.933 1
1 1597 . 13 2 2 B 4 4 ALA N N 460 120.862 122.137 -1.275 1
1 1598 . 13 2 2 B 5 5 LYS H H 461 7.900 7.961 -0.061 1
1 1599 . 13 2 2 B 5 5 LYS HA H 461 4.185 4.104 0.081 1
1 1602 . 13 2 2 B 5 5 LYS C C 461 175.175 178.808 -3.633 1
1 1603 . 13 2 2 B 5 5 LYS CA C 461 56.959 60.054 -3.095 1
1 1604 . 13 2 2 B 5 5 LYS CB C 461 28.819 32.509 -3.690 1
1 1606 . 13 2 2 B 5 5 LYS N N 461 118.064 118.940 -0.876 1
1 1607 . 13 2 2 B 6 6 ALA H H 462 7.778 8.070 -0.292 1
1 1608 . 13 2 2 B 6 6 ALA HA H 462 4.060 4.123 -0.063 1
1 1612 . 13 2 2 B 6 6 ALA C C 462 178.002 180.263 -2.261 1
1 1613 . 13 2 2 B 6 6 ALA CA C 462 52.150 55.278 -3.128 1
1 1614 . 13 2 2 B 6 6 ALA CB C 462 14.865 18.216 -3.351 1
1 1615 . 13 2 2 B 6 6 ALA N N 462 120.253 120.598 -0.345 1
1 1616 . 13 2 2 B 7 7 ASN H H 463 8.372 8.291 0.081 1
1 1617 . 13 2 2 B 7 7 ASN HA H 463 4.459 4.452 0.007 1
1 1620 . 13 2 2 B 7 7 ASN C C 463 175.009 177.962 -2.953 1
1 1621 . 13 2 2 B 7 7 ASN CA C 463 53.033 57.379 -4.346 1
1 1622 . 13 2 2 B 7 7 ASN CB C 463 35.500 38.783 -3.283 1
1 1623 . 13 2 2 B 7 7 ASN N N 463 118.243 115.797 2.446 1
1 1624 . 13 2 2 B 8 8 TRP H H 464 8.533 8.742 -0.209 1
1 1625 . 13 2 2 B 8 8 TRP HA H 464 4.203 4.092 0.111 1
1 1632 . 13 2 2 B 8 8 TRP C C 464 175.578 178.315 -2.737 1
1 1633 . 13 2 2 B 8 8 TRP CA C 464 58.190 61.140 -2.950 1
1 1634 . 13 2 2 B 8 8 TRP CB C 464 26.538 29.727 -3.189 1
1 1636 . 13 2 2 B 8 8 TRP N N 464 121.805 123.483 -1.678 1
1 1638 . 13 2 2 B 9 9 LEU H H 465 8.264 8.687 -0.423 1
1 1639 . 13 2 2 B 9 9 LEU HA H 465 4.172 3.889 0.283 1
1 1649 . 13 2 2 B 9 9 LEU C C 465 176.568 178.986 -2.418 1
1 1650 . 13 2 2 B 9 9 LEU CA C 465 55.499 58.257 -2.758 1
1 1651 . 13 2 2 B 9 9 LEU CB C 465 38.641 41.718 -3.077 1
1 1654 . 13 2 2 B 9 9 LEU N N 465 118.722 120.054 -1.332 1
1 1655 . 13 2 2 B 10 10 ARG H H 466 8.264 8.236 0.028 1
1 1656 . 13 2 2 B 10 10 ARG HA H 466 4.128 4.080 0.048 1
1 1660 . 13 2 2 B 10 10 ARG C C 466 175.900 178.957 -3.057 1
1 1661 . 13 2 2 B 10 10 ARG CA C 466 56.888 59.041 -2.153 1
1 1662 . 13 2 2 B 10 10 ARG CB C 466 27.368 29.856 -2.488 1
1 1664 . 13 2 2 B 10 10 ARG N N 466 120.684 117.921 2.763 1
1 1665 . 13 2 2 B 11 11 ALA H H 467 8.067 7.979 0.088 1
1 1666 . 13 2 2 B 11 11 ALA HA H 467 3.978 4.049 -0.071 1
1 1670 . 13 2 2 B 11 11 ALA C C 467 175.888 180.322 -4.434 1
1 1671 . 13 2 2 B 11 11 ALA CA C 467 52.558 55.087 -2.529 1
1 1672 . 13 2 2 B 11 11 ALA CB C 467 16.041 18.909 -2.868 1
1 1673 . 13 2 2 B 11 11 ALA N N 467 121.482 122.106 -0.624 1
1 1674 . 13 2 2 B 12 12 PHE H H 468 9.052 7.888 1.164 1
1 1675 . 13 2 2 B 12 12 PHE HA H 468 4.350 4.387 -0.037 1
1 1682 . 13 2 2 B 12 12 PHE C C 468 173.951 178.455 -4.504 1
1 1683 . 13 2 2 B 12 12 PHE CA C 468 58.326 61.426 -3.100 1
1 1684 . 13 2 2 B 12 12 PHE CB C 468 37.668 38.133 -0.465 1
1 1687 . 13 2 2 B 12 12 PHE N N 468 117.615 116.326 1.289 1
1 1688 . 13 2 2 B 13 13 ASN H H 469 8.602 8.450 0.152 1
1 1689 . 13 2 2 B 13 13 ASN HA H 469 4.166 4.351 -0.185 1
1 1692 . 13 2 2 B 13 13 ASN C C 469 174.785 177.577 -2.792 1
1 1693 . 13 2 2 B 13 13 ASN CA C 469 53.709 56.603 -2.894 1
1 1694 . 13 2 2 B 13 13 ASN CB C 469 35.325 38.842 -3.517 1
1 1695 . 13 2 2 B 13 13 ASN N N 469 116.425 118.415 -1.990 1
1 1696 . 13 2 2 B 14 14 LYS H H 470 8.076 8.141 -0.065 1
1 1697 . 13 2 2 B 14 14 LYS HA H 470 4.045 4.038 0.007 1
1 1705 . 13 2 2 B 14 14 LYS C C 470 176.194 179.402 -3.208 1
1 1706 . 13 2 2 B 14 14 LYS CA C 470 57.174 59.398 -2.224 1
1 1707 . 13 2 2 B 14 14 LYS CB C 470 30.526 32.457 -1.931 1
1 1710 . 13 2 2 B 14 14 LYS N N 470 119.958 119.406 0.552 1
1 1711 . 13 2 2 B 15 15 VAL H H 471 8.410 7.550 0.860 1
1 1712 . 13 2 2 B 15 15 VAL HA H 471 3.532 3.819 -0.287 1
1 1720 . 13 2 2 B 15 15 VAL C C 471 174.970 177.920 -2.950 1
1 1721 . 13 2 2 B 15 15 VAL CA C 471 64.190 65.743 -1.553 1
1 1722 . 13 2 2 B 15 15 VAL CB C 471 28.483 31.553 -3.070 1
1 1725 . 13 2 2 B 15 15 VAL N N 471 121.488 116.202 5.286 1
1 1726 . 13 2 2 B 16 16 ARG H H 472 8.639 8.137 0.502 1
1 1727 . 13 2 2 B 16 16 ARG HA H 472 3.763 3.940 -0.177 1
1 1733 . 13 2 2 B 16 16 ARG C C 472 175.887 178.498 -2.611 1
1 1734 . 13 2 2 B 16 16 ARG CA C 472 56.805 59.716 -2.911 1
1 1735 . 13 2 2 B 16 16 ARG CB C 472 26.506 29.938 -3.432 1
1 1738 . 13 2 2 B 16 16 ARG N N 472 119.209 122.053 -2.844 1
1 1739 . 13 2 2 B 17 17 MET H H 473 7.701 8.100 -0.399 1
1 1740 . 13 2 2 B 17 17 MET HA H 473 4.105 4.258 -0.153 1
1 1747 . 13 2 2 B 17 17 MET C C 473 175.604 177.949 -2.345 1
1 1748 . 13 2 2 B 17 17 MET CA C 473 55.673 58.133 -2.460 1
1 1749 . 13 2 2 B 17 17 MET CB C 473 29.324 32.021 -2.697 1
1 1751 . 13 2 2 B 17 17 MET N N 473 117.427 119.203 -1.776 1
1 1752 . 13 2 2 B 18 18 GLN H H 474 7.733 7.984 -0.251 1
1 1753 . 13 2 2 B 18 18 GLN HA H 474 4.049 4.087 -0.038 1
1 1758 . 13 2 2 B 18 18 GLN C C 474 175.931 178.071 -2.140 1
1 1759 . 13 2 2 B 18 18 GLN CA C 474 55.976 58.639 -2.663 1
1 1760 . 13 2 2 B 18 18 GLN CB C 474 24.407 27.502 -3.095 1
1 1762 . 13 2 2 B 18 18 GLN N N 474 119.752 118.020 1.732 1
1 1763 . 13 2 2 B 19 19 LEU H H 475 8.151 8.400 -0.249 1
1 1764 . 13 2 2 B 19 19 LEU HA H 475 4.013 3.925 0.088 1
1 1774 . 13 2 2 B 19 19 LEU C C 475 176.150 179.471 -3.321 1
1 1775 . 13 2 2 B 19 19 LEU CA C 475 54.386 58.070 -3.684 1
1 1776 . 13 2 2 B 19 19 LEU CB C 475 39.047 41.472 -2.425 1
1 1780 . 13 2 2 B 19 19 LEU N N 475 120.063 121.003 -0.940 1
1 1781 . 13 2 2 B 20 20 GLN H H 476 7.911 8.280 -0.369 1
1 1782 . 13 2 2 B 20 20 GLN HA H 476 3.980 4.043 -0.063 1
1 1787 . 13 2 2 B 20 20 GLN C C 476 175.284 179.010 -3.726 1
1 1788 . 13 2 2 B 20 20 GLN CA C 476 55.365 59.207 -3.842 1
1 1789 . 13 2 2 B 20 20 GLN CB C 476 25.474 27.974 -2.500 1
1 1791 . 13 2 2 B 20 20 GLN N N 476 118.054 118.323 -0.269 1
1 1792 . 13 2 2 B 21 21 GLU H H 477 7.975 8.566 -0.591 1
1 1793 . 13 2 2 B 21 21 GLU HA H 477 4.016 4.015 0.001 1
1 1797 . 13 2 2 B 21 21 GLU C C 477 174.854 178.515 -3.661 1
1 1798 . 13 2 2 B 21 21 GLU CA C 477 55.490 59.473 -3.983 1
1 1799 . 13 2 2 B 21 21 GLU CB C 477 26.666 29.378 -2.712 1
1 1801 . 13 2 2 B 21 21 GLU N N 477 119.803 119.804 -0.001 1
1 1802 . 13 2 2 B 22 22 ALA H H 478 7.726 7.512 0.214 1
1 1803 . 13 2 2 B 22 22 ALA HA H 478 4.190 4.079 0.111 1
1 1807 . 13 2 2 B 22 22 ALA C C 478 175.491 178.225 -2.734 1
1 1808 . 13 2 2 B 22 22 ALA CA C 478 50.517 55.242 -4.725 1
1 1809 . 13 2 2 B 22 22 ALA CB C 478 15.961 18.291 -2.330 1
1 1810 . 13 2 2 B 22 22 ALA N N 478 121.648 121.117 0.531 1
1 1811 . 13 2 2 B 23 23 ARG H H 479 7.645 7.611 0.034 1
1 1812 . 13 2 2 B 23 23 ARG HA H 479 4.211 4.182 0.029 1
1 1817 . 13 2 2 B 23 23 ARG C C 479 174.086 177.260 -3.174 1
1 1818 . 13 2 2 B 23 23 ARG CA C 479 53.836 57.743 -3.907 1
1 1819 . 13 2 2 B 23 23 ARG CB C 479 27.401 30.507 -3.106 1
1 1822 . 13 2 2 B 23 23 ARG N N 479 117.484 118.241 -0.757 1
1 1823 . 13 2 2 B 24 24 GLY H H 480 7.961 9.063 -1.102 1
1 1824 . 13 2 2 B 24 24 GLY HA2 H 480 3.909 3.996 -0.087 1
1 1825 . 13 2 2 B 24 24 GLY HA3 H 480 3.909 3.998 -0.089 1
1 1826 . 13 2 2 B 24 24 GLY C C 480 171.195 175.133 -3.938 1
1 1827 . 13 2 2 B 24 24 GLY CA C 480 42.457 46.303 -3.846 1
1 1828 . 13 2 2 B 24 24 GLY N N 480 107.622 112.040 -4.418 1
1 1829 . 13 2 2 B 25 25 GLU H H 481 8.163 8.428 -0.265 1
1 1830 . 13 2 2 B 25 25 GLU HA H 481 4.269 4.350 -0.081 1
1 1834 . 13 2 2 B 25 25 GLU C C 481 174.077 176.657 -2.580 1
1 1835 . 13 2 2 B 25 25 GLU CA C 481 53.780 56.835 -3.055 1
1 1836 . 13 2 2 B 25 25 GLU CB C 481 27.272 29.830 -2.558 1
1 1838 . 13 2 2 B 25 25 GLU N N 481 120.497 119.459 1.038 1
1 1839 . 13 2 2 B 26 26 GLY H H 482 8.350 8.008 0.342 1
1 1840 . 13 2 2 B 26 26 GLY HA2 H 482 3.902 3.897 0.005 1
1 1841 . 13 2 2 B 26 26 GLY HA3 H 482 3.902 3.898 0.004 1
1 1842 . 13 2 2 B 26 26 GLY C C 482 171.213 173.878 -2.665 1
1 1843 . 13 2 2 B 26 26 GLY CA C 482 42.485 45.341 -2.856 1
1 1844 . 13 2 2 B 26 26 GLY N N 482 108.850 107.913 0.937 1
1 1845 . 13 2 2 B 27 27 GLU H H 483 8.142 7.759 0.383 1
1 1846 . 13 2 2 B 27 27 GLU HA H 483 4.132 4.603 -0.471 1
1 1850 . 13 2 2 B 27 27 GLU C C 483 174.078 176.265 -2.187 1
1 1851 . 13 2 2 B 27 27 GLU CA C 483 54.039 54.736 -0.697 1
1 1852 . 13 2 2 B 27 27 GLU CB C 483 27.066 31.147 -4.081 1
1 1854 . 13 2 2 B 27 27 GLU N N 483 120.369 120.061 0.308 1
1 1855 . 13 2 2 B 28 28 MET H H 484 8.348 8.492 -0.144 1
1 1856 . 13 2 2 B 28 28 MET HA H 484 4.175 4.900 -0.725 1
1 1863 . 13 2 2 B 28 28 MET C C 484 173.796 176.575 -2.779 1
1 1864 . 13 2 2 B 28 28 MET CA C 484 53.324 54.006 -0.682 1
1 1865 . 13 2 2 B 28 28 MET CB C 484 29.849 32.519 -2.670 1
1 1868 . 13 2 2 B 28 28 MET N N 484 120.436 121.530 -1.094 1
1 1869 . 13 2 2 B 29 29 SER H H 485 8.125 8.562 -0.437 1
1 1870 . 13 2 2 B 29 29 SER HA H 485 4.338 4.443 -0.105 1
1 1873 . 13 2 2 B 29 29 SER C C 485 171.585 174.959 -3.374 1
1 1874 . 13 2 2 B 29 29 SER CA C 485 56.067 58.697 -2.630 1
1 1875 . 13 2 2 B 29 29 SER CB C 485 60.603 63.792 -3.189 1
1 1876 . 13 2 2 B 29 29 SER N N 485 115.589 118.405 -2.816 1
1 1877 . 13 2 2 B 30 30 LYS H H 486 7.986 8.642 -0.656 1
1 1878 . 13 2 2 B 30 30 LYS HA H 486 4.220 4.400 -0.180 1
1 1883 . 13 2 2 B 30 30 LYS C C 486 173.803 175.859 -2.056 1
1 1884 . 13 2 2 B 30 30 LYS CA C 486 53.958 57.276 -3.318 1
1 1885 . 13 2 2 B 30 30 LYS CB C 486 30.005 32.950 -2.945 1
1 1889 . 13 2 2 B 30 30 LYS N N 486 122.255 123.571 -1.316 1
1 1890 . 13 2 2 B 31 31 SER H H 487 7.972 8.696 -0.724 1
1 1891 . 13 2 2 B 31 31 SER HA H 487 3.676 4.500 -0.824 1
1 1894 . 13 2 2 B 31 31 SER C C 487 171.460 174.869 -3.409 1
1 1895 . 13 2 2 B 31 31 SER CA C 487 55.826 59.464 -3.638 1
1 1896 . 13 2 2 B 31 31 SER CB C 487 61.064 64.446 -3.382 1
1 1897 . 13 2 2 B 31 31 SER N N 487 114.856 116.436 -1.580 1
1 1898 . 13 2 2 B 32 32 LEU H H 488 8.017 7.963 0.054 1
1 1899 . 13 2 2 B 32 32 LEU HA H 488 4.300 3.673 0.627 1
1 1909 . 13 2 2 B 32 32 LEU C C 488 174.074 176.747 -2.673 1
1 1910 . 13 2 2 B 32 32 LEU CA C 488 53.057 57.676 -4.619 1
1 1911 . 13 2 2 B 32 32 LEU CB C 488 39.082 40.557 -1.475 1
1 1914 . 13 2 2 B 32 32 LEU N N 488 123.172 119.063 4.109 1
1 1915 . 13 2 2 B 33 33 TRP H H 489 7.636 7.381 0.255 1
1 1916 . 13 2 2 B 33 33 TRP HA H 489 4.124 4.871 -0.747 1
1 1923 . 13 2 2 B 33 33 TRP C C 489 172.511 176.150 -3.639 1
1 1924 . 13 2 2 B 33 33 TRP CA C 489 53.958 56.515 -2.557 1
1 1925 . 13 2 2 B 33 33 TRP CB C 489 26.283 31.133 -4.850 1
1 1927 . 13 2 2 B 33 33 TRP N N 489 117.409 117.319 0.090 1
1 1929 . 13 2 2 B 34 34 PHE H H 490 7.377 7.977 -0.600 1
1 1930 . 13 2 2 B 34 34 PHE HA H 490 4.325 4.627 -0.302 1
1 1937 . 13 2 2 B 34 34 PHE C C 490 172.418 176.731 -4.313 1
1 1938 . 13 2 2 B 34 34 PHE CA C 490 55.014 58.864 -3.850 1
1 1939 . 13 2 2 B 34 34 PHE CB C 490 36.680 39.167 -2.487 1
1 1942 . 13 2 2 B 34 34 PHE N N 490 119.308 120.450 -1.142 1
1 1943 . 13 2 2 B 35 35 LYS H H 491 7.864 8.004 -0.140 1
1 1944 . 13 2 2 B 35 35 LYS HA H 491 4.195 4.037 0.158 1
1 1950 . 13 2 2 B 35 35 LYS C C 491 172.483 179.999 -7.516 1
1 1951 . 13 2 2 B 35 35 LYS CA C 491 53.521 59.307 -5.786 1
1 1952 . 13 2 2 B 35 35 LYS CB C 491 30.222 32.144 -1.922 1
1 1956 . 13 2 2 B 35 35 LYS N N 491 123.484 119.981 3.503 1
1 1575 . 14 2 2 B 2 2 SER H H 458 8.193 8.694 -0.501 1
1 1577 . 14 2 2 B 2 2 SER C C 458 172.550 175.169 -2.619 1
1 1578 . 14 2 2 B 2 2 SER CA C 458 55.709 62.441 -6.732 1
1 1579 . 14 2 2 B 2 2 SER CB C 458 61.137 63.148 -2.011 1
1 1580 . 14 2 2 B 2 2 SER N N 458 120.637 119.811 0.826 1
1 1581 . 14 2 2 B 3 3 ARG H H 459 8.654 7.423 1.231 1
1 1582 . 14 2 2 B 3 3 ARG HA H 459 3.838 4.111 -0.273 1
1 1584 . 14 2 2 B 3 3 ARG C C 459 174.192 177.311 -3.119 1
1 1585 . 14 2 2 B 3 3 ARG CA C 459 55.993 55.776 0.217 1
1 1586 . 14 2 2 B 3 3 ARG CB C 459 27.411 31.527 -4.116 1
1 1588 . 14 2 2 B 3 3 ARG N N 459 125.365 120.947 4.418 1
1 1589 . 14 2 2 B 4 4 ALA H H 460 8.193 8.939 -0.746 1
1 1590 . 14 2 2 B 4 4 ALA HA H 460 4.164 3.802 0.362 1
1 1594 . 14 2 2 B 4 4 ALA C C 460 176.557 179.423 -2.866 1
1 1595 . 14 2 2 B 4 4 ALA CA C 460 52.358 55.239 -2.881 1
1 1596 . 14 2 2 B 4 4 ALA CB C 460 15.958 18.098 -2.140 1
1 1597 . 14 2 2 B 4 4 ALA N N 460 120.862 128.140 -7.278 1
1 1598 . 14 2 2 B 5 5 LYS H H 461 7.900 8.145 -0.245 1
1 1599 . 14 2 2 B 5 5 LYS HA H 461 4.185 4.048 0.137 1
1 1602 . 14 2 2 B 5 5 LYS C C 461 175.175 178.863 -3.688 1
1 1603 . 14 2 2 B 5 5 LYS CA C 461 56.959 59.939 -2.980 1
1 1604 . 14 2 2 B 5 5 LYS CB C 461 28.819 32.430 -3.611 1
1 1606 . 14 2 2 B 5 5 LYS N N 461 118.064 118.731 -0.667 1
1 1607 . 14 2 2 B 6 6 ALA H H 462 7.778 8.061 -0.283 1
1 1608 . 14 2 2 B 6 6 ALA HA H 462 4.060 4.107 -0.047 1
1 1612 . 14 2 2 B 6 6 ALA C C 462 178.002 180.290 -2.288 1
1 1613 . 14 2 2 B 6 6 ALA CA C 462 52.150 55.297 -3.147 1
1 1614 . 14 2 2 B 6 6 ALA CB C 462 14.865 18.166 -3.301 1
1 1615 . 14 2 2 B 6 6 ALA N N 462 120.253 120.576 -0.323 1
1 1616 . 14 2 2 B 7 7 ASN H H 463 8.372 8.247 0.125 1
1 1617 . 14 2 2 B 7 7 ASN HA H 463 4.459 4.432 0.027 1
1 1620 . 14 2 2 B 7 7 ASN C C 463 175.009 177.976 -2.967 1
1 1621 . 14 2 2 B 7 7 ASN CA C 463 53.033 56.754 -3.721 1
1 1622 . 14 2 2 B 7 7 ASN CB C 463 35.500 38.092 -2.592 1
1 1623 . 14 2 2 B 7 7 ASN N N 463 118.243 115.862 2.381 1
1 1624 . 14 2 2 B 8 8 TRP H H 464 8.533 8.723 -0.190 1
1 1625 . 14 2 2 B 8 8 TRP HA H 464 4.203 3.987 0.216 1
1 1632 . 14 2 2 B 8 8 TRP C C 464 175.578 178.359 -2.781 1
1 1633 . 14 2 2 B 8 8 TRP CA C 464 58.190 61.118 -2.928 1
1 1634 . 14 2 2 B 8 8 TRP CB C 464 26.538 29.297 -2.759 1
1 1636 . 14 2 2 B 8 8 TRP N N 464 121.805 123.410 -1.605 1
1 1638 . 14 2 2 B 9 9 LEU H H 465 8.264 8.569 -0.305 1
1 1639 . 14 2 2 B 9 9 LEU HA H 465 4.172 3.811 0.361 1
1 1649 . 14 2 2 B 9 9 LEU C C 465 176.568 179.153 -2.585 1
1 1650 . 14 2 2 B 9 9 LEU CA C 465 55.499 58.174 -2.675 1
1 1651 . 14 2 2 B 9 9 LEU CB C 465 38.641 41.616 -2.975 1
1 1654 . 14 2 2 B 9 9 LEU N N 465 118.722 119.985 -1.263 1
1 1655 . 14 2 2 B 10 10 ARG H H 466 8.264 8.185 0.079 1
1 1656 . 14 2 2 B 10 10 ARG HA H 466 4.128 4.129 -0.001 1
1 1660 . 14 2 2 B 10 10 ARG C C 466 175.900 178.982 -3.082 1
1 1661 . 14 2 2 B 10 10 ARG CA C 466 56.888 59.102 -2.214 1
1 1662 . 14 2 2 B 10 10 ARG CB C 466 27.368 29.829 -2.461 1
1 1664 . 14 2 2 B 10 10 ARG N N 466 120.684 117.928 2.756 1
1 1665 . 14 2 2 B 11 11 ALA H H 467 8.067 8.202 -0.135 1
1 1666 . 14 2 2 B 11 11 ALA HA H 467 3.978 4.138 -0.160 1
1 1670 . 14 2 2 B 11 11 ALA C C 467 175.888 180.480 -4.592 1
1 1671 . 14 2 2 B 11 11 ALA CA C 467 52.558 55.209 -2.651 1
1 1672 . 14 2 2 B 11 11 ALA CB C 467 16.041 19.161 -3.120 1
1 1673 . 14 2 2 B 11 11 ALA N N 467 121.482 122.310 -0.828 1
1 1674 . 14 2 2 B 12 12 PHE H H 468 9.052 8.063 0.989 1
1 1675 . 14 2 2 B 12 12 PHE HA H 468 4.350 4.414 -0.064 1
1 1682 . 14 2 2 B 12 12 PHE C C 468 173.951 178.467 -4.516 1
1 1683 . 14 2 2 B 12 12 PHE CA C 468 58.326 61.565 -3.239 1
1 1684 . 14 2 2 B 12 12 PHE CB C 468 37.668 38.129 -0.461 1
1 1687 . 14 2 2 B 12 12 PHE N N 468 117.615 116.346 1.269 1
1 1688 . 14 2 2 B 13 13 ASN H H 469 8.602 8.427 0.175 1
1 1689 . 14 2 2 B 13 13 ASN HA H 469 4.166 4.381 -0.215 1
1 1692 . 14 2 2 B 13 13 ASN C C 469 174.785 177.535 -2.750 1
1 1693 . 14 2 2 B 13 13 ASN CA C 469 53.709 56.611 -2.902 1
1 1694 . 14 2 2 B 13 13 ASN CB C 469 35.325 38.866 -3.541 1
1 1695 . 14 2 2 B 13 13 ASN N N 469 116.425 118.458 -2.033 1
1 1696 . 14 2 2 B 14 14 LYS H H 470 8.076 8.199 -0.123 1
1 1697 . 14 2 2 B 14 14 LYS HA H 470 4.045 4.070 -0.025 1
1 1705 . 14 2 2 B 14 14 LYS C C 470 176.194 179.373 -3.179 1
1 1706 . 14 2 2 B 14 14 LYS CA C 470 57.174 59.318 -2.144 1
1 1707 . 14 2 2 B 14 14 LYS CB C 470 30.526 32.624 -2.098 1
1 1710 . 14 2 2 B 14 14 LYS N N 470 119.958 119.322 0.636 1
1 1711 . 14 2 2 B 15 15 VAL H H 471 8.410 7.538 0.872 1
1 1712 . 14 2 2 B 15 15 VAL HA H 471 3.532 3.812 -0.280 1
1 1720 . 14 2 2 B 15 15 VAL C C 471 174.970 178.129 -3.159 1
1 1721 . 14 2 2 B 15 15 VAL CA C 471 64.190 65.664 -1.474 1
1 1722 . 14 2 2 B 15 15 VAL CB C 471 28.483 31.528 -3.045 1
1 1725 . 14 2 2 B 15 15 VAL N N 471 121.488 116.049 5.439 1
1 1726 . 14 2 2 B 16 16 ARG H H 472 8.639 8.292 0.347 1
1 1727 . 14 2 2 B 16 16 ARG HA H 472 3.763 3.916 -0.153 1
1 1733 . 14 2 2 B 16 16 ARG C C 472 175.887 178.932 -3.045 1
1 1734 . 14 2 2 B 16 16 ARG CA C 472 56.805 60.166 -3.361 1
1 1735 . 14 2 2 B 16 16 ARG CB C 472 26.506 29.929 -3.423 1
1 1738 . 14 2 2 B 16 16 ARG N N 472 119.209 121.863 -2.654 1
1 1739 . 14 2 2 B 17 17 MET H H 473 7.701 8.259 -0.558 1
1 1740 . 14 2 2 B 17 17 MET HA H 473 4.105 4.131 -0.026 1
1 1747 . 14 2 2 B 17 17 MET C C 473 175.604 177.961 -2.357 1
1 1748 . 14 2 2 B 17 17 MET CA C 473 55.673 59.305 -3.632 1
1 1749 . 14 2 2 B 17 17 MET CB C 473 29.324 32.580 -3.256 1
1 1751 . 14 2 2 B 17 17 MET N N 473 117.427 119.376 -1.949 1
1 1752 . 14 2 2 B 18 18 GLN H H 474 7.733 8.079 -0.346 1
1 1753 . 14 2 2 B 18 18 GLN HA H 474 4.049 4.072 -0.023 1
1 1758 . 14 2 2 B 18 18 GLN C C 474 175.931 177.813 -1.882 1
1 1759 . 14 2 2 B 18 18 GLN CA C 474 55.976 58.680 -2.704 1
1 1760 . 14 2 2 B 18 18 GLN CB C 474 24.407 27.881 -3.474 1
1 1762 . 14 2 2 B 18 18 GLN N N 474 119.752 118.297 1.455 1
1 1763 . 14 2 2 B 19 19 LEU H H 475 8.151 8.452 -0.301 1
1 1764 . 14 2 2 B 19 19 LEU HA H 475 4.013 3.973 0.040 1
1 1774 . 14 2 2 B 19 19 LEU C C 475 176.150 179.269 -3.119 1
1 1775 . 14 2 2 B 19 19 LEU CA C 475 54.386 57.914 -3.528 1
1 1776 . 14 2 2 B 19 19 LEU CB C 475 39.047 40.647 -1.600 1
1 1780 . 14 2 2 B 19 19 LEU N N 475 120.063 121.525 -1.462 1
1 1781 . 14 2 2 B 20 20 GLN H H 476 7.911 8.408 -0.497 1
1 1782 . 14 2 2 B 20 20 GLN HA H 476 3.980 3.976 0.004 1
1 1787 . 14 2 2 B 20 20 GLN C C 476 175.284 178.620 -3.336 1
1 1788 . 14 2 2 B 20 20 GLN CA C 476 55.365 59.092 -3.727 1
1 1789 . 14 2 2 B 20 20 GLN CB C 476 25.474 28.350 -2.876 1
1 1791 . 14 2 2 B 20 20 GLN N N 476 118.054 118.616 -0.562 1
1 1792 . 14 2 2 B 21 21 GLU H H 477 7.975 8.340 -0.365 1
1 1793 . 14 2 2 B 21 21 GLU HA H 477 4.016 4.027 -0.011 1
1 1797 . 14 2 2 B 21 21 GLU C C 477 174.854 178.320 -3.466 1
1 1798 . 14 2 2 B 21 21 GLU CA C 477 55.490 59.377 -3.887 1
1 1799 . 14 2 2 B 21 21 GLU CB C 477 26.666 29.500 -2.834 1
1 1801 . 14 2 2 B 21 21 GLU N N 477 119.803 119.348 0.455 1
1 1802 . 14 2 2 B 22 22 ALA H H 478 7.726 7.548 0.178 1
1 1803 . 14 2 2 B 22 22 ALA HA H 478 4.190 4.273 -0.083 1
1 1807 . 14 2 2 B 22 22 ALA C C 478 175.491 176.864 -1.373 1
1 1808 . 14 2 2 B 22 22 ALA CA C 478 50.517 52.875 -2.358 1
1 1809 . 14 2 2 B 22 22 ALA CB C 478 15.961 19.509 -3.548 1
1 1810 . 14 2 2 B 22 22 ALA N N 478 121.648 120.081 1.567 1
1 1811 . 14 2 2 B 23 23 ARG H H 479 7.645 7.919 -0.274 1
1 1812 . 14 2 2 B 23 23 ARG HA H 479 4.211 4.020 0.191 1
1 1817 . 14 2 2 B 23 23 ARG C C 479 174.086 176.234 -2.148 1
1 1818 . 14 2 2 B 23 23 ARG CA C 479 53.836 56.765 -2.929 1
1 1819 . 14 2 2 B 23 23 ARG CB C 479 27.401 29.128 -1.727 1
1 1822 . 14 2 2 B 23 23 ARG N N 479 117.484 115.540 1.944 1
1 1823 . 14 2 2 B 24 24 GLY H H 480 7.961 8.737 -0.776 1
1 1824 . 14 2 2 B 24 24 GLY HA2 H 480 3.909 4.083 -0.174 1
1 1825 . 14 2 2 B 24 24 GLY HA3 H 480 3.909 4.084 -0.175 1
1 1826 . 14 2 2 B 24 24 GLY C C 480 171.195 172.772 -1.577 1
1 1827 . 14 2 2 B 24 24 GLY CA C 480 42.457 44.476 -2.019 1
1 1828 . 14 2 2 B 24 24 GLY N N 480 107.622 112.420 -4.798 1
1 1829 . 14 2 2 B 25 25 GLU H H 481 8.163 8.993 -0.830 1
1 1830 . 14 2 2 B 25 25 GLU HA H 481 4.269 4.915 -0.646 1
1 1834 . 14 2 2 B 25 25 GLU C C 481 174.077 174.861 -0.784 1
1 1835 . 14 2 2 B 25 25 GLU CA C 481 53.780 54.484 -0.704 1
1 1836 . 14 2 2 B 25 25 GLU CB C 481 27.272 33.150 -5.878 1
1 1838 . 14 2 2 B 25 25 GLU N N 481 120.497 116.268 4.229 1
1 1839 . 14 2 2 B 26 26 GLY H H 482 8.350 8.942 -0.592 1
1 1840 . 14 2 2 B 26 26 GLY HA2 H 482 3.902 4.174 -0.272 1
1 1841 . 14 2 2 B 26 26 GLY HA3 H 482 3.902 4.176 -0.274 1
1 1842 . 14 2 2 B 26 26 GLY C C 482 171.213 173.279 -2.066 1
1 1843 . 14 2 2 B 26 26 GLY CA C 482 42.485 44.380 -1.895 1
1 1844 . 14 2 2 B 26 26 GLY N N 482 108.850 109.450 -0.600 1
1 1845 . 14 2 2 B 27 27 GLU H H 483 8.142 8.468 -0.326 1
1 1846 . 14 2 2 B 27 27 GLU HA H 483 4.132 5.118 -0.986 1
1 1850 . 14 2 2 B 27 27 GLU C C 483 174.078 175.268 -1.190 1
1 1851 . 14 2 2 B 27 27 GLU CA C 483 54.039 54.817 -0.778 1
1 1852 . 14 2 2 B 27 27 GLU CB C 483 27.066 33.979 -6.913 1
1 1854 . 14 2 2 B 27 27 GLU N N 483 120.369 120.250 0.119 1
1 1855 . 14 2 2 B 28 28 MET H H 484 8.348 8.739 -0.391 1
1 1856 . 14 2 2 B 28 28 MET HA H 484 4.175 5.057 -0.882 1
1 1863 . 14 2 2 B 28 28 MET C C 484 173.796 176.277 -2.481 1
1 1864 . 14 2 2 B 28 28 MET CA C 484 53.324 54.184 -0.860 1
1 1865 . 14 2 2 B 28 28 MET CB C 484 29.849 35.433 -5.584 1
1 1868 . 14 2 2 B 28 28 MET N N 484 120.436 122.119 -1.683 1
1 1869 . 14 2 2 B 29 29 SER H H 485 8.125 8.582 -0.457 1
1 1870 . 14 2 2 B 29 29 SER HA H 485 4.338 4.392 -0.054 1
1 1873 . 14 2 2 B 29 29 SER C C 485 171.585 173.961 -2.376 1
1 1874 . 14 2 2 B 29 29 SER CA C 485 56.067 60.886 -4.819 1
1 1875 . 14 2 2 B 29 29 SER CB C 485 60.603 63.293 -2.690 1
1 1876 . 14 2 2 B 29 29 SER N N 485 115.589 117.388 -1.799 1
1 1877 . 14 2 2 B 30 30 LYS H H 486 7.986 8.170 -0.184 1
1 1878 . 14 2 2 B 30 30 LYS HA H 486 4.220 4.724 -0.504 1
1 1883 . 14 2 2 B 30 30 LYS C C 486 173.803 176.182 -2.379 1
1 1884 . 14 2 2 B 30 30 LYS CA C 486 53.958 54.635 -0.677 1
1 1885 . 14 2 2 B 30 30 LYS CB C 486 30.005 34.610 -4.605 1
1 1889 . 14 2 2 B 30 30 LYS N N 486 122.255 119.542 2.713 1
1 1890 . 14 2 2 B 31 31 SER H H 487 7.972 8.797 -0.825 1
1 1891 . 14 2 2 B 31 31 SER HA H 487 3.676 4.241 -0.565 1
1 1894 . 14 2 2 B 31 31 SER C C 487 171.460 174.146 -2.686 1
1 1895 . 14 2 2 B 31 31 SER CA C 487 55.826 58.556 -2.730 1
1 1896 . 14 2 2 B 31 31 SER CB C 487 61.064 63.444 -2.380 1
1 1897 . 14 2 2 B 31 31 SER N N 487 114.856 118.808 -3.952 1
1 1898 . 14 2 2 B 32 32 LEU H H 488 8.017 8.409 -0.392 1
1 1899 . 14 2 2 B 32 32 LEU HA H 488 4.300 2.763 1.537 1
1 1909 . 14 2 2 B 32 32 LEU C C 488 174.074 174.812 -0.738 1
1 1910 . 14 2 2 B 32 32 LEU CA C 488 53.057 56.282 -3.225 1
1 1911 . 14 2 2 B 32 32 LEU CB C 488 39.082 39.858 -0.776 1
1 1914 . 14 2 2 B 32 32 LEU N N 488 123.172 121.522 1.650 1
1 1915 . 14 2 2 B 33 33 TRP H H 489 7.636 7.268 0.368 1
1 1916 . 14 2 2 B 33 33 TRP HA H 489 4.124 4.977 -0.853 1
1 1923 . 14 2 2 B 33 33 TRP C C 489 172.511 176.552 -4.041 1
1 1924 . 14 2 2 B 33 33 TRP CA C 489 53.958 56.007 -2.049 1
1 1925 . 14 2 2 B 33 33 TRP CB C 489 26.283 31.218 -4.935 1
1 1927 . 14 2 2 B 33 33 TRP N N 489 117.409 117.387 0.022 1
1 1929 . 14 2 2 B 34 34 PHE H H 490 7.377 9.449 -2.072 1
1 1930 . 14 2 2 B 34 34 PHE HA H 490 4.325 4.453 -0.128 1
1 1937 . 14 2 2 B 34 34 PHE C C 490 172.418 175.357 -2.939 1
1 1938 . 14 2 2 B 34 34 PHE CA C 490 55.014 59.989 -4.975 1
1 1939 . 14 2 2 B 34 34 PHE CB C 490 36.680 39.046 -2.366 1
1 1942 . 14 2 2 B 34 34 PHE N N 490 119.308 120.543 -1.235 1
1 1943 . 14 2 2 B 35 35 LYS H H 491 7.864 9.097 -1.233 1
1 1944 . 14 2 2 B 35 35 LYS HA H 491 4.195 3.894 0.301 1
1 1950 . 14 2 2 B 35 35 LYS C C 491 172.483 175.710 -3.227 1
1 1951 . 14 2 2 B 35 35 LYS CA C 491 53.521 57.273 -3.752 1
1 1952 . 14 2 2 B 35 35 LYS CB C 491 30.222 29.167 1.055 1
1 1956 . 14 2 2 B 35 35 LYS N N 491 123.484 117.777 5.707 1
1 1575 . 15 2 2 B 2 2 SER H H 458 8.193 8.676 -0.483 1
1 1577 . 15 2 2 B 2 2 SER C C 458 172.550 175.996 -3.446 1
1 1578 . 15 2 2 B 2 2 SER CA C 458 55.709 62.779 -7.070 1
1 1579 . 15 2 2 B 2 2 SER CB C 458 61.137 62.838 -1.701 1
1 1580 . 15 2 2 B 2 2 SER N N 458 120.637 120.397 0.240 1
1 1581 . 15 2 2 B 3 3 ARG H H 459 8.654 7.974 0.680 1
1 1582 . 15 2 2 B 3 3 ARG HA H 459 3.838 3.957 -0.119 1
1 1584 . 15 2 2 B 3 3 ARG C C 459 174.192 178.616 -4.424 1
1 1585 . 15 2 2 B 3 3 ARG CA C 459 55.993 59.536 -3.543 1
1 1586 . 15 2 2 B 3 3 ARG CB C 459 27.411 30.012 -2.601 1
1 1588 . 15 2 2 B 3 3 ARG N N 459 125.365 120.997 4.368 1
1 1589 . 15 2 2 B 4 4 ALA H H 460 8.193 7.794 0.399 1
1 1590 . 15 2 2 B 4 4 ALA HA H 460 4.164 4.279 -0.115 1
1 1594 . 15 2 2 B 4 4 ALA C C 460 176.557 179.068 -2.511 1
1 1595 . 15 2 2 B 4 4 ALA CA C 460 52.358 53.865 -1.507 1
1 1596 . 15 2 2 B 4 4 ALA CB C 460 15.958 19.529 -3.571 1
1 1597 . 15 2 2 B 4 4 ALA N N 460 120.862 119.939 0.923 1
1 1598 . 15 2 2 B 5 5 LYS H H 461 7.900 7.628 0.272 1
1 1599 . 15 2 2 B 5 5 LYS HA H 461 4.185 4.021 0.164 1
1 1602 . 15 2 2 B 5 5 LYS C C 461 175.175 179.189 -4.014 1
1 1603 . 15 2 2 B 5 5 LYS CA C 461 56.959 59.608 -2.649 1
1 1604 . 15 2 2 B 5 5 LYS CB C 461 28.819 32.288 -3.469 1
1 1606 . 15 2 2 B 5 5 LYS N N 461 118.064 117.537 0.527 1
1 1607 . 15 2 2 B 6 6 ALA H H 462 7.778 8.049 -0.271 1
1 1608 . 15 2 2 B 6 6 ALA HA H 462 4.060 4.096 -0.036 1
1 1612 . 15 2 2 B 6 6 ALA C C 462 178.002 180.006 -2.004 1
1 1613 . 15 2 2 B 6 6 ALA CA C 462 52.150 55.309 -3.159 1
1 1614 . 15 2 2 B 6 6 ALA CB C 462 14.865 18.216 -3.351 1
1 1615 . 15 2 2 B 6 6 ALA N N 462 120.253 121.499 -1.246 1
1 1616 . 15 2 2 B 7 7 ASN H H 463 8.372 8.103 0.269 1
1 1617 . 15 2 2 B 7 7 ASN HA H 463 4.459 4.417 0.042 1
1 1620 . 15 2 2 B 7 7 ASN C C 463 175.009 177.941 -2.932 1
1 1621 . 15 2 2 B 7 7 ASN CA C 463 53.033 56.571 -3.538 1
1 1622 . 15 2 2 B 7 7 ASN CB C 463 35.500 38.452 -2.952 1
1 1623 . 15 2 2 B 7 7 ASN N N 463 118.243 115.271 2.972 1
1 1624 . 15 2 2 B 8 8 TRP H H 464 8.533 8.712 -0.179 1
1 1625 . 15 2 2 B 8 8 TRP HA H 464 4.203 4.070 0.133 1
1 1632 . 15 2 2 B 8 8 TRP C C 464 175.578 178.429 -2.851 1
1 1633 . 15 2 2 B 8 8 TRP CA C 464 58.190 61.142 -2.952 1
1 1634 . 15 2 2 B 8 8 TRP CB C 464 26.538 29.446 -2.908 1
1 1636 . 15 2 2 B 8 8 TRP N N 464 121.805 122.434 -0.629 1
1 1638 . 15 2 2 B 9 9 LEU H H 465 8.264 8.498 -0.234 1
1 1639 . 15 2 2 B 9 9 LEU HA H 465 4.172 3.808 0.364 1
1 1649 . 15 2 2 B 9 9 LEU C C 465 176.568 178.792 -2.224 1
1 1650 . 15 2 2 B 9 9 LEU CA C 465 55.499 58.147 -2.648 1
1 1651 . 15 2 2 B 9 9 LEU CB C 465 38.641 41.788 -3.147 1
1 1654 . 15 2 2 B 9 9 LEU N N 465 118.722 120.145 -1.423 1
1 1655 . 15 2 2 B 10 10 ARG H H 466 8.264 8.306 -0.042 1
1 1656 . 15 2 2 B 10 10 ARG HA H 466 4.128 4.088 0.040 1
1 1660 . 15 2 2 B 10 10 ARG C C 466 175.900 179.023 -3.123 1
1 1661 . 15 2 2 B 10 10 ARG CA C 466 56.888 59.122 -2.234 1
1 1662 . 15 2 2 B 10 10 ARG CB C 466 27.368 29.798 -2.430 1
1 1664 . 15 2 2 B 10 10 ARG N N 466 120.684 117.536 3.148 1
1 1665 . 15 2 2 B 11 11 ALA H H 467 8.067 8.369 -0.302 1
1 1666 . 15 2 2 B 11 11 ALA HA H 467 3.978 4.136 -0.158 1
1 1670 . 15 2 2 B 11 11 ALA C C 467 175.888 180.479 -4.591 1
1 1671 . 15 2 2 B 11 11 ALA CA C 467 52.558 55.249 -2.691 1
1 1672 . 15 2 2 B 11 11 ALA CB C 467 16.041 19.224 -3.183 1
1 1673 . 15 2 2 B 11 11 ALA N N 467 121.482 122.377 -0.895 1
1 1674 . 15 2 2 B 12 12 PHE H H 468 9.052 8.279 0.773 1
1 1675 . 15 2 2 B 12 12 PHE HA H 468 4.350 4.405 -0.055 1
1 1682 . 15 2 2 B 12 12 PHE C C 468 173.951 178.397 -4.446 1
1 1683 . 15 2 2 B 12 12 PHE CA C 468 58.326 61.295 -2.969 1
1 1684 . 15 2 2 B 12 12 PHE CB C 468 37.668 37.986 -0.318 1
1 1687 . 15 2 2 B 12 12 PHE N N 468 117.615 116.499 1.116 1
1 1688 . 15 2 2 B 13 13 ASN H H 469 8.602 8.494 0.108 1
1 1689 . 15 2 2 B 13 13 ASN HA H 469 4.166 4.358 -0.192 1
1 1692 . 15 2 2 B 13 13 ASN C C 469 174.785 177.486 -2.701 1
1 1693 . 15 2 2 B 13 13 ASN CA C 469 53.709 56.773 -3.064 1
1 1694 . 15 2 2 B 13 13 ASN CB C 469 35.325 38.872 -3.547 1
1 1695 . 15 2 2 B 13 13 ASN N N 469 116.425 118.484 -2.059 1
1 1696 . 15 2 2 B 14 14 LYS H H 470 8.076 8.229 -0.153 1
1 1697 . 15 2 2 B 14 14 LYS HA H 470 4.045 4.129 -0.084 1
1 1705 . 15 2 2 B 14 14 LYS C C 470 176.194 179.551 -3.357 1
1 1706 . 15 2 2 B 14 14 LYS CA C 470 57.174 59.555 -2.381 1
1 1707 . 15 2 2 B 14 14 LYS CB C 470 30.526 32.837 -2.311 1
1 1710 . 15 2 2 B 14 14 LYS N N 470 119.958 119.602 0.356 1
1 1711 . 15 2 2 B 15 15 VAL H H 471 8.410 7.624 0.786 1
1 1712 . 15 2 2 B 15 15 VAL HA H 471 3.532 3.576 -0.044 1
1 1720 . 15 2 2 B 15 15 VAL C C 471 174.970 177.867 -2.897 1
1 1721 . 15 2 2 B 15 15 VAL CA C 471 64.190 66.719 -2.529 1
1 1722 . 15 2 2 B 15 15 VAL CB C 471 28.483 31.497 -3.014 1
1 1725 . 15 2 2 B 15 15 VAL N N 471 121.488 119.849 1.639 1
1 1726 . 15 2 2 B 16 16 ARG H H 472 8.639 8.363 0.276 1
1 1727 . 15 2 2 B 16 16 ARG HA H 472 3.763 3.908 -0.145 1
1 1733 . 15 2 2 B 16 16 ARG C C 472 175.887 178.932 -3.045 1
1 1734 . 15 2 2 B 16 16 ARG CA C 472 56.805 60.232 -3.427 1
1 1735 . 15 2 2 B 16 16 ARG CB C 472 26.506 29.822 -3.316 1
1 1738 . 15 2 2 B 16 16 ARG N N 472 119.209 119.591 -0.382 1
1 1739 . 15 2 2 B 17 17 MET H H 473 7.701 8.145 -0.444 1
1 1740 . 15 2 2 B 17 17 MET HA H 473 4.105 4.125 -0.020 1
1 1747 . 15 2 2 B 17 17 MET C C 473 175.604 178.005 -2.401 1
1 1748 . 15 2 2 B 17 17 MET CA C 473 55.673 59.765 -4.092 1
1 1749 . 15 2 2 B 17 17 MET CB C 473 29.324 32.627 -3.303 1
1 1751 . 15 2 2 B 17 17 MET N N 473 117.427 119.360 -1.933 1
1 1752 . 15 2 2 B 18 18 GLN H H 474 7.733 8.242 -0.509 1
1 1753 . 15 2 2 B 18 18 GLN HA H 474 4.049 4.090 -0.041 1
1 1758 . 15 2 2 B 18 18 GLN C C 474 175.931 177.965 -2.034 1
1 1759 . 15 2 2 B 18 18 GLN CA C 474 55.976 58.513 -2.537 1
1 1760 . 15 2 2 B 18 18 GLN CB C 474 24.407 27.579 -3.172 1
1 1762 . 15 2 2 B 18 18 GLN N N 474 119.752 118.555 1.197 1
1 1763 . 15 2 2 B 19 19 LEU H H 475 8.151 7.981 0.170 1
1 1764 . 15 2 2 B 19 19 LEU HA H 475 4.013 3.933 0.080 1
1 1774 . 15 2 2 B 19 19 LEU C C 475 176.150 179.478 -3.328 1
1 1775 . 15 2 2 B 19 19 LEU CA C 475 54.386 58.058 -3.672 1
1 1776 . 15 2 2 B 19 19 LEU CB C 475 39.047 41.514 -2.467 1
1 1780 . 15 2 2 B 19 19 LEU N N 475 120.063 121.415 -1.352 1
1 1781 . 15 2 2 B 20 20 GLN H H 476 7.911 8.260 -0.349 1
1 1782 . 15 2 2 B 20 20 GLN HA H 476 3.980 3.949 0.031 1
1 1787 . 15 2 2 B 20 20 GLN C C 476 175.284 178.795 -3.511 1
1 1788 . 15 2 2 B 20 20 GLN CA C 476 55.365 59.377 -4.012 1
1 1789 . 15 2 2 B 20 20 GLN CB C 476 25.474 28.292 -2.818 1
1 1791 . 15 2 2 B 20 20 GLN N N 476 118.054 118.860 -0.806 1
1 1792 . 15 2 2 B 21 21 GLU H H 477 7.975 8.289 -0.314 1
1 1793 . 15 2 2 B 21 21 GLU HA H 477 4.016 4.060 -0.044 1
1 1797 . 15 2 2 B 21 21 GLU C C 477 174.854 178.533 -3.679 1
1 1798 . 15 2 2 B 21 21 GLU CA C 477 55.490 59.328 -3.838 1
1 1799 . 15 2 2 B 21 21 GLU CB C 477 26.666 29.176 -2.510 1
1 1801 . 15 2 2 B 21 21 GLU N N 477 119.803 119.974 -0.171 1
1 1802 . 15 2 2 B 22 22 ALA H H 478 7.726 7.955 -0.229 1
1 1803 . 15 2 2 B 22 22 ALA HA H 478 4.190 4.018 0.172 1
1 1807 . 15 2 2 B 22 22 ALA C C 478 175.491 180.149 -4.658 1
1 1808 . 15 2 2 B 22 22 ALA CA C 478 50.517 55.033 -4.516 1
1 1809 . 15 2 2 B 22 22 ALA CB C 478 15.961 18.291 -2.330 1
1 1810 . 15 2 2 B 22 22 ALA N N 478 121.648 121.945 -0.297 1
1 1811 . 15 2 2 B 23 23 ARG H H 479 7.645 7.347 0.298 1
1 1812 . 15 2 2 B 23 23 ARG HA H 479 4.211 4.112 0.099 1
1 1817 . 15 2 2 B 23 23 ARG C C 479 174.086 177.235 -3.149 1
1 1818 . 15 2 2 B 23 23 ARG CA C 479 53.836 57.070 -3.234 1
1 1819 . 15 2 2 B 23 23 ARG CB C 479 27.401 30.480 -3.079 1
1 1822 . 15 2 2 B 23 23 ARG N N 479 117.484 115.564 1.920 1
1 1823 . 15 2 2 B 24 24 GLY H H 480 7.961 7.753 0.208 1
1 1824 . 15 2 2 B 24 24 GLY HA2 H 480 3.909 4.059 -0.150 1
1 1825 . 15 2 2 B 24 24 GLY HA3 H 480 3.909 4.061 -0.152 1
1 1826 . 15 2 2 B 24 24 GLY C C 480 171.195 175.804 -4.609 1
1 1827 . 15 2 2 B 24 24 GLY CA C 480 42.457 44.946 -2.489 1
1 1828 . 15 2 2 B 24 24 GLY N N 480 107.622 107.601 0.021 1
1 1829 . 15 2 2 B 25 25 GLU H H 481 8.163 8.741 -0.578 1
1 1830 . 15 2 2 B 25 25 GLU HA H 481 4.269 4.045 0.224 1
1 1834 . 15 2 2 B 25 25 GLU C C 481 174.077 177.223 -3.146 1
1 1835 . 15 2 2 B 25 25 GLU CA C 481 53.780 57.688 -3.908 1
1 1836 . 15 2 2 B 25 25 GLU CB C 481 27.272 30.079 -2.807 1
1 1838 . 15 2 2 B 25 25 GLU N N 481 120.497 123.705 -3.208 1
1 1839 . 15 2 2 B 26 26 GLY H H 482 8.350 7.929 0.421 1
1 1840 . 15 2 2 B 26 26 GLY HA2 H 482 3.902 4.019 -0.117 1
1 1841 . 15 2 2 B 26 26 GLY HA3 H 482 3.902 4.023 -0.121 1
1 1842 . 15 2 2 B 26 26 GLY C C 482 171.213 174.297 -3.084 1
1 1843 . 15 2 2 B 26 26 GLY CA C 482 42.485 44.532 -2.047 1
1 1844 . 15 2 2 B 26 26 GLY N N 482 108.850 107.502 1.348 1
1 1845 . 15 2 2 B 27 27 GLU H H 483 8.142 8.937 -0.795 1
1 1846 . 15 2 2 B 27 27 GLU HA H 483 4.132 4.167 -0.035 1
1 1850 . 15 2 2 B 27 27 GLU C C 483 174.078 178.522 -4.444 1
1 1851 . 15 2 2 B 27 27 GLU CA C 483 54.039 58.139 -4.100 1
1 1852 . 15 2 2 B 27 27 GLU CB C 483 27.066 29.172 -2.106 1
1 1854 . 15 2 2 B 27 27 GLU N N 483 120.369 120.865 -0.496 1
1 1855 . 15 2 2 B 28 28 MET H H 484 8.348 8.109 0.239 1
1 1856 . 15 2 2 B 28 28 MET HA H 484 4.175 4.124 0.051 1
1 1863 . 15 2 2 B 28 28 MET C C 484 173.796 178.759 -4.963 1
1 1864 . 15 2 2 B 28 28 MET CA C 484 53.324 58.593 -5.269 1
1 1865 . 15 2 2 B 28 28 MET CB C 484 29.849 32.190 -2.341 1
1 1868 . 15 2 2 B 28 28 MET N N 484 120.436 120.809 -0.373 1
1 1869 . 15 2 2 B 29 29 SER H H 485 8.125 7.658 0.467 1
1 1870 . 15 2 2 B 29 29 SER HA H 485 4.338 4.208 0.130 1
1 1873 . 15 2 2 B 29 29 SER C C 485 171.585 175.496 -3.911 1
1 1874 . 15 2 2 B 29 29 SER CA C 485 56.067 61.873 -5.806 1
1 1875 . 15 2 2 B 29 29 SER CB C 485 60.603 62.888 -2.285 1
1 1876 . 15 2 2 B 29 29 SER N N 485 115.589 117.036 -1.447 1
1 1877 . 15 2 2 B 30 30 LYS H H 486 7.986 7.628 0.358 1
1 1878 . 15 2 2 B 30 30 LYS HA H 486 4.220 4.351 -0.131 1
1 1883 . 15 2 2 B 30 30 LYS C C 486 173.803 177.286 -3.483 1
1 1884 . 15 2 2 B 30 30 LYS CA C 486 53.958 57.319 -3.361 1
1 1885 . 15 2 2 B 30 30 LYS CB C 486 30.005 32.328 -2.323 1
1 1889 . 15 2 2 B 30 30 LYS N N 486 122.255 120.081 2.174 1
1 1890 . 15 2 2 B 31 31 SER H H 487 7.972 7.933 0.039 1
1 1891 . 15 2 2 B 31 31 SER HA H 487 3.676 4.037 -0.361 1
1 1894 . 15 2 2 B 31 31 SER C C 487 171.460 176.728 -5.268 1
1 1895 . 15 2 2 B 31 31 SER CA C 487 55.826 61.649 -5.823 1
1 1896 . 15 2 2 B 31 31 SER CB C 487 61.064 62.668 -1.604 1
1 1897 . 15 2 2 B 31 31 SER N N 487 114.856 116.016 -1.160 1
1 1898 . 15 2 2 B 32 32 LEU H H 488 8.017 7.438 0.579 1
1 1899 . 15 2 2 B 32 32 LEU HA H 488 4.300 3.699 0.601 1
1 1909 . 15 2 2 B 32 32 LEU C C 488 174.074 176.429 -2.355 1
1 1910 . 15 2 2 B 32 32 LEU CA C 488 53.057 57.357 -4.300 1
1 1911 . 15 2 2 B 32 32 LEU CB C 488 39.082 40.442 -1.360 1
1 1914 . 15 2 2 B 32 32 LEU N N 488 123.172 118.848 4.324 1
1 1915 . 15 2 2 B 33 33 TRP H H 489 7.636 7.466 0.170 1
1 1916 . 15 2 2 B 33 33 TRP HA H 489 4.124 4.929 -0.805 1
1 1923 . 15 2 2 B 33 33 TRP C C 489 172.511 175.680 -3.169 1
1 1924 . 15 2 2 B 33 33 TRP CA C 489 53.958 56.547 -2.589 1
1 1925 . 15 2 2 B 33 33 TRP CB C 489 26.283 31.484 -5.201 1
1 1927 . 15 2 2 B 33 33 TRP N N 489 117.409 117.069 0.340 1
1 1929 . 15 2 2 B 34 34 PHE H H 490 7.377 9.243 -1.866 1
1 1930 . 15 2 2 B 34 34 PHE HA H 490 4.325 4.312 0.013 1
1 1937 . 15 2 2 B 34 34 PHE C C 490 172.418 175.848 -3.430 1
1 1938 . 15 2 2 B 34 34 PHE CA C 490 55.014 59.013 -3.999 1
1 1939 . 15 2 2 B 34 34 PHE CB C 490 36.680 38.630 -1.950 1
1 1942 . 15 2 2 B 34 34 PHE N N 490 119.308 120.061 -0.753 1
1 1943 . 15 2 2 B 35 35 LYS H H 491 7.864 8.431 -0.567 1
1 1944 . 15 2 2 B 35 35 LYS HA H 491 4.195 4.096 0.099 1
1 1950 . 15 2 2 B 35 35 LYS C C 491 172.483 176.890 -4.407 1
1 1951 . 15 2 2 B 35 35 LYS CA C 491 53.521 57.112 -3.591 1
1 1952 . 15 2 2 B 35 35 LYS CB C 491 30.222 32.931 -2.709 1
1 1956 . 15 2 2 B 35 35 LYS N N 491 123.484 118.833 4.651 1
1 1575 . 16 2 2 B 2 2 SER H H 458 8.193 7.981 0.212 1
1 1577 . 16 2 2 B 2 2 SER C C 458 172.550 175.009 -2.459 1
1 1578 . 16 2 2 B 2 2 SER CA C 458 55.709 61.255 -5.546 1
1 1579 . 16 2 2 B 2 2 SER CB C 458 61.137 63.790 -2.653 1
1 1580 . 16 2 2 B 2 2 SER N N 458 120.637 115.357 5.280 1
1 1581 . 16 2 2 B 3 3 ARG H H 459 8.654 8.054 0.600 1
1 1582 . 16 2 2 B 3 3 ARG HA H 459 3.838 4.130 -0.292 1
1 1584 . 16 2 2 B 3 3 ARG C C 459 174.192 176.040 -1.848 1
1 1585 . 16 2 2 B 3 3 ARG CA C 459 55.993 59.373 -3.380 1
1 1586 . 16 2 2 B 3 3 ARG CB C 459 27.411 29.737 -2.326 1
1 1588 . 16 2 2 B 3 3 ARG N N 459 125.365 121.354 4.011 1
1 1589 . 16 2 2 B 4 4 ALA H H 460 8.193 8.388 -0.195 1
1 1590 . 16 2 2 B 4 4 ALA HA H 460 4.164 4.208 -0.044 1
1 1594 . 16 2 2 B 4 4 ALA C C 460 176.557 179.465 -2.908 1
1 1595 . 16 2 2 B 4 4 ALA CA C 460 52.358 53.056 -0.698 1
1 1596 . 16 2 2 B 4 4 ALA CB C 460 15.958 19.331 -3.373 1
1 1597 . 16 2 2 B 4 4 ALA N N 460 120.862 121.592 -0.730 1
1 1598 . 16 2 2 B 5 5 LYS H H 461 7.900 8.375 -0.475 1
1 1599 . 16 2 2 B 5 5 LYS HA H 461 4.185 4.031 0.154 1
1 1602 . 16 2 2 B 5 5 LYS C C 461 175.175 179.077 -3.902 1
1 1603 . 16 2 2 B 5 5 LYS CA C 461 56.959 59.574 -2.615 1
1 1604 . 16 2 2 B 5 5 LYS CB C 461 28.819 32.320 -3.501 1
1 1606 . 16 2 2 B 5 5 LYS N N 461 118.064 118.746 -0.682 1
1 1607 . 16 2 2 B 6 6 ALA H H 462 7.778 8.028 -0.250 1
1 1608 . 16 2 2 B 6 6 ALA HA H 462 4.060 4.096 -0.036 1
1 1612 . 16 2 2 B 6 6 ALA C C 462 178.002 179.940 -1.938 1
1 1613 . 16 2 2 B 6 6 ALA CA C 462 52.150 55.338 -3.188 1
1 1614 . 16 2 2 B 6 6 ALA CB C 462 14.865 18.280 -3.415 1
1 1615 . 16 2 2 B 6 6 ALA N N 462 120.253 121.487 -1.234 1
1 1616 . 16 2 2 B 7 7 ASN H H 463 8.372 8.266 0.106 1
1 1617 . 16 2 2 B 7 7 ASN HA H 463 4.459 4.412 0.047 1
1 1620 . 16 2 2 B 7 7 ASN C C 463 175.009 178.124 -3.115 1
1 1621 . 16 2 2 B 7 7 ASN CA C 463 53.033 56.596 -3.563 1
1 1622 . 16 2 2 B 7 7 ASN CB C 463 35.500 38.301 -2.801 1
1 1623 . 16 2 2 B 7 7 ASN N N 463 118.243 115.927 2.316 1
1 1624 . 16 2 2 B 8 8 TRP H H 464 8.533 8.581 -0.048 1
1 1625 . 16 2 2 B 8 8 TRP HA H 464 4.203 4.093 0.110 1
1 1632 . 16 2 2 B 8 8 TRP C C 464 175.578 178.261 -2.683 1
1 1633 . 16 2 2 B 8 8 TRP CA C 464 58.190 61.072 -2.882 1
1 1634 . 16 2 2 B 8 8 TRP CB C 464 26.538 29.766 -3.228 1
1 1636 . 16 2 2 B 8 8 TRP N N 464 121.805 122.980 -1.175 1
1 1638 . 16 2 2 B 9 9 LEU H H 465 8.264 8.538 -0.274 1
1 1639 . 16 2 2 B 9 9 LEU HA H 465 4.172 3.825 0.347 1
1 1649 . 16 2 2 B 9 9 LEU C C 465 176.568 179.000 -2.432 1
1 1650 . 16 2 2 B 9 9 LEU CA C 465 55.499 58.217 -2.718 1
1 1651 . 16 2 2 B 9 9 LEU CB C 465 38.641 41.744 -3.103 1
1 1654 . 16 2 2 B 9 9 LEU N N 465 118.722 120.035 -1.313 1
1 1655 . 16 2 2 B 10 10 ARG H H 466 8.264 8.255 0.009 1
1 1656 . 16 2 2 B 10 10 ARG HA H 466 4.128 4.083 0.045 1
1 1660 . 16 2 2 B 10 10 ARG C C 466 175.900 179.151 -3.251 1
1 1661 . 16 2 2 B 10 10 ARG CA C 466 56.888 59.130 -2.242 1
1 1662 . 16 2 2 B 10 10 ARG CB C 466 27.368 29.767 -2.399 1
1 1664 . 16 2 2 B 10 10 ARG N N 466 120.684 117.908 2.776 1
1 1665 . 16 2 2 B 11 11 ALA H H 467 8.067 8.146 -0.079 1
1 1666 . 16 2 2 B 11 11 ALA HA H 467 3.978 4.122 -0.144 1
1 1670 . 16 2 2 B 11 11 ALA C C 467 175.888 180.642 -4.754 1
1 1671 . 16 2 2 B 11 11 ALA CA C 467 52.558 55.173 -2.615 1
1 1672 . 16 2 2 B 11 11 ALA CB C 467 16.041 18.945 -2.904 1
1 1673 . 16 2 2 B 11 11 ALA N N 467 121.482 122.286 -0.804 1
1 1674 . 16 2 2 B 12 12 PHE H H 468 9.052 7.900 1.152 1
1 1675 . 16 2 2 B 12 12 PHE HA H 468 4.350 4.362 -0.012 1
1 1682 . 16 2 2 B 12 12 PHE C C 468 173.951 178.254 -4.303 1
1 1683 . 16 2 2 B 12 12 PHE CA C 468 58.326 61.439 -3.113 1
1 1684 . 16 2 2 B 12 12 PHE CB C 468 37.668 38.088 -0.420 1
1 1687 . 16 2 2 B 12 12 PHE N N 468 117.615 116.311 1.304 1
1 1688 . 16 2 2 B 13 13 ASN H H 469 8.602 8.495 0.107 1
1 1689 . 16 2 2 B 13 13 ASN HA H 469 4.166 4.343 -0.177 1
1 1692 . 16 2 2 B 13 13 ASN C C 469 174.785 177.563 -2.778 1
1 1693 . 16 2 2 B 13 13 ASN CA C 469 53.709 56.753 -3.044 1
1 1694 . 16 2 2 B 13 13 ASN CB C 469 35.325 38.717 -3.392 1
1 1695 . 16 2 2 B 13 13 ASN N N 469 116.425 118.674 -2.249 1
1 1696 . 16 2 2 B 14 14 LYS H H 470 8.076 8.276 -0.200 1
1 1697 . 16 2 2 B 14 14 LYS HA H 470 4.045 4.074 -0.029 1
1 1705 . 16 2 2 B 14 14 LYS C C 470 176.194 179.529 -3.335 1
1 1706 . 16 2 2 B 14 14 LYS CA C 470 57.174 59.402 -2.228 1
1 1707 . 16 2 2 B 14 14 LYS CB C 470 30.526 32.631 -2.105 1
1 1710 . 16 2 2 B 14 14 LYS N N 470 119.958 119.478 0.480 1
1 1711 . 16 2 2 B 15 15 VAL H H 471 8.410 7.535 0.875 1
1 1712 . 16 2 2 B 15 15 VAL HA H 471 3.532 3.807 -0.275 1
1 1720 . 16 2 2 B 15 15 VAL C C 471 174.970 177.860 -2.890 1
1 1721 . 16 2 2 B 15 15 VAL CA C 471 64.190 65.845 -1.655 1
1 1722 . 16 2 2 B 15 15 VAL CB C 471 28.483 31.526 -3.043 1
1 1725 . 16 2 2 B 15 15 VAL N N 471 121.488 116.080 5.408 1
1 1726 . 16 2 2 B 16 16 ARG H H 472 8.639 8.260 0.379 1
1 1727 . 16 2 2 B 16 16 ARG HA H 472 3.763 3.918 -0.155 1
1 1733 . 16 2 2 B 16 16 ARG C C 472 175.887 178.820 -2.933 1
1 1734 . 16 2 2 B 16 16 ARG CA C 472 56.805 59.782 -2.977 1
1 1735 . 16 2 2 B 16 16 ARG CB C 472 26.506 29.903 -3.397 1
1 1738 . 16 2 2 B 16 16 ARG N N 472 119.209 122.178 -2.969 1
1 1739 . 16 2 2 B 17 17 MET H H 473 7.701 8.443 -0.742 1
1 1740 . 16 2 2 B 17 17 MET HA H 473 4.105 4.133 -0.028 1
1 1747 . 16 2 2 B 17 17 MET C C 473 175.604 177.931 -2.327 1
1 1748 . 16 2 2 B 17 17 MET CA C 473 55.673 59.303 -3.630 1
1 1749 . 16 2 2 B 17 17 MET CB C 473 29.324 32.160 -2.836 1
1 1751 . 16 2 2 B 17 17 MET N N 473 117.427 118.118 -0.691 1
1 1752 . 16 2 2 B 18 18 GLN H H 474 7.733 8.067 -0.334 1
1 1753 . 16 2 2 B 18 18 GLN HA H 474 4.049 4.091 -0.042 1
1 1758 . 16 2 2 B 18 18 GLN C C 474 175.931 178.003 -2.072 1
1 1759 . 16 2 2 B 18 18 GLN CA C 474 55.976 58.582 -2.606 1
1 1760 . 16 2 2 B 18 18 GLN CB C 474 24.407 27.573 -3.166 1
1 1762 . 16 2 2 B 18 18 GLN N N 474 119.752 118.600 1.152 1
1 1763 . 16 2 2 B 19 19 LEU H H 475 8.151 8.032 0.119 1
1 1764 . 16 2 2 B 19 19 LEU HA H 475 4.013 3.911 0.102 1
1 1774 . 16 2 2 B 19 19 LEU C C 475 176.150 179.392 -3.242 1
1 1775 . 16 2 2 B 19 19 LEU CA C 475 54.386 58.013 -3.627 1
1 1776 . 16 2 2 B 19 19 LEU CB C 475 39.047 41.476 -2.429 1
1 1780 . 16 2 2 B 19 19 LEU N N 475 120.063 121.166 -1.103 1
1 1781 . 16 2 2 B 20 20 GLN H H 476 7.911 8.225 -0.314 1
1 1782 . 16 2 2 B 20 20 GLN HA H 476 3.980 4.303 -0.323 1
1 1787 . 16 2 2 B 20 20 GLN C C 476 175.284 178.654 -3.370 1
1 1788 . 16 2 2 B 20 20 GLN CA C 476 55.365 58.582 -3.217 1
1 1789 . 16 2 2 B 20 20 GLN CB C 476 25.474 28.607 -3.133 1
1 1791 . 16 2 2 B 20 20 GLN N N 476 118.054 118.050 0.004 1
1 1792 . 16 2 2 B 21 21 GLU H H 477 7.975 8.176 -0.201 1
1 1793 . 16 2 2 B 21 21 GLU HA H 477 4.016 4.008 0.008 1
1 1797 . 16 2 2 B 21 21 GLU C C 477 174.854 178.600 -3.746 1
1 1798 . 16 2 2 B 21 21 GLU CA C 477 55.490 59.428 -3.938 1
1 1799 . 16 2 2 B 21 21 GLU CB C 477 26.666 29.402 -2.736 1
1 1801 . 16 2 2 B 21 21 GLU N N 477 119.803 120.151 -0.348 1
1 1802 . 16 2 2 B 22 22 ALA H H 478 7.726 7.768 -0.042 1
1 1803 . 16 2 2 B 22 22 ALA HA H 478 4.190 4.029 0.161 1
1 1807 . 16 2 2 B 22 22 ALA C C 478 175.491 180.143 -4.652 1
1 1808 . 16 2 2 B 22 22 ALA CA C 478 50.517 55.419 -4.902 1
1 1809 . 16 2 2 B 22 22 ALA CB C 478 15.961 18.229 -2.268 1
1 1810 . 16 2 2 B 22 22 ALA N N 478 121.648 122.013 -0.365 1
1 1811 . 16 2 2 B 23 23 ARG H H 479 7.645 7.824 -0.179 1
1 1812 . 16 2 2 B 23 23 ARG HA H 479 4.211 4.089 0.122 1
1 1817 . 16 2 2 B 23 23 ARG C C 479 174.086 177.314 -3.228 1
1 1818 . 16 2 2 B 23 23 ARG CA C 479 53.836 56.759 -2.923 1
1 1819 . 16 2 2 B 23 23 ARG CB C 479 27.401 30.471 -3.070 1
1 1822 . 16 2 2 B 23 23 ARG N N 479 117.484 115.795 1.689 1
1 1823 . 16 2 2 B 24 24 GLY H H 480 7.961 8.124 -0.163 1
1 1824 . 16 2 2 B 24 24 GLY HA2 H 480 3.909 4.092 -0.183 1
1 1825 . 16 2 2 B 24 24 GLY HA3 H 480 3.909 4.094 -0.185 1
1 1826 . 16 2 2 B 24 24 GLY C C 480 171.195 173.734 -2.539 1
1 1827 . 16 2 2 B 24 24 GLY CA C 480 42.457 44.439 -1.982 1
1 1828 . 16 2 2 B 24 24 GLY N N 480 107.622 106.167 1.455 1
1 1829 . 16 2 2 B 25 25 GLU H H 481 8.163 8.648 -0.485 1
1 1830 . 16 2 2 B 25 25 GLU HA H 481 4.269 4.142 0.127 1
1 1834 . 16 2 2 B 25 25 GLU C C 481 174.077 176.511 -2.434 1
1 1835 . 16 2 2 B 25 25 GLU CA C 481 53.780 57.790 -4.010 1
1 1836 . 16 2 2 B 25 25 GLU CB C 481 27.272 30.338 -3.066 1
1 1838 . 16 2 2 B 25 25 GLU N N 481 120.497 120.704 -0.207 1
1 1839 . 16 2 2 B 26 26 GLY H H 482 8.350 8.333 0.017 1
1 1840 . 16 2 2 B 26 26 GLY HA2 H 482 3.902 4.207 -0.305 1
1 1841 . 16 2 2 B 26 26 GLY HA3 H 482 3.902 4.207 -0.305 1
1 1842 . 16 2 2 B 26 26 GLY C C 482 171.213 173.921 -2.708 1
1 1843 . 16 2 2 B 26 26 GLY CA C 482 42.485 46.196 -3.711 1
1 1844 . 16 2 2 B 26 26 GLY N N 482 108.850 111.247 -2.397 1
1 1845 . 16 2 2 B 27 27 GLU H H 483 8.142 8.725 -0.583 1
1 1846 . 16 2 2 B 27 27 GLU HA H 483 4.132 4.020 0.112 1
1 1850 . 16 2 2 B 27 27 GLU C C 483 174.078 176.692 -2.614 1
1 1851 . 16 2 2 B 27 27 GLU CA C 483 54.039 57.648 -3.609 1
1 1852 . 16 2 2 B 27 27 GLU CB C 483 27.066 29.452 -2.386 1
1 1854 . 16 2 2 B 27 27 GLU N N 483 120.369 122.925 -2.556 1
1 1855 . 16 2 2 B 28 28 MET H H 484 8.348 8.117 0.231 1
1 1856 . 16 2 2 B 28 28 MET HA H 484 4.175 4.713 -0.538 1
1 1863 . 16 2 2 B 28 28 MET C C 484 173.796 176.919 -3.123 1
1 1864 . 16 2 2 B 28 28 MET CA C 484 53.324 54.848 -1.524 1
1 1865 . 16 2 2 B 28 28 MET CB C 484 29.849 32.529 -2.680 1
1 1868 . 16 2 2 B 28 28 MET N N 484 120.436 118.740 1.696 1
1 1869 . 16 2 2 B 29 29 SER H H 485 8.125 8.355 -0.230 1
1 1870 . 16 2 2 B 29 29 SER HA H 485 4.338 4.213 0.125 1
1 1873 . 16 2 2 B 29 29 SER C C 485 171.585 174.814 -3.229 1
1 1874 . 16 2 2 B 29 29 SER CA C 485 56.067 61.221 -5.154 1
1 1875 . 16 2 2 B 29 29 SER CB C 485 60.603 62.829 -2.226 1
1 1876 . 16 2 2 B 29 29 SER N N 485 115.589 115.112 0.477 1
1 1877 . 16 2 2 B 30 30 LYS H H 486 7.986 8.040 -0.054 1
1 1878 . 16 2 2 B 30 30 LYS HA H 486 4.220 4.325 -0.105 1
1 1883 . 16 2 2 B 30 30 LYS C C 486 173.803 176.356 -2.553 1
1 1884 . 16 2 2 B 30 30 LYS CA C 486 53.958 56.060 -2.102 1
1 1885 . 16 2 2 B 30 30 LYS CB C 486 30.005 31.909 -1.904 1
1 1889 . 16 2 2 B 30 30 LYS N N 486 122.255 116.831 5.424 1
1 1890 . 16 2 2 B 31 31 SER H H 487 7.972 7.537 0.435 1
1 1891 . 16 2 2 B 31 31 SER HA H 487 3.676 4.403 -0.727 1
1 1894 . 16 2 2 B 31 31 SER C C 487 171.460 174.458 -2.998 1
1 1895 . 16 2 2 B 31 31 SER CA C 487 55.826 58.939 -3.113 1
1 1896 . 16 2 2 B 31 31 SER CB C 487 61.064 64.331 -3.267 1
1 1897 . 16 2 2 B 31 31 SER N N 487 114.856 117.371 -2.515 1
1 1898 . 16 2 2 B 32 32 LEU H H 488 8.017 8.461 -0.444 1
1 1899 . 16 2 2 B 32 32 LEU HA H 488 4.300 4.140 0.160 1
1 1909 . 16 2 2 B 32 32 LEU C C 488 174.074 176.576 -2.502 1
1 1910 . 16 2 2 B 32 32 LEU CA C 488 53.057 54.679 -1.622 1
1 1911 . 16 2 2 B 32 32 LEU CB C 488 39.082 43.449 -4.367 1
1 1914 . 16 2 2 B 32 32 LEU N N 488 123.172 118.504 4.668 1
1 1915 . 16 2 2 B 33 33 TRP H H 489 7.636 7.714 -0.078 1
1 1916 . 16 2 2 B 33 33 TRP HA H 489 4.124 4.812 -0.688 1
1 1923 . 16 2 2 B 33 33 TRP C C 489 172.511 176.108 -3.597 1
1 1924 . 16 2 2 B 33 33 TRP CA C 489 53.958 58.641 -4.683 1
1 1925 . 16 2 2 B 33 33 TRP CB C 489 26.283 31.993 -5.710 1
1 1927 . 16 2 2 B 33 33 TRP N N 489 117.409 119.151 -1.742 1
1 1929 . 16 2 2 B 34 34 PHE H H 490 7.377 8.201 -0.824 1
1 1930 . 16 2 2 B 34 34 PHE HA H 490 4.325 4.967 -0.642 1
1 1937 . 16 2 2 B 34 34 PHE C C 490 172.418 175.217 -2.799 1
1 1938 . 16 2 2 B 34 34 PHE CA C 490 55.014 56.821 -1.807 1
1 1939 . 16 2 2 B 34 34 PHE CB C 490 36.680 40.753 -4.073 1
1 1942 . 16 2 2 B 34 34 PHE N N 490 119.308 118.101 1.207 1
1 1943 . 16 2 2 B 35 35 LYS H H 491 7.864 8.466 -0.602 1
1 1944 . 16 2 2 B 35 35 LYS HA H 491 4.195 4.406 -0.211 1
1 1950 . 16 2 2 B 35 35 LYS C C 491 172.483 176.389 -3.906 1
1 1951 . 16 2 2 B 35 35 LYS CA C 491 53.521 55.081 -1.560 1
1 1952 . 16 2 2 B 35 35 LYS CB C 491 30.222 33.090 -2.868 1
1 1956 . 16 2 2 B 35 35 LYS N N 491 123.484 127.833 -4.349 1
1 1575 . 17 2 2 B 2 2 SER H H 458 8.193 8.155 0.038 1
1 1577 . 17 2 2 B 2 2 SER C C 458 172.550 174.991 -2.441 1
1 1578 . 17 2 2 B 2 2 SER CA C 458 55.709 62.583 -6.874 1
1 1579 . 17 2 2 B 2 2 SER CB C 458 61.137 62.953 -1.816 1
1 1580 . 17 2 2 B 2 2 SER N N 458 120.637 116.499 4.138 1
1 1581 . 17 2 2 B 3 3 ARG H H 459 8.654 8.047 0.607 1
1 1582 . 17 2 2 B 3 3 ARG HA H 459 3.838 4.124 -0.286 1
1 1584 . 17 2 2 B 3 3 ARG C C 459 174.192 176.097 -1.905 1
1 1585 . 17 2 2 B 3 3 ARG CA C 459 55.993 59.382 -3.389 1
1 1586 . 17 2 2 B 3 3 ARG CB C 459 27.411 29.729 -2.318 1
1 1588 . 17 2 2 B 3 3 ARG N N 459 125.365 120.526 4.839 1
1 1589 . 17 2 2 B 4 4 ALA H H 460 8.193 8.295 -0.102 1
1 1590 . 17 2 2 B 4 4 ALA HA H 460 4.164 4.146 0.018 1
1 1594 . 17 2 2 B 4 4 ALA C C 460 176.557 179.309 -2.752 1
1 1595 . 17 2 2 B 4 4 ALA CA C 460 52.358 53.145 -0.787 1
1 1596 . 17 2 2 B 4 4 ALA CB C 460 15.958 19.271 -3.313 1
1 1597 . 17 2 2 B 4 4 ALA N N 460 120.862 121.520 -0.658 1
1 1598 . 17 2 2 B 5 5 LYS H H 461 7.900 8.533 -0.633 1
1 1599 . 17 2 2 B 5 5 LYS HA H 461 4.185 4.048 0.137 1
1 1602 . 17 2 2 B 5 5 LYS C C 461 175.175 178.713 -3.538 1
1 1603 . 17 2 2 B 5 5 LYS CA C 461 56.959 59.958 -2.999 1
1 1604 . 17 2 2 B 5 5 LYS CB C 461 28.819 32.399 -3.580 1
1 1606 . 17 2 2 B 5 5 LYS N N 461 118.064 118.679 -0.615 1
1 1607 . 17 2 2 B 6 6 ALA H H 462 7.778 8.080 -0.302 1
1 1608 . 17 2 2 B 6 6 ALA HA H 462 4.060 4.105 -0.045 1
1 1612 . 17 2 2 B 6 6 ALA C C 462 178.002 180.319 -2.317 1
1 1613 . 17 2 2 B 6 6 ALA CA C 462 52.150 55.138 -2.988 1
1 1614 . 17 2 2 B 6 6 ALA CB C 462 14.865 17.986 -3.121 1
1 1615 . 17 2 2 B 6 6 ALA N N 462 120.253 120.594 -0.341 1
1 1616 . 17 2 2 B 7 7 ASN H H 463 8.372 8.298 0.074 1
1 1617 . 17 2 2 B 7 7 ASN HA H 463 4.459 4.433 0.026 1
1 1620 . 17 2 2 B 7 7 ASN C C 463 175.009 178.179 -3.170 1
1 1621 . 17 2 2 B 7 7 ASN CA C 463 53.033 56.740 -3.707 1
1 1622 . 17 2 2 B 7 7 ASN CB C 463 35.500 38.073 -2.573 1
1 1623 . 17 2 2 B 7 7 ASN N N 463 118.243 116.040 2.203 1
1 1624 . 17 2 2 B 8 8 TRP H H 464 8.533 8.806 -0.273 1
1 1625 . 17 2 2 B 8 8 TRP HA H 464 4.203 4.080 0.123 1
1 1632 . 17 2 2 B 8 8 TRP C C 464 175.578 178.273 -2.695 1
1 1633 . 17 2 2 B 8 8 TRP CA C 464 58.190 61.086 -2.896 1
1 1634 . 17 2 2 B 8 8 TRP CB C 464 26.538 29.568 -3.030 1
1 1636 . 17 2 2 B 8 8 TRP N N 464 121.805 123.616 -1.811 1
1 1638 . 17 2 2 B 9 9 LEU H H 465 8.264 8.543 -0.279 1
1 1639 . 17 2 2 B 9 9 LEU HA H 465 4.172 3.804 0.368 1
1 1649 . 17 2 2 B 9 9 LEU C C 465 176.568 179.014 -2.446 1
1 1650 . 17 2 2 B 9 9 LEU CA C 465 55.499 58.166 -2.667 1
1 1651 . 17 2 2 B 9 9 LEU CB C 465 38.641 41.776 -3.135 1
1 1654 . 17 2 2 B 9 9 LEU N N 465 118.722 119.746 -1.024 1
1 1655 . 17 2 2 B 10 10 ARG H H 466 8.264 8.255 0.009 1
1 1656 . 17 2 2 B 10 10 ARG HA H 466 4.128 4.137 -0.009 1
1 1660 . 17 2 2 B 10 10 ARG C C 466 175.900 179.027 -3.127 1
1 1661 . 17 2 2 B 10 10 ARG CA C 466 56.888 59.066 -2.178 1
1 1662 . 17 2 2 B 10 10 ARG CB C 466 27.368 29.761 -2.393 1
1 1664 . 17 2 2 B 10 10 ARG N N 466 120.684 117.819 2.865 1
1 1665 . 17 2 2 B 11 11 ALA H H 467 8.067 8.046 0.021 1
1 1666 . 17 2 2 B 11 11 ALA HA H 467 3.978 4.128 -0.150 1
1 1670 . 17 2 2 B 11 11 ALA C C 467 175.888 180.573 -4.685 1
1 1671 . 17 2 2 B 11 11 ALA CA C 467 52.558 55.253 -2.695 1
1 1672 . 17 2 2 B 11 11 ALA CB C 467 16.041 19.084 -3.043 1
1 1673 . 17 2 2 B 11 11 ALA N N 467 121.482 122.176 -0.694 1
1 1674 . 17 2 2 B 12 12 PHE H H 468 9.052 8.020 1.032 1
1 1675 . 17 2 2 B 12 12 PHE HA H 468 4.350 4.421 -0.071 1
1 1682 . 17 2 2 B 12 12 PHE C C 468 173.951 178.322 -4.371 1
1 1683 . 17 2 2 B 12 12 PHE CA C 468 58.326 61.709 -3.383 1
1 1684 . 17 2 2 B 12 12 PHE CB C 468 37.668 38.210 -0.542 1
1 1687 . 17 2 2 B 12 12 PHE N N 468 117.615 116.376 1.239 1
1 1688 . 17 2 2 B 13 13 ASN H H 469 8.602 8.409 0.193 1
1 1689 . 17 2 2 B 13 13 ASN HA H 469 4.166 4.379 -0.213 1
1 1692 . 17 2 2 B 13 13 ASN C C 469 174.785 177.464 -2.679 1
1 1693 . 17 2 2 B 13 13 ASN CA C 469 53.709 56.744 -3.035 1
1 1694 . 17 2 2 B 13 13 ASN CB C 469 35.325 39.132 -3.807 1
1 1695 . 17 2 2 B 13 13 ASN N N 469 116.425 118.333 -1.908 1
1 1696 . 17 2 2 B 14 14 LYS H H 470 8.076 8.139 -0.063 1
1 1697 . 17 2 2 B 14 14 LYS HA H 470 4.045 4.133 -0.088 1
1 1705 . 17 2 2 B 14 14 LYS C C 470 176.194 179.545 -3.351 1
1 1706 . 17 2 2 B 14 14 LYS CA C 470 57.174 59.438 -2.264 1
1 1707 . 17 2 2 B 14 14 LYS CB C 470 30.526 32.736 -2.210 1
1 1710 . 17 2 2 B 14 14 LYS N N 470 119.958 119.596 0.362 1
1 1711 . 17 2 2 B 15 15 VAL H H 471 8.410 7.771 0.639 1
1 1712 . 17 2 2 B 15 15 VAL HA H 471 3.532 3.617 -0.085 1
1 1720 . 17 2 2 B 15 15 VAL C C 471 174.970 177.852 -2.882 1
1 1721 . 17 2 2 B 15 15 VAL CA C 471 64.190 66.906 -2.716 1
1 1722 . 17 2 2 B 15 15 VAL CB C 471 28.483 31.423 -2.940 1
1 1725 . 17 2 2 B 15 15 VAL N N 471 121.488 119.896 1.592 1
1 1726 . 17 2 2 B 16 16 ARG H H 472 8.639 8.341 0.298 1
1 1727 . 17 2 2 B 16 16 ARG HA H 472 3.763 3.937 -0.174 1
1 1733 . 17 2 2 B 16 16 ARG C C 472 175.887 178.854 -2.967 1
1 1734 . 17 2 2 B 16 16 ARG CA C 472 56.805 60.115 -3.310 1
1 1735 . 17 2 2 B 16 16 ARG CB C 472 26.506 29.967 -3.461 1
1 1738 . 17 2 2 B 16 16 ARG N N 472 119.209 119.628 -0.419 1
1 1739 . 17 2 2 B 17 17 MET H H 473 7.701 7.800 -0.099 1
1 1740 . 17 2 2 B 17 17 MET HA H 473 4.105 4.095 0.010 1
1 1747 . 17 2 2 B 17 17 MET C C 473 175.604 178.951 -3.347 1
1 1748 . 17 2 2 B 17 17 MET CA C 473 55.673 59.633 -3.960 1
1 1749 . 17 2 2 B 17 17 MET CB C 473 29.324 32.683 -3.359 1
1 1751 . 17 2 2 B 17 17 MET N N 473 117.427 119.391 -1.964 1
1 1752 . 17 2 2 B 18 18 GLN H H 474 7.733 7.997 -0.264 1
1 1753 . 17 2 2 B 18 18 GLN HA H 474 4.049 4.040 0.009 1
1 1758 . 17 2 2 B 18 18 GLN C C 474 175.931 179.340 -3.409 1
1 1759 . 17 2 2 B 18 18 GLN CA C 474 55.976 58.732 -2.756 1
1 1760 . 17 2 2 B 18 18 GLN CB C 474 24.407 28.185 -3.778 1
1 1762 . 17 2 2 B 18 18 GLN N N 474 119.752 118.443 1.309 1
1 1763 . 17 2 2 B 19 19 LEU H H 475 8.151 7.912 0.239 1
1 1764 . 17 2 2 B 19 19 LEU HA H 475 4.013 4.029 -0.016 1
1 1774 . 17 2 2 B 19 19 LEU C C 475 176.150 179.235 -3.085 1
1 1775 . 17 2 2 B 19 19 LEU CA C 475 54.386 57.570 -3.184 1
1 1776 . 17 2 2 B 19 19 LEU CB C 475 39.047 41.220 -2.173 1
1 1780 . 17 2 2 B 19 19 LEU N N 475 120.063 120.262 -0.199 1
1 1781 . 17 2 2 B 20 20 GLN H H 476 7.911 8.060 -0.149 1
1 1782 . 17 2 2 B 20 20 GLN HA H 476 3.980 3.992 -0.012 1
1 1787 . 17 2 2 B 20 20 GLN C C 476 175.284 179.138 -3.854 1
1 1788 . 17 2 2 B 20 20 GLN CA C 476 55.365 59.253 -3.888 1
1 1789 . 17 2 2 B 20 20 GLN CB C 476 25.474 28.253 -2.779 1
1 1791 . 17 2 2 B 20 20 GLN N N 476 118.054 118.962 -0.908 1
1 1792 . 17 2 2 B 21 21 GLU H H 477 7.975 8.010 -0.035 1
1 1793 . 17 2 2 B 21 21 GLU HA H 477 4.016 4.027 -0.011 1
1 1797 . 17 2 2 B 21 21 GLU C C 477 174.854 179.208 -4.354 1
1 1798 . 17 2 2 B 21 21 GLU CA C 477 55.490 58.942 -3.452 1
1 1799 . 17 2 2 B 21 21 GLU CB C 477 26.666 28.847 -2.181 1
1 1801 . 17 2 2 B 21 21 GLU N N 477 119.803 119.768 0.035 1
1 1802 . 17 2 2 B 22 22 ALA H H 478 7.726 7.374 0.352 1
1 1803 . 17 2 2 B 22 22 ALA HA H 478 4.190 4.142 0.048 1
1 1807 . 17 2 2 B 22 22 ALA C C 478 175.491 178.278 -2.787 1
1 1808 . 17 2 2 B 22 22 ALA CA C 478 50.517 54.665 -4.148 1
1 1809 . 17 2 2 B 22 22 ALA CB C 478 15.961 18.339 -2.378 1
1 1810 . 17 2 2 B 22 22 ALA N N 478 121.648 121.360 0.288 1
1 1811 . 17 2 2 B 23 23 ARG H H 479 7.645 7.458 0.187 1
1 1812 . 17 2 2 B 23 23 ARG HA H 479 4.211 4.132 0.079 1
1 1817 . 17 2 2 B 23 23 ARG C C 479 174.086 176.367 -2.281 1
1 1818 . 17 2 2 B 23 23 ARG CA C 479 53.836 58.246 -4.410 1
1 1819 . 17 2 2 B 23 23 ARG CB C 479 27.401 31.111 -3.710 1
1 1822 . 17 2 2 B 23 23 ARG N N 479 117.484 118.166 -0.682 1
1 1823 . 17 2 2 B 24 24 GLY H H 480 7.961 8.311 -0.350 1
1 1824 . 17 2 2 B 24 24 GLY HA2 H 480 3.909 4.172 -0.263 1
1 1825 . 17 2 2 B 24 24 GLY HA3 H 480 3.909 4.173 -0.264 1
1 1826 . 17 2 2 B 24 24 GLY C C 480 171.195 171.570 -0.375 1
1 1827 . 17 2 2 B 24 24 GLY CA C 480 42.457 45.740 -3.283 1
1 1828 . 17 2 2 B 24 24 GLY N N 480 107.622 109.426 -1.804 1
1 1829 . 17 2 2 B 25 25 GLU H H 481 8.163 8.516 -0.353 1
1 1830 . 17 2 2 B 25 25 GLU HA H 481 4.269 4.951 -0.682 1
1 1834 . 17 2 2 B 25 25 GLU C C 481 174.077 176.034 -1.957 1
1 1835 . 17 2 2 B 25 25 GLU CA C 481 53.780 55.078 -1.298 1
1 1836 . 17 2 2 B 25 25 GLU CB C 481 27.272 31.673 -4.401 1
1 1838 . 17 2 2 B 25 25 GLU N N 481 120.497 120.369 0.128 1
1 1839 . 17 2 2 B 26 26 GLY H H 482 8.350 8.238 0.112 1
1 1840 . 17 2 2 B 26 26 GLY HA2 H 482 3.902 4.084 -0.182 1
1 1841 . 17 2 2 B 26 26 GLY HA3 H 482 3.902 4.086 -0.184 1
1 1842 . 17 2 2 B 26 26 GLY C C 482 171.213 174.294 -3.081 1
1 1843 . 17 2 2 B 26 26 GLY CA C 482 42.485 45.421 -2.936 1
1 1844 . 17 2 2 B 26 26 GLY N N 482 108.850 112.873 -4.023 1
1 1845 . 17 2 2 B 27 27 GLU H H 483 8.142 8.844 -0.702 1
1 1846 . 17 2 2 B 27 27 GLU HA H 483 4.132 4.186 -0.054 1
1 1850 . 17 2 2 B 27 27 GLU C C 483 174.078 178.377 -4.299 1
1 1851 . 17 2 2 B 27 27 GLU CA C 483 54.039 58.321 -4.282 1
1 1852 . 17 2 2 B 27 27 GLU CB C 483 27.066 28.485 -1.419 1
1 1854 . 17 2 2 B 27 27 GLU N N 483 120.369 122.450 -2.081 1
1 1855 . 17 2 2 B 28 28 MET H H 484 8.348 8.124 0.224 1
1 1856 . 17 2 2 B 28 28 MET HA H 484 4.175 4.125 0.050 1
1 1863 . 17 2 2 B 28 28 MET C C 484 173.796 177.981 -4.185 1
1 1864 . 17 2 2 B 28 28 MET CA C 484 53.324 58.678 -5.354 1
1 1865 . 17 2 2 B 28 28 MET CB C 484 29.849 32.469 -2.620 1
1 1868 . 17 2 2 B 28 28 MET N N 484 120.436 120.657 -0.221 1
1 1869 . 17 2 2 B 29 29 SER H H 485 8.125 7.796 0.329 1
1 1870 . 17 2 2 B 29 29 SER HA H 485 4.338 4.219 0.119 1
1 1873 . 17 2 2 B 29 29 SER C C 485 171.585 175.521 -3.936 1
1 1874 . 17 2 2 B 29 29 SER CA C 485 56.067 60.903 -4.836 1
1 1875 . 17 2 2 B 29 29 SER CB C 485 60.603 62.881 -2.278 1
1 1876 . 17 2 2 B 29 29 SER N N 485 115.589 114.239 1.350 1
1 1877 . 17 2 2 B 30 30 LYS H H 486 7.986 7.822 0.164 1
1 1878 . 17 2 2 B 30 30 LYS HA H 486 4.220 4.514 -0.294 1
1 1883 . 17 2 2 B 30 30 LYS C C 486 173.803 176.691 -2.888 1
1 1884 . 17 2 2 B 30 30 LYS CA C 486 53.958 56.207 -2.249 1
1 1885 . 17 2 2 B 30 30 LYS CB C 486 30.005 32.544 -2.539 1
1 1889 . 17 2 2 B 30 30 LYS N N 486 122.255 119.653 2.602 1
1 1890 . 17 2 2 B 31 31 SER H H 487 7.972 7.792 0.180 1
1 1891 . 17 2 2 B 31 31 SER HA H 487 3.676 4.038 -0.362 1
1 1894 . 17 2 2 B 31 31 SER C C 487 171.460 176.517 -5.057 1
1 1895 . 17 2 2 B 31 31 SER CA C 487 55.826 61.660 -5.834 1
1 1896 . 17 2 2 B 31 31 SER CB C 487 61.064 62.780 -1.716 1
1 1897 . 17 2 2 B 31 31 SER N N 487 114.856 116.265 -1.409 1
1 1898 . 17 2 2 B 32 32 LEU H H 488 8.017 7.695 0.322 1
1 1899 . 17 2 2 B 32 32 LEU HA H 488 4.300 3.744 0.556 1
1 1909 . 17 2 2 B 32 32 LEU C C 488 174.074 176.876 -2.802 1
1 1910 . 17 2 2 B 32 32 LEU CA C 488 53.057 57.233 -4.176 1
1 1911 . 17 2 2 B 32 32 LEU CB C 488 39.082 40.385 -1.303 1
1 1914 . 17 2 2 B 32 32 LEU N N 488 123.172 118.482 4.690 1
1 1915 . 17 2 2 B 33 33 TRP H H 489 7.636 7.218 0.418 1
1 1916 . 17 2 2 B 33 33 TRP HA H 489 4.124 4.956 -0.832 1
1 1923 . 17 2 2 B 33 33 TRP C C 489 172.511 175.417 -2.906 1
1 1924 . 17 2 2 B 33 33 TRP CA C 489 53.958 55.757 -1.799 1
1 1925 . 17 2 2 B 33 33 TRP CB C 489 26.283 29.387 -3.104 1
1 1927 . 17 2 2 B 33 33 TRP N N 489 117.409 117.638 -0.229 1
1 1929 . 17 2 2 B 34 34 PHE H H 490 7.377 7.832 -0.455 1
1 1930 . 17 2 2 B 34 34 PHE HA H 490 4.325 4.803 -0.478 1
1 1937 . 17 2 2 B 34 34 PHE C C 490 172.418 175.358 -2.940 1
1 1938 . 17 2 2 B 34 34 PHE CA C 490 55.014 56.882 -1.868 1
1 1939 . 17 2 2 B 34 34 PHE CB C 490 36.680 40.304 -3.624 1
1 1942 . 17 2 2 B 34 34 PHE N N 490 119.308 120.123 -0.815 1
1 1943 . 17 2 2 B 35 35 LYS H H 491 7.864 7.949 -0.085 1
1 1944 . 17 2 2 B 35 35 LYS HA H 491 4.195 4.106 0.089 1
1 1950 . 17 2 2 B 35 35 LYS C C 491 172.483 177.050 -4.567 1
1 1951 . 17 2 2 B 35 35 LYS CA C 491 53.521 57.337 -3.816 1
1 1952 . 17 2 2 B 35 35 LYS CB C 491 30.222 32.927 -2.705 1
1 1956 . 17 2 2 B 35 35 LYS N N 491 123.484 121.091 2.393 1
1 1575 . 18 2 2 B 2 2 SER H H 458 8.193 8.966 -0.773 1
1 1577 . 18 2 2 B 2 2 SER C C 458 172.550 174.350 -1.800 1
1 1578 . 18 2 2 B 2 2 SER CA C 458 55.709 61.533 -5.824 1
1 1579 . 18 2 2 B 2 2 SER CB C 458 61.137 63.356 -2.219 1
1 1580 . 18 2 2 B 2 2 SER N N 458 120.637 121.620 -0.983 1
1 1581 . 18 2 2 B 3 3 ARG H H 459 8.654 7.711 0.943 1
1 1582 . 18 2 2 B 3 3 ARG HA H 459 3.838 4.527 -0.689 1
1 1584 . 18 2 2 B 3 3 ARG C C 459 174.192 175.714 -1.522 1
1 1585 . 18 2 2 B 3 3 ARG CA C 459 55.993 55.032 0.961 1
1 1586 . 18 2 2 B 3 3 ARG CB C 459 27.411 32.748 -5.337 1
1 1588 . 18 2 2 B 3 3 ARG N N 459 125.365 118.857 6.508 1
1 1589 . 18 2 2 B 4 4 ALA H H 460 8.193 8.751 -0.558 1
1 1590 . 18 2 2 B 4 4 ALA HA H 460 4.164 3.887 0.277 1
1 1594 . 18 2 2 B 4 4 ALA C C 460 176.557 179.279 -2.722 1
1 1595 . 18 2 2 B 4 4 ALA CA C 460 52.358 55.095 -2.737 1
1 1596 . 18 2 2 B 4 4 ALA CB C 460 15.958 18.243 -2.285 1
1 1597 . 18 2 2 B 4 4 ALA N N 460 120.862 125.448 -4.586 1
1 1598 . 18 2 2 B 5 5 LYS H H 461 7.900 8.187 -0.287 1
1 1599 . 18 2 2 B 5 5 LYS HA H 461 4.185 4.082 0.103 1
1 1602 . 18 2 2 B 5 5 LYS C C 461 175.175 178.852 -3.677 1
1 1603 . 18 2 2 B 5 5 LYS CA C 461 56.959 59.990 -3.031 1
1 1604 . 18 2 2 B 5 5 LYS CB C 461 28.819 32.403 -3.584 1
1 1606 . 18 2 2 B 5 5 LYS N N 461 118.064 118.910 -0.846 1
1 1607 . 18 2 2 B 6 6 ALA H H 462 7.778 8.067 -0.289 1
1 1608 . 18 2 2 B 6 6 ALA HA H 462 4.060 4.109 -0.049 1
1 1612 . 18 2 2 B 6 6 ALA C C 462 178.002 180.356 -2.354 1
1 1613 . 18 2 2 B 6 6 ALA CA C 462 52.150 55.260 -3.110 1
1 1614 . 18 2 2 B 6 6 ALA CB C 462 14.865 18.064 -3.199 1
1 1615 . 18 2 2 B 6 6 ALA N N 462 120.253 120.591 -0.338 1
1 1616 . 18 2 2 B 7 7 ASN H H 463 8.372 8.280 0.092 1
1 1617 . 18 2 2 B 7 7 ASN HA H 463 4.459 4.429 0.030 1
1 1620 . 18 2 2 B 7 7 ASN C C 463 175.009 178.114 -3.105 1
1 1621 . 18 2 2 B 7 7 ASN CA C 463 53.033 56.687 -3.654 1
1 1622 . 18 2 2 B 7 7 ASN CB C 463 35.500 38.200 -2.700 1
1 1623 . 18 2 2 B 7 7 ASN N N 463 118.243 116.120 2.123 1
1 1624 . 18 2 2 B 8 8 TRP H H 464 8.533 8.772 -0.239 1
1 1625 . 18 2 2 B 8 8 TRP HA H 464 4.203 4.089 0.114 1
1 1632 . 18 2 2 B 8 8 TRP C C 464 175.578 178.446 -2.868 1
1 1633 . 18 2 2 B 8 8 TRP CA C 464 58.190 61.071 -2.881 1
1 1634 . 18 2 2 B 8 8 TRP CB C 464 26.538 29.592 -3.054 1
1 1636 . 18 2 2 B 8 8 TRP N N 464 121.805 123.539 -1.734 1
1 1638 . 18 2 2 B 9 9 LEU H H 465 8.264 8.600 -0.336 1
1 1639 . 18 2 2 B 9 9 LEU HA H 465 4.172 3.819 0.353 1
1 1649 . 18 2 2 B 9 9 LEU C C 465 176.568 179.029 -2.461 1
1 1650 . 18 2 2 B 9 9 LEU CA C 465 55.499 58.214 -2.715 1
1 1651 . 18 2 2 B 9 9 LEU CB C 465 38.641 41.644 -3.003 1
1 1654 . 18 2 2 B 9 9 LEU N N 465 118.722 120.045 -1.323 1
1 1655 . 18 2 2 B 10 10 ARG H H 466 8.264 8.198 0.066 1
1 1656 . 18 2 2 B 10 10 ARG HA H 466 4.128 4.093 0.035 1
1 1660 . 18 2 2 B 10 10 ARG C C 466 175.900 178.956 -3.056 1
1 1661 . 18 2 2 B 10 10 ARG CA C 466 56.888 59.075 -2.187 1
1 1662 . 18 2 2 B 10 10 ARG CB C 466 27.368 29.860 -2.492 1
1 1664 . 18 2 2 B 10 10 ARG N N 466 120.684 117.942 2.742 1
1 1665 . 18 2 2 B 11 11 ALA H H 467 8.067 8.033 0.034 1
1 1666 . 18 2 2 B 11 11 ALA HA H 467 3.978 4.131 -0.153 1
1 1670 . 18 2 2 B 11 11 ALA C C 467 175.888 180.485 -4.597 1
1 1671 . 18 2 2 B 11 11 ALA CA C 467 52.558 55.198 -2.640 1
1 1672 . 18 2 2 B 11 11 ALA CB C 467 16.041 19.097 -3.056 1
1 1673 . 18 2 2 B 11 11 ALA N N 467 121.482 122.139 -0.657 1
1 1674 . 18 2 2 B 12 12 PHE H H 468 9.052 8.070 0.982 1
1 1675 . 18 2 2 B 12 12 PHE HA H 468 4.350 4.458 -0.108 1
1 1682 . 18 2 2 B 12 12 PHE C C 468 173.951 178.421 -4.470 1
1 1683 . 18 2 2 B 12 12 PHE CA C 468 58.326 61.457 -3.131 1
1 1684 . 18 2 2 B 12 12 PHE CB C 468 37.668 38.120 -0.452 1
1 1687 . 18 2 2 B 12 12 PHE N N 468 117.615 116.354 1.261 1
1 1688 . 18 2 2 B 13 13 ASN H H 469 8.602 8.549 0.053 1
1 1689 . 18 2 2 B 13 13 ASN HA H 469 4.166 4.389 -0.223 1
1 1692 . 18 2 2 B 13 13 ASN C C 469 174.785 177.464 -2.679 1
1 1693 . 18 2 2 B 13 13 ASN CA C 469 53.709 56.578 -2.869 1
1 1694 . 18 2 2 B 13 13 ASN CB C 469 35.325 38.826 -3.501 1
1 1695 . 18 2 2 B 13 13 ASN N N 469 116.425 118.532 -2.107 1
1 1696 . 18 2 2 B 14 14 LYS H H 470 8.076 8.162 -0.086 1
1 1697 . 18 2 2 B 14 14 LYS HA H 470 4.045 4.054 -0.009 1
1 1705 . 18 2 2 B 14 14 LYS C C 470 176.194 179.357 -3.163 1
1 1706 . 18 2 2 B 14 14 LYS CA C 470 57.174 59.472 -2.298 1
1 1707 . 18 2 2 B 14 14 LYS CB C 470 30.526 32.733 -2.207 1
1 1710 . 18 2 2 B 14 14 LYS N N 470 119.958 119.323 0.635 1
1 1711 . 18 2 2 B 15 15 VAL H H 471 8.410 7.492 0.918 1
1 1712 . 18 2 2 B 15 15 VAL HA H 471 3.532 3.853 -0.321 1
1 1720 . 18 2 2 B 15 15 VAL C C 471 174.970 178.051 -3.081 1
1 1721 . 18 2 2 B 15 15 VAL CA C 471 64.190 65.652 -1.462 1
1 1722 . 18 2 2 B 15 15 VAL CB C 471 28.483 31.443 -2.960 1
1 1725 . 18 2 2 B 15 15 VAL N N 471 121.488 116.025 5.463 1
1 1726 . 18 2 2 B 16 16 ARG H H 472 8.639 8.246 0.393 1
1 1727 . 18 2 2 B 16 16 ARG HA H 472 3.763 3.916 -0.153 1
1 1733 . 18 2 2 B 16 16 ARG C C 472 175.887 178.980 -3.093 1
1 1734 . 18 2 2 B 16 16 ARG CA C 472 56.805 60.234 -3.429 1
1 1735 . 18 2 2 B 16 16 ARG CB C 472 26.506 29.923 -3.417 1
1 1738 . 18 2 2 B 16 16 ARG N N 472 119.209 122.016 -2.807 1
1 1739 . 18 2 2 B 17 17 MET H H 473 7.701 8.124 -0.423 1
1 1740 . 18 2 2 B 17 17 MET HA H 473 4.105 4.130 -0.025 1
1 1747 . 18 2 2 B 17 17 MET C C 473 175.604 177.963 -2.359 1
1 1748 . 18 2 2 B 17 17 MET CA C 473 55.673 59.185 -3.512 1
1 1749 . 18 2 2 B 17 17 MET CB C 473 29.324 31.980 -2.656 1
1 1751 . 18 2 2 B 17 17 MET N N 473 117.427 119.333 -1.906 1
1 1752 . 18 2 2 B 18 18 GLN H H 474 7.733 8.095 -0.362 1
1 1753 . 18 2 2 B 18 18 GLN HA H 474 4.049 4.121 -0.072 1
1 1758 . 18 2 2 B 18 18 GLN C C 474 175.931 178.147 -2.216 1
1 1759 . 18 2 2 B 18 18 GLN CA C 474 55.976 58.605 -2.629 1
1 1760 . 18 2 2 B 18 18 GLN CB C 474 24.407 27.821 -3.414 1
1 1762 . 18 2 2 B 18 18 GLN N N 474 119.752 118.591 1.161 1
1 1763 . 18 2 2 B 19 19 LEU H H 475 8.151 8.214 -0.063 1
1 1764 . 18 2 2 B 19 19 LEU HA H 475 4.013 3.932 0.081 1
1 1774 . 18 2 2 B 19 19 LEU C C 475 176.150 179.288 -3.138 1
1 1775 . 18 2 2 B 19 19 LEU CA C 475 54.386 58.069 -3.683 1
1 1776 . 18 2 2 B 19 19 LEU CB C 475 39.047 41.388 -2.341 1
1 1780 . 18 2 2 B 19 19 LEU N N 475 120.063 121.433 -1.370 1
1 1781 . 18 2 2 B 20 20 GLN H H 476 7.911 8.385 -0.474 1
1 1782 . 18 2 2 B 20 20 GLN HA H 476 3.980 3.954 0.026 1
1 1787 . 18 2 2 B 20 20 GLN C C 476 175.284 178.386 -3.102 1
1 1788 . 18 2 2 B 20 20 GLN CA C 476 55.365 59.301 -3.936 1
1 1789 . 18 2 2 B 20 20 GLN CB C 476 25.474 28.384 -2.910 1
1 1791 . 18 2 2 B 20 20 GLN N N 476 118.054 118.761 -0.707 1
1 1792 . 18 2 2 B 21 21 GLU H H 477 7.975 7.896 0.079 1
1 1793 . 18 2 2 B 21 21 GLU HA H 477 4.016 4.079 -0.063 1
1 1797 . 18 2 2 B 21 21 GLU C C 477 174.854 178.909 -4.055 1
1 1798 . 18 2 2 B 21 21 GLU CA C 477 55.490 59.187 -3.697 1
1 1799 . 18 2 2 B 21 21 GLU CB C 477 26.666 29.266 -2.600 1
1 1801 . 18 2 2 B 21 21 GLU N N 477 119.803 119.575 0.228 1
1 1802 . 18 2 2 B 22 22 ALA H H 478 7.726 7.075 0.651 1
1 1803 . 18 2 2 B 22 22 ALA HA H 478 4.190 4.129 0.061 1
1 1807 . 18 2 2 B 22 22 ALA C C 478 175.491 178.066 -2.575 1
1 1808 . 18 2 2 B 22 22 ALA CA C 478 50.517 54.248 -3.731 1
1 1809 . 18 2 2 B 22 22 ALA CB C 478 15.961 18.192 -2.231 1
1 1810 . 18 2 2 B 22 22 ALA N N 478 121.648 120.504 1.144 1
1 1811 . 18 2 2 B 23 23 ARG H H 479 7.645 7.413 0.232 1
1 1812 . 18 2 2 B 23 23 ARG HA H 479 4.211 4.189 0.022 1
1 1817 . 18 2 2 B 23 23 ARG C C 479 174.086 176.689 -2.603 1
1 1818 . 18 2 2 B 23 23 ARG CA C 479 53.836 57.923 -4.087 1
1 1819 . 18 2 2 B 23 23 ARG CB C 479 27.401 30.874 -3.473 1
1 1822 . 18 2 2 B 23 23 ARG N N 479 117.484 118.582 -1.098 1
1 1823 . 18 2 2 B 24 24 GLY H H 480 7.961 8.527 -0.566 1
1 1824 . 18 2 2 B 24 24 GLY HA2 H 480 3.909 4.104 -0.195 1
1 1825 . 18 2 2 B 24 24 GLY HA3 H 480 3.909 4.105 -0.196 1
1 1826 . 18 2 2 B 24 24 GLY C C 480 171.195 174.793 -3.598 1
1 1827 . 18 2 2 B 24 24 GLY CA C 480 42.457 45.673 -3.216 1
1 1828 . 18 2 2 B 24 24 GLY N N 480 107.622 110.834 -3.212 1
1 1829 . 18 2 2 B 25 25 GLU H H 481 8.163 8.178 -0.015 1
1 1830 . 18 2 2 B 25 25 GLU HA H 481 4.269 4.415 -0.146 1
1 1834 . 18 2 2 B 25 25 GLU C C 481 174.077 175.548 -1.471 1
1 1835 . 18 2 2 B 25 25 GLU CA C 481 53.780 58.074 -4.294 1
1 1836 . 18 2 2 B 25 25 GLU CB C 481 27.272 28.641 -1.369 1
1 1838 . 18 2 2 B 25 25 GLU N N 481 120.497 116.264 4.233 1
1 1839 . 18 2 2 B 26 26 GLY H H 482 8.350 8.513 -0.163 1
1 1840 . 18 2 2 B 26 26 GLY HA2 H 482 3.902 4.120 -0.218 1
1 1841 . 18 2 2 B 26 26 GLY HA3 H 482 3.902 4.120 -0.218 1
1 1842 . 18 2 2 B 26 26 GLY C C 482 171.213 171.978 -0.765 1
1 1843 . 18 2 2 B 26 26 GLY CA C 482 42.485 45.789 -3.304 1
1 1844 . 18 2 2 B 26 26 GLY N N 482 108.850 109.929 -1.079 1
1 1845 . 18 2 2 B 27 27 GLU H H 483 8.142 9.121 -0.979 1
1 1846 . 18 2 2 B 27 27 GLU HA H 483 4.132 5.059 -0.927 1
1 1850 . 18 2 2 B 27 27 GLU C C 483 174.078 174.452 -0.374 1
1 1851 . 18 2 2 B 27 27 GLU CA C 483 54.039 54.240 -0.201 1
1 1852 . 18 2 2 B 27 27 GLU CB C 483 27.066 33.667 -6.601 1
1 1854 . 18 2 2 B 27 27 GLU N N 483 120.369 122.986 -2.617 1
1 1855 . 18 2 2 B 28 28 MET H H 484 8.348 8.741 -0.393 1
1 1856 . 18 2 2 B 28 28 MET HA H 484 4.175 4.924 -0.749 1
1 1863 . 18 2 2 B 28 28 MET C C 484 173.796 176.341 -2.545 1
1 1864 . 18 2 2 B 28 28 MET CA C 484 53.324 54.133 -0.809 1
1 1865 . 18 2 2 B 28 28 MET CB C 484 29.849 36.198 -6.349 1
1 1868 . 18 2 2 B 28 28 MET N N 484 120.436 121.173 -0.737 1
1 1869 . 18 2 2 B 29 29 SER H H 485 8.125 8.630 -0.505 1
1 1870 . 18 2 2 B 29 29 SER HA H 485 4.338 4.268 0.070 1
1 1873 . 18 2 2 B 29 29 SER C C 485 171.585 174.776 -3.191 1
1 1874 . 18 2 2 B 29 29 SER CA C 485 56.067 61.425 -5.358 1
1 1875 . 18 2 2 B 29 29 SER CB C 485 60.603 62.956 -2.353 1
1 1876 . 18 2 2 B 29 29 SER N N 485 115.589 117.297 -1.708 1
1 1877 . 18 2 2 B 30 30 LYS H H 486 7.986 7.755 0.231 1
1 1878 . 18 2 2 B 30 30 LYS HA H 486 4.220 4.826 -0.606 1
1 1883 . 18 2 2 B 30 30 LYS C C 486 173.803 175.605 -1.802 1
1 1884 . 18 2 2 B 30 30 LYS CA C 486 53.958 55.211 -1.253 1
1 1885 . 18 2 2 B 30 30 LYS CB C 486 30.005 33.999 -3.994 1
1 1889 . 18 2 2 B 30 30 LYS N N 486 122.255 120.168 2.087 1
1 1890 . 18 2 2 B 31 31 SER H H 487 7.972 8.771 -0.799 1
1 1891 . 18 2 2 B 31 31 SER HA H 487 3.676 5.355 -1.679 1
1 1894 . 18 2 2 B 31 31 SER C C 487 171.460 172.852 -1.392 1
1 1895 . 18 2 2 B 31 31 SER CA C 487 55.826 57.275 -1.449 1
1 1896 . 18 2 2 B 31 31 SER CB C 487 61.064 66.256 -5.192 1
1 1897 . 18 2 2 B 31 31 SER N N 487 114.856 120.778 -5.922 1
1 1898 . 18 2 2 B 32 32 LEU H H 488 8.017 8.340 -0.323 1
1 1899 . 18 2 2 B 32 32 LEU HA H 488 4.300 3.875 0.425 1
1 1909 . 18 2 2 B 32 32 LEU C C 488 174.074 175.315 -1.241 1
1 1910 . 18 2 2 B 32 32 LEU CA C 488 53.057 54.276 -1.219 1
1 1911 . 18 2 2 B 32 32 LEU CB C 488 39.082 40.826 -1.744 1
1 1914 . 18 2 2 B 32 32 LEU N N 488 123.172 119.124 4.048 1
1 1915 . 18 2 2 B 33 33 TRP H H 489 7.636 7.410 0.226 1
1 1916 . 18 2 2 B 33 33 TRP HA H 489 4.124 4.616 -0.492 1
1 1923 . 18 2 2 B 33 33 TRP C C 489 172.511 174.993 -2.482 1
1 1924 . 18 2 2 B 33 33 TRP CA C 489 53.958 58.041 -4.083 1
1 1925 . 18 2 2 B 33 33 TRP CB C 489 26.283 31.345 -5.062 1
1 1927 . 18 2 2 B 33 33 TRP N N 489 117.409 122.167 -4.758 1
1 1929 . 18 2 2 B 34 34 PHE H H 490 7.377 8.237 -0.860 1
1 1930 . 18 2 2 B 34 34 PHE HA H 490 4.325 5.048 -0.723 1
1 1937 . 18 2 2 B 34 34 PHE C C 490 172.418 175.463 -3.045 1
1 1938 . 18 2 2 B 34 34 PHE CA C 490 55.014 57.473 -2.459 1
1 1939 . 18 2 2 B 34 34 PHE CB C 490 36.680 40.305 -3.625 1
1 1942 . 18 2 2 B 34 34 PHE N N 490 119.308 115.443 3.865 1
1 1943 . 18 2 2 B 35 35 LYS H H 491 7.864 8.996 -1.132 1
1 1944 . 18 2 2 B 35 35 LYS HA H 491 4.195 4.639 -0.444 1
1 1950 . 18 2 2 B 35 35 LYS C C 491 172.483 175.911 -3.428 1
1 1951 . 18 2 2 B 35 35 LYS CA C 491 53.521 55.658 -2.137 1
1 1952 . 18 2 2 B 35 35 LYS CB C 491 30.222 32.823 -2.601 1
1 1956 . 18 2 2 B 35 35 LYS N N 491 123.484 123.662 -0.178 1
1 1575 . 19 2 2 B 2 2 SER H H 458 8.193 8.147 0.046 1
1 1577 . 19 2 2 B 2 2 SER C C 458 172.550 174.265 -1.715 1
1 1578 . 19 2 2 B 2 2 SER CA C 458 55.709 60.992 -5.283 1
1 1579 . 19 2 2 B 2 2 SER CB C 458 61.137 63.056 -1.919 1
1 1580 . 19 2 2 B 2 2 SER N N 458 120.637 117.509 3.128 1
1 1581 . 19 2 2 B 3 3 ARG H H 459 8.654 7.652 1.002 1
1 1582 . 19 2 2 B 3 3 ARG HA H 459 3.838 4.664 -0.826 1
1 1584 . 19 2 2 B 3 3 ARG C C 459 174.192 176.661 -2.469 1
1 1585 . 19 2 2 B 3 3 ARG CA C 459 55.993 54.751 1.242 1
1 1586 . 19 2 2 B 3 3 ARG CB C 459 27.411 32.277 -4.866 1
1 1588 . 19 2 2 B 3 3 ARG N N 459 125.365 121.106 4.259 1
1 1589 . 19 2 2 B 4 4 ALA H H 460 8.193 8.909 -0.716 1
1 1590 . 19 2 2 B 4 4 ALA HA H 460 4.164 3.977 0.187 1
1 1594 . 19 2 2 B 4 4 ALA C C 460 176.557 179.468 -2.911 1
1 1595 . 19 2 2 B 4 4 ALA CA C 460 52.358 54.697 -2.339 1
1 1596 . 19 2 2 B 4 4 ALA CB C 460 15.958 18.280 -2.322 1
1 1597 . 19 2 2 B 4 4 ALA N N 460 120.862 127.697 -6.835 1
1 1598 . 19 2 2 B 5 5 LYS H H 461 7.900 8.126 -0.226 1
1 1599 . 19 2 2 B 5 5 LYS HA H 461 4.185 4.158 0.027 1
1 1602 . 19 2 2 B 5 5 LYS C C 461 175.175 178.800 -3.625 1
1 1603 . 19 2 2 B 5 5 LYS CA C 461 56.959 59.853 -2.894 1
1 1604 . 19 2 2 B 5 5 LYS CB C 461 28.819 32.575 -3.756 1
1 1606 . 19 2 2 B 5 5 LYS N N 461 118.064 118.777 -0.713 1
1 1607 . 19 2 2 B 6 6 ALA H H 462 7.778 8.094 -0.316 1
1 1608 . 19 2 2 B 6 6 ALA HA H 462 4.060 4.096 -0.036 1
1 1612 . 19 2 2 B 6 6 ALA C C 462 178.002 180.293 -2.291 1
1 1613 . 19 2 2 B 6 6 ALA CA C 462 52.150 55.336 -3.186 1
1 1614 . 19 2 2 B 6 6 ALA CB C 462 14.865 18.311 -3.446 1
1 1615 . 19 2 2 B 6 6 ALA N N 462 120.253 120.408 -0.155 1
1 1616 . 19 2 2 B 7 7 ASN H H 463 8.372 8.249 0.123 1
1 1617 . 19 2 2 B 7 7 ASN HA H 463 4.459 4.436 0.023 1
1 1620 . 19 2 2 B 7 7 ASN C C 463 175.009 178.019 -3.010 1
1 1621 . 19 2 2 B 7 7 ASN CA C 463 53.033 57.008 -3.975 1
1 1622 . 19 2 2 B 7 7 ASN CB C 463 35.500 38.466 -2.966 1
1 1623 . 19 2 2 B 7 7 ASN N N 463 118.243 115.777 2.466 1
1 1624 . 19 2 2 B 8 8 TRP H H 464 8.533 8.834 -0.301 1
1 1625 . 19 2 2 B 8 8 TRP HA H 464 4.203 4.114 0.089 1
1 1632 . 19 2 2 B 8 8 TRP C C 464 175.578 178.182 -2.604 1
1 1633 . 19 2 2 B 8 8 TRP CA C 464 58.190 61.244 -3.054 1
1 1634 . 19 2 2 B 8 8 TRP CB C 464 26.538 29.295 -2.757 1
1 1636 . 19 2 2 B 8 8 TRP N N 464 121.805 123.508 -1.703 1
1 1638 . 19 2 2 B 9 9 LEU H H 465 8.264 8.768 -0.504 1
1 1639 . 19 2 2 B 9 9 LEU HA H 465 4.172 3.735 0.437 1
1 1649 . 19 2 2 B 9 9 LEU C C 465 176.568 178.895 -2.327 1
1 1650 . 19 2 2 B 9 9 LEU CA C 465 55.499 58.190 -2.691 1
1 1651 . 19 2 2 B 9 9 LEU CB C 465 38.641 41.646 -3.005 1
1 1654 . 19 2 2 B 9 9 LEU N N 465 118.722 120.050 -1.328 1
1 1655 . 19 2 2 B 10 10 ARG H H 466 8.264 8.256 0.008 1
1 1656 . 19 2 2 B 10 10 ARG HA H 466 4.128 4.081 0.047 1
1 1660 . 19 2 2 B 10 10 ARG C C 466 175.900 179.021 -3.121 1
1 1661 . 19 2 2 B 10 10 ARG CA C 466 56.888 59.098 -2.210 1
1 1662 . 19 2 2 B 10 10 ARG CB C 466 27.368 29.860 -2.492 1
1 1664 . 19 2 2 B 10 10 ARG N N 466 120.684 118.048 2.636 1
1 1665 . 19 2 2 B 11 11 ALA H H 467 8.067 8.108 -0.041 1
1 1666 . 19 2 2 B 11 11 ALA HA H 467 3.978 4.145 -0.167 1
1 1670 . 19 2 2 B 11 11 ALA C C 467 175.888 180.656 -4.768 1
1 1671 . 19 2 2 B 11 11 ALA CA C 467 52.558 55.277 -2.719 1
1 1672 . 19 2 2 B 11 11 ALA CB C 467 16.041 19.224 -3.183 1
1 1673 . 19 2 2 B 11 11 ALA N N 467 121.482 122.241 -0.759 1
1 1674 . 19 2 2 B 12 12 PHE H H 468 9.052 8.256 0.796 1
1 1675 . 19 2 2 B 12 12 PHE HA H 468 4.350 4.444 -0.094 1
1 1682 . 19 2 2 B 12 12 PHE C C 468 173.951 178.356 -4.405 1
1 1683 . 19 2 2 B 12 12 PHE CA C 468 58.326 61.275 -2.949 1
1 1684 . 19 2 2 B 12 12 PHE CB C 468 37.668 38.005 -0.337 1
1 1687 . 19 2 2 B 12 12 PHE N N 468 117.615 116.358 1.257 1
1 1688 . 19 2 2 B 13 13 ASN H H 469 8.602 8.568 0.034 1
1 1689 . 19 2 2 B 13 13 ASN HA H 469 4.166 4.363 -0.197 1
1 1692 . 19 2 2 B 13 13 ASN C C 469 174.785 177.487 -2.702 1
1 1693 . 19 2 2 B 13 13 ASN CA C 469 53.709 56.740 -3.031 1
1 1694 . 19 2 2 B 13 13 ASN CB C 469 35.325 38.732 -3.407 1
1 1695 . 19 2 2 B 13 13 ASN N N 469 116.425 118.700 -2.275 1
1 1696 . 19 2 2 B 14 14 LYS H H 470 8.076 8.193 -0.117 1
1 1697 . 19 2 2 B 14 14 LYS HA H 470 4.045 4.077 -0.032 1
1 1705 . 19 2 2 B 14 14 LYS C C 470 176.194 179.409 -3.215 1
1 1706 . 19 2 2 B 14 14 LYS CA C 470 57.174 59.432 -2.258 1
1 1707 . 19 2 2 B 14 14 LYS CB C 470 30.526 32.778 -2.252 1
1 1710 . 19 2 2 B 14 14 LYS N N 470 119.958 119.472 0.486 1
1 1711 . 19 2 2 B 15 15 VAL H H 471 8.410 7.649 0.761 1
1 1712 . 19 2 2 B 15 15 VAL HA H 471 3.532 3.556 -0.024 1
1 1720 . 19 2 2 B 15 15 VAL C C 471 174.970 178.245 -3.275 1
1 1721 . 19 2 2 B 15 15 VAL CA C 471 64.190 66.609 -2.419 1
1 1722 . 19 2 2 B 15 15 VAL CB C 471 28.483 31.649 -3.166 1
1 1725 . 19 2 2 B 15 15 VAL N N 471 121.488 119.826 1.662 1
1 1726 . 19 2 2 B 16 16 ARG H H 472 8.639 8.459 0.180 1
1 1727 . 19 2 2 B 16 16 ARG HA H 472 3.763 3.944 -0.181 1
1 1733 . 19 2 2 B 16 16 ARG C C 472 175.887 178.775 -2.888 1
1 1734 . 19 2 2 B 16 16 ARG CA C 472 56.805 60.136 -3.331 1
1 1735 . 19 2 2 B 16 16 ARG CB C 472 26.506 30.047 -3.541 1
1 1738 . 19 2 2 B 16 16 ARG N N 472 119.209 119.472 -0.263 1
1 1739 . 19 2 2 B 17 17 MET H H 473 7.701 8.294 -0.593 1
1 1740 . 19 2 2 B 17 17 MET HA H 473 4.105 4.095 0.010 1
1 1747 . 19 2 2 B 17 17 MET C C 473 175.604 177.962 -2.358 1
1 1748 . 19 2 2 B 17 17 MET CA C 473 55.673 59.757 -4.084 1
1 1749 . 19 2 2 B 17 17 MET CB C 473 29.324 32.652 -3.328 1
1 1751 . 19 2 2 B 17 17 MET N N 473 117.427 119.416 -1.989 1
1 1752 . 19 2 2 B 18 18 GLN H H 474 7.733 8.417 -0.684 1
1 1753 . 19 2 2 B 18 18 GLN HA H 474 4.049 4.085 -0.036 1
1 1758 . 19 2 2 B 18 18 GLN C C 474 175.931 177.853 -1.922 1
1 1759 . 19 2 2 B 18 18 GLN CA C 474 55.976 58.606 -2.630 1
1 1760 . 19 2 2 B 18 18 GLN CB C 474 24.407 27.816 -3.409 1
1 1762 . 19 2 2 B 18 18 GLN N N 474 119.752 118.324 1.428 1
1 1763 . 19 2 2 B 19 19 LEU H H 475 8.151 8.092 0.059 1
1 1764 . 19 2 2 B 19 19 LEU HA H 475 4.013 3.991 0.022 1
1 1774 . 19 2 2 B 19 19 LEU C C 475 176.150 179.129 -2.979 1
1 1775 . 19 2 2 B 19 19 LEU CA C 475 54.386 57.769 -3.383 1
1 1776 . 19 2 2 B 19 19 LEU CB C 475 39.047 41.223 -2.176 1
1 1780 . 19 2 2 B 19 19 LEU N N 475 120.063 121.841 -1.778 1
1 1781 . 19 2 2 B 20 20 GLN H H 476 7.911 7.875 0.036 1
1 1782 . 19 2 2 B 20 20 GLN HA H 476 3.980 3.872 0.108 1
1 1787 . 19 2 2 B 20 20 GLN C C 476 175.284 178.410 -3.126 1
1 1788 . 19 2 2 B 20 20 GLN CA C 476 55.365 59.359 -3.994 1
1 1789 . 19 2 2 B 20 20 GLN CB C 476 25.474 28.046 -2.572 1
1 1791 . 19 2 2 B 20 20 GLN N N 476 118.054 119.289 -1.235 1
1 1792 . 19 2 2 B 21 21 GLU H H 477 7.975 8.180 -0.205 1
1 1793 . 19 2 2 B 21 21 GLU HA H 477 4.016 4.063 -0.047 1
1 1797 . 19 2 2 B 21 21 GLU C C 477 174.854 179.100 -4.246 1
1 1798 . 19 2 2 B 21 21 GLU CA C 477 55.490 59.209 -3.719 1
1 1799 . 19 2 2 B 21 21 GLU CB C 477 26.666 29.266 -2.600 1
1 1801 . 19 2 2 B 21 21 GLU N N 477 119.803 119.178 0.625 1
1 1802 . 19 2 2 B 22 22 ALA H H 478 7.726 7.233 0.493 1
1 1803 . 19 2 2 B 22 22 ALA HA H 478 4.190 4.141 0.049 1
1 1807 . 19 2 2 B 22 22 ALA C C 478 175.491 178.041 -2.550 1
1 1808 . 19 2 2 B 22 22 ALA CA C 478 50.517 54.319 -3.802 1
1 1809 . 19 2 2 B 22 22 ALA CB C 478 15.961 18.162 -2.201 1
1 1810 . 19 2 2 B 22 22 ALA N N 478 121.648 120.802 0.846 1
1 1811 . 19 2 2 B 23 23 ARG H H 479 7.645 7.427 0.218 1
1 1812 . 19 2 2 B 23 23 ARG HA H 479 4.211 4.116 0.095 1
1 1817 . 19 2 2 B 23 23 ARG C C 479 174.086 176.378 -2.292 1
1 1818 . 19 2 2 B 23 23 ARG CA C 479 53.836 58.139 -4.303 1
1 1819 . 19 2 2 B 23 23 ARG CB C 479 27.401 31.031 -3.630 1
1 1822 . 19 2 2 B 23 23 ARG N N 479 117.484 118.318 -0.834 1
1 1823 . 19 2 2 B 24 24 GLY H H 480 7.961 8.389 -0.428 1
1 1824 . 19 2 2 B 24 24 GLY HA2 H 480 3.909 4.171 -0.262 1
1 1825 . 19 2 2 B 24 24 GLY HA3 H 480 3.909 4.172 -0.263 1
1 1826 . 19 2 2 B 24 24 GLY C C 480 171.195 173.674 -2.479 1
1 1827 . 19 2 2 B 24 24 GLY CA C 480 42.457 45.554 -3.097 1
1 1828 . 19 2 2 B 24 24 GLY N N 480 107.622 110.384 -2.762 1
1 1829 . 19 2 2 B 25 25 GLU H H 481 8.163 9.203 -1.040 1
1 1830 . 19 2 2 B 25 25 GLU HA H 481 4.269 3.969 0.300 1
1 1834 . 19 2 2 B 25 25 GLU C C 481 174.077 176.477 -2.400 1
1 1835 . 19 2 2 B 25 25 GLU CA C 481 53.780 58.757 -4.977 1
1 1836 . 19 2 2 B 25 25 GLU CB C 481 27.272 28.257 -0.985 1
1 1838 . 19 2 2 B 25 25 GLU N N 481 120.497 119.071 1.426 1
1 1839 . 19 2 2 B 26 26 GLY H H 482 8.350 8.068 0.282 1
1 1840 . 19 2 2 B 26 26 GLY HA2 H 482 3.902 4.093 -0.191 1
1 1841 . 19 2 2 B 26 26 GLY HA3 H 482 3.902 4.097 -0.195 1
1 1842 . 19 2 2 B 26 26 GLY C C 482 171.213 174.719 -3.506 1
1 1843 . 19 2 2 B 26 26 GLY CA C 482 42.485 44.304 -1.819 1
1 1844 . 19 2 2 B 26 26 GLY N N 482 108.850 106.064 2.786 1
1 1845 . 19 2 2 B 27 27 GLU H H 483 8.142 8.700 -0.558 1
1 1846 . 19 2 2 B 27 27 GLU HA H 483 4.132 4.039 0.093 1
1 1850 . 19 2 2 B 27 27 GLU C C 483 174.078 176.597 -2.519 1
1 1851 . 19 2 2 B 27 27 GLU CA C 483 54.039 58.996 -4.957 1
1 1852 . 19 2 2 B 27 27 GLU CB C 483 27.066 29.402 -2.336 1
1 1854 . 19 2 2 B 27 27 GLU N N 483 120.369 120.811 -0.442 1
1 1855 . 19 2 2 B 28 28 MET H H 484 8.348 7.904 0.444 1
1 1856 . 19 2 2 B 28 28 MET HA H 484 4.175 4.687 -0.512 1
1 1863 . 19 2 2 B 28 28 MET C C 484 173.796 175.693 -1.897 1
1 1864 . 19 2 2 B 28 28 MET CA C 484 53.324 53.848 -0.524 1
1 1865 . 19 2 2 B 28 28 MET CB C 484 29.849 30.890 -1.041 1
1 1868 . 19 2 2 B 28 28 MET N N 484 120.436 116.697 3.739 1
1 1869 . 19 2 2 B 29 29 SER H H 485 8.125 8.728 -0.603 1
1 1870 . 19 2 2 B 29 29 SER HA H 485 4.338 4.560 -0.222 1
1 1873 . 19 2 2 B 29 29 SER C C 485 171.585 173.863 -2.278 1
1 1874 . 19 2 2 B 29 29 SER CA C 485 56.067 58.531 -2.464 1
1 1875 . 19 2 2 B 29 29 SER CB C 485 60.603 63.689 -3.086 1
1 1876 . 19 2 2 B 29 29 SER N N 485 115.589 120.957 -5.368 1
1 1877 . 19 2 2 B 30 30 LYS H H 486 7.986 7.629 0.357 1
1 1878 . 19 2 2 B 30 30 LYS HA H 486 4.220 4.548 -0.328 1
1 1883 . 19 2 2 B 30 30 LYS C C 486 173.803 176.416 -2.613 1
1 1884 . 19 2 2 B 30 30 LYS CA C 486 53.958 54.624 -0.666 1
1 1885 . 19 2 2 B 30 30 LYS CB C 486 30.005 32.124 -2.119 1
1 1889 . 19 2 2 B 30 30 LYS N N 486 122.255 121.586 0.669 1
1 1890 . 19 2 2 B 31 31 SER H H 487 7.972 8.203 -0.231 1
1 1891 . 19 2 2 B 31 31 SER HA H 487 3.676 4.024 -0.348 1
1 1894 . 19 2 2 B 31 31 SER C C 487 171.460 174.936 -3.476 1
1 1895 . 19 2 2 B 31 31 SER CA C 487 55.826 61.955 -6.129 1
1 1896 . 19 2 2 B 31 31 SER CB C 487 61.064 62.987 -1.923 1
1 1897 . 19 2 2 B 31 31 SER N N 487 114.856 118.194 -3.338 1
1 1898 . 19 2 2 B 32 32 LEU H H 488 8.017 7.401 0.616 1
1 1899 . 19 2 2 B 32 32 LEU HA H 488 4.300 3.982 0.318 1
1 1909 . 19 2 2 B 32 32 LEU C C 488 174.074 176.987 -2.913 1
1 1910 . 19 2 2 B 32 32 LEU CA C 488 53.057 52.618 0.439 1
1 1911 . 19 2 2 B 32 32 LEU CB C 488 39.082 42.887 -3.805 1
1 1914 . 19 2 2 B 32 32 LEU N N 488 123.172 116.988 6.184 1
1 1915 . 19 2 2 B 33 33 TRP H H 489 7.636 8.356 -0.720 1
1 1916 . 19 2 2 B 33 33 TRP HA H 489 4.124 4.488 -0.364 1
1 1923 . 19 2 2 B 33 33 TRP C C 489 172.511 175.840 -3.329 1
1 1924 . 19 2 2 B 33 33 TRP CA C 489 53.958 60.275 -6.317 1
1 1925 . 19 2 2 B 33 33 TRP CB C 489 26.283 28.958 -2.675 1
1 1927 . 19 2 2 B 33 33 TRP N N 489 117.409 121.853 -4.444 1
1 1929 . 19 2 2 B 34 34 PHE H H 490 7.377 8.856 -1.479 1
1 1930 . 19 2 2 B 34 34 PHE HA H 490 4.325 5.079 -0.754 1
1 1937 . 19 2 2 B 34 34 PHE C C 490 172.418 175.308 -2.890 1
1 1938 . 19 2 2 B 34 34 PHE CA C 490 55.014 56.851 -1.837 1
1 1939 . 19 2 2 B 34 34 PHE CB C 490 36.680 40.926 -4.246 1
1 1942 . 19 2 2 B 34 34 PHE N N 490 119.308 124.768 -5.460 1
1 1943 . 19 2 2 B 35 35 LYS H H 491 7.864 8.688 -0.824 1
1 1944 . 19 2 2 B 35 35 LYS HA H 491 4.195 4.523 -0.328 1
1 1950 . 19 2 2 B 35 35 LYS C C 491 172.483 175.952 -3.469 1
1 1951 . 19 2 2 B 35 35 LYS CA C 491 53.521 55.951 -2.430 1
1 1952 . 19 2 2 B 35 35 LYS CB C 491 30.222 32.843 -2.621 1
1 1956 . 19 2 2 B 35 35 LYS N N 491 123.484 127.193 -3.709 1
1 1575 . 20 2 2 B 2 2 SER H H 458 8.193 8.317 -0.124 1
1 1577 . 20 2 2 B 2 2 SER C C 458 172.550 174.274 -1.724 1
1 1578 . 20 2 2 B 2 2 SER CA C 458 55.709 60.940 -5.231 1
1 1579 . 20 2 2 B 2 2 SER CB C 458 61.137 62.753 -1.616 1
1 1580 . 20 2 2 B 2 2 SER N N 458 120.637 114.102 6.535 1
1 1581 . 20 2 2 B 3 3 ARG H H 459 8.654 7.697 0.957 1
1 1582 . 20 2 2 B 3 3 ARG HA H 459 3.838 4.580 -0.742 1
1 1584 . 20 2 2 B 3 3 ARG C C 459 174.192 176.864 -2.672 1
1 1585 . 20 2 2 B 3 3 ARG CA C 459 55.993 55.077 0.916 1
1 1586 . 20 2 2 B 3 3 ARG CB C 459 27.411 31.866 -4.455 1
1 1588 . 20 2 2 B 3 3 ARG N N 459 125.365 122.164 3.201 1
1 1589 . 20 2 2 B 4 4 ALA H H 460 8.193 8.934 -0.741 1
1 1590 . 20 2 2 B 4 4 ALA HA H 460 4.164 3.944 0.220 1
1 1594 . 20 2 2 B 4 4 ALA C C 460 176.557 179.493 -2.936 1
1 1595 . 20 2 2 B 4 4 ALA CA C 460 52.358 54.760 -2.402 1
1 1596 . 20 2 2 B 4 4 ALA CB C 460 15.958 18.316 -2.358 1
1 1597 . 20 2 2 B 4 4 ALA N N 460 120.862 127.527 -6.665 1
1 1598 . 20 2 2 B 5 5 LYS H H 461 7.900 8.166 -0.266 1
1 1599 . 20 2 2 B 5 5 LYS HA H 461 4.185 4.249 -0.064 1
1 1602 . 20 2 2 B 5 5 LYS C C 461 175.175 178.776 -3.601 1
1 1603 . 20 2 2 B 5 5 LYS CA C 461 56.959 59.900 -2.941 1
1 1604 . 20 2 2 B 5 5 LYS CB C 461 28.819 32.476 -3.657 1
1 1606 . 20 2 2 B 5 5 LYS N N 461 118.064 118.858 -0.794 1
1 1607 . 20 2 2 B 6 6 ALA H H 462 7.778 7.611 0.167 1
1 1608 . 20 2 2 B 6 6 ALA HA H 462 4.060 4.115 -0.055 1
1 1612 . 20 2 2 B 6 6 ALA C C 462 178.002 178.980 -0.978 1
1 1613 . 20 2 2 B 6 6 ALA CA C 462 52.150 55.384 -3.234 1
1 1614 . 20 2 2 B 6 6 ALA CB C 462 14.865 18.203 -3.338 1
1 1615 . 20 2 2 B 6 6 ALA N N 462 120.253 120.490 -0.237 1
1 1616 . 20 2 2 B 7 7 ASN H H 463 8.372 8.236 0.136 1
1 1617 . 20 2 2 B 7 7 ASN HA H 463 4.459 4.498 -0.039 1
1 1620 . 20 2 2 B 7 7 ASN C C 463 175.009 177.357 -2.348 1
1 1621 . 20 2 2 B 7 7 ASN CA C 463 53.033 56.359 -3.326 1
1 1622 . 20 2 2 B 7 7 ASN CB C 463 35.500 38.858 -3.358 1
1 1623 . 20 2 2 B 7 7 ASN N N 463 118.243 116.527 1.716 1
1 1624 . 20 2 2 B 8 8 TRP H H 464 8.533 8.799 -0.266 1
1 1625 . 20 2 2 B 8 8 TRP HA H 464 4.203 4.158 0.045 1
1 1632 . 20 2 2 B 8 8 TRP C C 464 175.578 178.303 -2.725 1
1 1633 . 20 2 2 B 8 8 TRP CA C 464 58.190 61.230 -3.040 1
1 1634 . 20 2 2 B 8 8 TRP CB C 464 26.538 29.770 -3.232 1
1 1636 . 20 2 2 B 8 8 TRP N N 464 121.805 121.702 0.103 1
1 1638 . 20 2 2 B 9 9 LEU H H 465 8.264 8.929 -0.665 1
1 1639 . 20 2 2 B 9 9 LEU HA H 465 4.172 3.899 0.273 1
1 1649 . 20 2 2 B 9 9 LEU C C 465 176.568 178.925 -2.357 1
1 1650 . 20 2 2 B 9 9 LEU CA C 465 55.499 58.307 -2.808 1
1 1651 . 20 2 2 B 9 9 LEU CB C 465 38.641 41.784 -3.143 1
1 1654 . 20 2 2 B 9 9 LEU N N 465 118.722 120.172 -1.450 1
1 1655 . 20 2 2 B 10 10 ARG H H 466 8.264 8.329 -0.065 1
1 1656 . 20 2 2 B 10 10 ARG HA H 466 4.128 4.090 0.038 1
1 1660 . 20 2 2 B 10 10 ARG C C 466 175.900 179.141 -3.241 1
1 1661 . 20 2 2 B 10 10 ARG CA C 466 56.888 59.079 -2.191 1
1 1662 . 20 2 2 B 10 10 ARG CB C 466 27.368 29.865 -2.497 1
1 1664 . 20 2 2 B 10 10 ARG N N 466 120.684 117.877 2.807 1
1 1665 . 20 2 2 B 11 11 ALA H H 467 8.067 8.240 -0.173 1
1 1666 . 20 2 2 B 11 11 ALA HA H 467 3.978 4.008 -0.030 1
1 1670 . 20 2 2 B 11 11 ALA C C 467 175.888 180.223 -4.335 1
1 1671 . 20 2 2 B 11 11 ALA CA C 467 52.558 55.070 -2.512 1
1 1672 . 20 2 2 B 11 11 ALA CB C 467 16.041 18.938 -2.897 1
1 1673 . 20 2 2 B 11 11 ALA N N 467 121.482 122.267 -0.785 1
1 1674 . 20 2 2 B 12 12 PHE H H 468 9.052 7.887 1.165 1
1 1675 . 20 2 2 B 12 12 PHE HA H 468 4.350 4.406 -0.056 1
1 1682 . 20 2 2 B 12 12 PHE C C 468 173.951 178.332 -4.381 1
1 1683 . 20 2 2 B 12 12 PHE CA C 468 58.326 61.245 -2.919 1
1 1684 . 20 2 2 B 12 12 PHE CB C 468 37.668 38.066 -0.398 1
1 1687 . 20 2 2 B 12 12 PHE N N 468 117.615 116.490 1.125 1
1 1688 . 20 2 2 B 13 13 ASN H H 469 8.602 8.470 0.132 1
1 1689 . 20 2 2 B 13 13 ASN HA H 469 4.166 4.352 -0.186 1
1 1692 . 20 2 2 B 13 13 ASN C C 469 174.785 177.574 -2.789 1
1 1693 . 20 2 2 B 13 13 ASN CA C 469 53.709 56.850 -3.141 1
1 1694 . 20 2 2 B 13 13 ASN CB C 469 35.325 39.055 -3.730 1
1 1695 . 20 2 2 B 13 13 ASN N N 469 116.425 118.346 -1.921 1
1 1696 . 20 2 2 B 14 14 LYS H H 470 8.076 8.117 -0.041 1
1 1697 . 20 2 2 B 14 14 LYS HA H 470 4.045 4.120 -0.075 1
1 1705 . 20 2 2 B 14 14 LYS C C 470 176.194 179.551 -3.357 1
1 1706 . 20 2 2 B 14 14 LYS CA C 470 57.174 59.525 -2.351 1
1 1707 . 20 2 2 B 14 14 LYS CB C 470 30.526 32.684 -2.158 1
1 1710 . 20 2 2 B 14 14 LYS N N 470 119.958 119.320 0.638 1
1 1711 . 20 2 2 B 15 15 VAL H H 471 8.410 7.696 0.714 1
1 1712 . 20 2 2 B 15 15 VAL HA H 471 3.532 3.622 -0.090 1
1 1720 . 20 2 2 B 15 15 VAL C C 471 174.970 177.919 -2.949 1
1 1721 . 20 2 2 B 15 15 VAL CA C 471 64.190 66.997 -2.807 1
1 1722 . 20 2 2 B 15 15 VAL CB C 471 28.483 31.463 -2.980 1
1 1725 . 20 2 2 B 15 15 VAL N N 471 121.488 119.860 1.628 1
1 1726 . 20 2 2 B 16 16 ARG H H 472 8.639 8.295 0.344 1
1 1727 . 20 2 2 B 16 16 ARG HA H 472 3.763 3.969 -0.206 1
1 1733 . 20 2 2 B 16 16 ARG C C 472 175.887 179.022 -3.135 1
1 1734 . 20 2 2 B 16 16 ARG CA C 472 56.805 59.992 -3.187 1
1 1735 . 20 2 2 B 16 16 ARG CB C 472 26.506 29.958 -3.452 1
1 1738 . 20 2 2 B 16 16 ARG N N 472 119.209 119.600 -0.391 1
1 1739 . 20 2 2 B 17 17 MET H H 473 7.701 7.711 -0.010 1
1 1740 . 20 2 2 B 17 17 MET HA H 473 4.105 4.076 0.029 1
1 1747 . 20 2 2 B 17 17 MET C C 473 175.604 178.772 -3.168 1
1 1748 . 20 2 2 B 17 17 MET CA C 473 55.673 59.654 -3.981 1
1 1749 . 20 2 2 B 17 17 MET CB C 473 29.324 32.924 -3.600 1
1 1751 . 20 2 2 B 17 17 MET N N 473 117.427 119.426 -1.999 1
1 1752 . 20 2 2 B 18 18 GLN H H 474 7.733 7.943 -0.210 1
1 1753 . 20 2 2 B 18 18 GLN HA H 474 4.049 4.068 -0.019 1
1 1758 . 20 2 2 B 18 18 GLN C C 474 175.931 179.212 -3.281 1
1 1759 . 20 2 2 B 18 18 GLN CA C 474 55.976 58.692 -2.716 1
1 1760 . 20 2 2 B 18 18 GLN CB C 474 24.407 28.204 -3.797 1
1 1762 . 20 2 2 B 18 18 GLN N N 474 119.752 118.395 1.357 1
1 1763 . 20 2 2 B 19 19 LEU H H 475 8.151 7.925 0.226 1
1 1764 . 20 2 2 B 19 19 LEU HA H 475 4.013 4.085 -0.072 1
1 1774 . 20 2 2 B 19 19 LEU C C 475 176.150 179.222 -3.072 1
1 1775 . 20 2 2 B 19 19 LEU CA C 475 54.386 57.136 -2.750 1
1 1776 . 20 2 2 B 19 19 LEU CB C 475 39.047 41.105 -2.058 1
1 1780 . 20 2 2 B 19 19 LEU N N 475 120.063 120.656 -0.593 1
1 1781 . 20 2 2 B 20 20 GLN H H 476 7.911 7.960 -0.049 1
1 1782 . 20 2 2 B 20 20 GLN HA H 476 3.980 3.865 0.115 1
1 1787 . 20 2 2 B 20 20 GLN C C 476 175.284 178.289 -3.005 1
1 1788 . 20 2 2 B 20 20 GLN CA C 476 55.365 59.349 -3.984 1
1 1789 . 20 2 2 B 20 20 GLN CB C 476 25.474 28.347 -2.873 1
1 1791 . 20 2 2 B 20 20 GLN N N 476 118.054 119.901 -1.847 1
1 1792 . 20 2 2 B 21 21 GLU H H 477 7.975 8.404 -0.429 1
1 1793 . 20 2 2 B 21 21 GLU HA H 477 4.016 4.011 0.005 1
1 1797 . 20 2 2 B 21 21 GLU C C 477 174.854 179.228 -4.374 1
1 1798 . 20 2 2 B 21 21 GLU CA C 477 55.490 59.230 -3.740 1
1 1799 . 20 2 2 B 21 21 GLU CB C 477 26.666 28.989 -2.323 1
1 1801 . 20 2 2 B 21 21 GLU N N 477 119.803 119.827 -0.024 1
1 1802 . 20 2 2 B 22 22 ALA H H 478 7.726 8.313 -0.587 1
1 1803 . 20 2 2 B 22 22 ALA HA H 478 4.190 4.004 0.186 1
1 1807 . 20 2 2 B 22 22 ALA C C 478 175.491 180.003 -4.512 1
1 1808 . 20 2 2 B 22 22 ALA CA C 478 50.517 55.034 -4.517 1
1 1809 . 20 2 2 B 22 22 ALA CB C 478 15.961 18.470 -2.509 1
1 1810 . 20 2 2 B 22 22 ALA N N 478 121.648 122.703 -1.055 1
1 1811 . 20 2 2 B 23 23 ARG H H 479 7.645 7.914 -0.269 1
1 1812 . 20 2 2 B 23 23 ARG HA H 479 4.211 4.049 0.162 1
1 1817 . 20 2 2 B 23 23 ARG C C 479 174.086 177.648 -3.562 1
1 1818 . 20 2 2 B 23 23 ARG CA C 479 53.836 59.170 -5.334 1
1 1819 . 20 2 2 B 23 23 ARG CB C 479 27.401 29.990 -2.589 1
1 1822 . 20 2 2 B 23 23 ARG N N 479 117.484 116.098 1.386 1
1 1823 . 20 2 2 B 24 24 GLY H H 480 7.961 7.647 0.314 1
1 1824 . 20 2 2 B 24 24 GLY HA2 H 480 3.909 4.001 -0.092 1
1 1825 . 20 2 2 B 24 24 GLY HA3 H 480 3.909 4.002 -0.093 1
1 1826 . 20 2 2 B 24 24 GLY C C 480 171.195 174.663 -3.468 1
1 1827 . 20 2 2 B 24 24 GLY CA C 480 42.457 44.442 -1.985 1
1 1828 . 20 2 2 B 24 24 GLY N N 480 107.622 108.065 -0.443 1
1 1829 . 20 2 2 B 25 25 GLU H H 481 8.163 8.891 -0.728 1
1 1830 . 20 2 2 B 25 25 GLU HA H 481 4.269 3.893 0.376 1
1 1834 . 20 2 2 B 25 25 GLU C C 481 174.077 176.821 -2.744 1
1 1835 . 20 2 2 B 25 25 GLU CA C 481 53.780 57.539 -3.759 1
1 1836 . 20 2 2 B 25 25 GLU CB C 481 27.272 27.175 0.097 1
1 1838 . 20 2 2 B 25 25 GLU N N 481 120.497 117.367 3.130 1
1 1839 . 20 2 2 B 26 26 GLY H H 482 8.350 8.089 0.261 1
1 1840 . 20 2 2 B 26 26 GLY HA2 H 482 3.902 3.791 0.111 1
1 1841 . 20 2 2 B 26 26 GLY HA3 H 482 3.902 3.792 0.110 1
1 1842 . 20 2 2 B 26 26 GLY C C 482 171.213 174.870 -3.657 1
1 1843 . 20 2 2 B 26 26 GLY CA C 482 42.485 46.823 -4.338 1
1 1844 . 20 2 2 B 26 26 GLY N N 482 108.850 106.728 2.122 1
1 1845 . 20 2 2 B 27 27 GLU H H 483 8.142 7.785 0.357 1
1 1846 . 20 2 2 B 27 27 GLU HA H 483 4.132 4.287 -0.155 1
1 1850 . 20 2 2 B 27 27 GLU C C 483 174.078 176.273 -2.195 1
1 1851 . 20 2 2 B 27 27 GLU CA C 483 54.039 56.608 -2.569 1
1 1852 . 20 2 2 B 27 27 GLU CB C 483 27.066 29.880 -2.814 1
1 1854 . 20 2 2 B 27 27 GLU N N 483 120.369 116.821 3.548 1
1 1855 . 20 2 2 B 28 28 MET H H 484 8.348 8.826 -0.478 1
1 1856 . 20 2 2 B 28 28 MET HA H 484 4.175 4.820 -0.645 1
1 1863 . 20 2 2 B 28 28 MET C C 484 173.796 176.024 -2.228 1
1 1864 . 20 2 2 B 28 28 MET CA C 484 53.324 54.022 -0.698 1
1 1865 . 20 2 2 B 28 28 MET CB C 484 29.849 33.363 -3.514 1
1 1868 . 20 2 2 B 28 28 MET N N 484 120.436 123.416 -2.980 1
1 1869 . 20 2 2 B 29 29 SER H H 485 8.125 8.866 -0.741 1
1 1870 . 20 2 2 B 29 29 SER HA H 485 4.338 4.538 -0.200 1
1 1873 . 20 2 2 B 29 29 SER C C 485 171.585 174.237 -2.652 1
1 1874 . 20 2 2 B 29 29 SER CA C 485 56.067 58.511 -2.444 1
1 1875 . 20 2 2 B 29 29 SER CB C 485 60.603 63.872 -3.269 1
1 1876 . 20 2 2 B 29 29 SER N N 485 115.589 119.677 -4.088 1
1 1877 . 20 2 2 B 30 30 LYS H H 486 7.986 7.771 0.215 1
1 1878 . 20 2 2 B 30 30 LYS HA H 486 4.220 4.339 -0.119 1
1 1883 . 20 2 2 B 30 30 LYS C C 486 173.803 176.383 -2.580 1
1 1884 . 20 2 2 B 30 30 LYS CA C 486 53.958 55.673 -1.715 1
1 1885 . 20 2 2 B 30 30 LYS CB C 486 30.005 32.822 -2.817 1
1 1889 . 20 2 2 B 30 30 LYS N N 486 122.255 119.940 2.315 1
1 1890 . 20 2 2 B 31 31 SER H H 487 7.972 7.602 0.370 1
1 1891 . 20 2 2 B 31 31 SER HA H 487 3.676 4.325 -0.649 1
1 1894 . 20 2 2 B 31 31 SER C C 487 171.460 173.893 -2.433 1
1 1895 . 20 2 2 B 31 31 SER CA C 487 55.826 58.907 -3.081 1
1 1896 . 20 2 2 B 31 31 SER CB C 487 61.064 63.937 -2.873 1
1 1897 . 20 2 2 B 31 31 SER N N 487 114.856 117.010 -2.154 1
1 1898 . 20 2 2 B 32 32 LEU H H 488 8.017 8.303 -0.286 1
1 1899 . 20 2 2 B 32 32 LEU HA H 488 4.300 4.398 -0.098 1
1 1909 . 20 2 2 B 32 32 LEU C C 488 174.074 175.909 -1.835 1
1 1910 . 20 2 2 B 32 32 LEU CA C 488 53.057 54.174 -1.117 1
1 1911 . 20 2 2 B 32 32 LEU CB C 488 39.082 40.823 -1.741 1
1 1914 . 20 2 2 B 32 32 LEU N N 488 123.172 118.948 4.224 1
1 1915 . 20 2 2 B 33 33 TRP H H 489 7.636 7.367 0.269 1
1 1916 . 20 2 2 B 33 33 TRP HA H 489 4.124 4.732 -0.608 1
1 1923 . 20 2 2 B 33 33 TRP C C 489 172.511 175.788 -3.277 1
1 1924 . 20 2 2 B 33 33 TRP CA C 489 53.958 58.676 -4.718 1
1 1925 . 20 2 2 B 33 33 TRP CB C 489 26.283 30.194 -3.911 1
1 1927 . 20 2 2 B 33 33 TRP N N 489 117.409 121.456 -4.047 1
1 1929 . 20 2 2 B 34 34 PHE H H 490 7.377 7.827 -0.450 1
1 1930 . 20 2 2 B 34 34 PHE HA H 490 4.325 4.890 -0.565 1
1 1937 . 20 2 2 B 34 34 PHE C C 490 172.418 175.203 -2.785 1
1 1938 . 20 2 2 B 34 34 PHE CA C 490 55.014 57.008 -1.994 1
1 1939 . 20 2 2 B 34 34 PHE CB C 490 36.680 40.522 -3.842 1
1 1942 . 20 2 2 B 34 34 PHE N N 490 119.308 119.846 -0.538 1
1 1943 . 20 2 2 B 35 35 LYS H H 491 7.864 8.615 -0.751 1
1 1944 . 20 2 2 B 35 35 LYS HA H 491 4.195 4.321 -0.126 1
1 1950 . 20 2 2 B 35 35 LYS C C 491 172.483 175.404 -2.921 1
1 1951 . 20 2 2 B 35 35 LYS CA C 491 53.521 55.235 -1.714 1
1 1952 . 20 2 2 B 35 35 LYS CB C 491 30.222 32.995 -2.773 1
1 1956 . 20 2 2 B 35 35 LYS N N 491 123.484 127.147 -3.663 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 2 "RMS(OBS, PRED)" C 34 3.377 1
2 1 1 2 "RMS(OBS, PRED)" CA 34 3.666 1
3 1 1 2 "RMS(OBS, PRED)" CB 32 2.977 1
4 1 1 2 "RMS(OBS, PRED)" H 34 0.600 1
5 1 1 2 "RMS(OBS, PRED)" HA 35 0.269 1
6 1 1 2 "RMS(OBS, PRED)" N 34 2.574 1
7 1 2 2 "RMS(OBS, PRED)" C 34 3.667 1
8 1 2 2 "RMS(OBS, PRED)" CA 34 3.705 1
9 1 2 2 "RMS(OBS, PRED)" CB 32 3.020 1
10 1 2 2 "RMS(OBS, PRED)" H 34 0.500 1
11 1 2 2 "RMS(OBS, PRED)" HA 35 0.245 1
12 1 2 2 "RMS(OBS, PRED)" N 34 2.782 1
13 1 3 2 "RMS(OBS, PRED)" C 34 3.381 1
14 1 3 2 "RMS(OBS, PRED)" CA 34 3.935 1
15 1 3 2 "RMS(OBS, PRED)" CB 32 2.755 1
16 1 3 2 "RMS(OBS, PRED)" H 34 0.614 1
17 1 3 2 "RMS(OBS, PRED)" HA 35 0.186 1
18 1 3 2 "RMS(OBS, PRED)" N 34 3.130 1
19 1 4 2 "RMS(OBS, PRED)" C 34 3.028 1
20 1 4 2 "RMS(OBS, PRED)" CA 34 3.225 1
21 1 4 2 "RMS(OBS, PRED)" CB 32 3.398 1
22 1 4 2 "RMS(OBS, PRED)" H 34 0.474 1
23 1 4 2 "RMS(OBS, PRED)" HA 35 0.324 1
24 1 4 2 "RMS(OBS, PRED)" N 34 3.116 1
25 1 5 2 "RMS(OBS, PRED)" C 34 3.365 1
26 1 5 2 "RMS(OBS, PRED)" CA 34 3.651 1
27 1 5 2 "RMS(OBS, PRED)" CB 32 3.135 1
28 1 5 2 "RMS(OBS, PRED)" H 34 0.540 1
29 1 5 2 "RMS(OBS, PRED)" HA 35 0.281 1
30 1 5 2 "RMS(OBS, PRED)" N 34 3.000 1
31 1 6 2 "RMS(OBS, PRED)" C 34 3.526 1
32 1 6 2 "RMS(OBS, PRED)" CA 34 3.841 1
33 1 6 2 "RMS(OBS, PRED)" CB 32 2.977 1
34 1 6 2 "RMS(OBS, PRED)" H 34 0.619 1
35 1 6 2 "RMS(OBS, PRED)" HA 35 0.240 1
36 1 6 2 "RMS(OBS, PRED)" N 34 2.526 1
37 1 7 2 "RMS(OBS, PRED)" C 34 3.048 1
38 1 7 2 "RMS(OBS, PRED)" CA 34 3.391 1
39 1 7 2 "RMS(OBS, PRED)" CB 32 3.011 1
40 1 7 2 "RMS(OBS, PRED)" H 34 0.504 1
41 1 7 2 "RMS(OBS, PRED)" HA 35 0.260 1
42 1 7 2 "RMS(OBS, PRED)" N 34 2.782 1
43 1 8 2 "RMS(OBS, PRED)" C 34 3.619 1
44 1 8 2 "RMS(OBS, PRED)" CA 34 3.682 1
45 1 8 2 "RMS(OBS, PRED)" CB 32 3.050 1
46 1 8 2 "RMS(OBS, PRED)" H 34 0.496 1
47 1 8 2 "RMS(OBS, PRED)" HA 35 0.253 1
48 1 8 2 "RMS(OBS, PRED)" N 34 2.780 1
49 1 9 2 "RMS(OBS, PRED)" C 34 3.412 1
50 1 9 2 "RMS(OBS, PRED)" CA 34 3.496 1
51 1 9 2 "RMS(OBS, PRED)" CB 32 3.229 1
52 1 9 2 "RMS(OBS, PRED)" H 34 0.516 1
53 1 9 2 "RMS(OBS, PRED)" HA 35 0.272 1
54 1 9 2 "RMS(OBS, PRED)" N 34 2.486 1
55 1 10 2 "RMS(OBS, PRED)" C 34 3.359 1
56 1 10 2 "RMS(OBS, PRED)" CA 34 3.731 1
57 1 10 2 "RMS(OBS, PRED)" CB 32 2.775 1
58 1 10 2 "RMS(OBS, PRED)" H 34 0.466 1
59 1 10 2 "RMS(OBS, PRED)" HA 35 0.181 1
60 1 10 2 "RMS(OBS, PRED)" N 34 2.586 1
61 1 11 2 "RMS(OBS, PRED)" C 34 3.406 1
62 1 11 2 "RMS(OBS, PRED)" CA 34 3.457 1
63 1 11 2 "RMS(OBS, PRED)" CB 32 3.008 1
64 1 11 2 "RMS(OBS, PRED)" H 34 0.485 1
65 1 11 2 "RMS(OBS, PRED)" HA 35 0.246 1
66 1 11 2 "RMS(OBS, PRED)" N 34 2.579 1
67 1 12 2 "RMS(OBS, PRED)" C 34 3.116 1
68 1 12 2 "RMS(OBS, PRED)" CA 34 3.616 1
69 1 12 2 "RMS(OBS, PRED)" CB 32 3.118 1
70 1 12 2 "RMS(OBS, PRED)" H 34 0.590 1
71 1 12 2 "RMS(OBS, PRED)" HA 35 0.289 1
72 1 12 2 "RMS(OBS, PRED)" N 34 3.236 1
73 1 13 2 "RMS(OBS, PRED)" C 34 3.392 1
74 1 13 2 "RMS(OBS, PRED)" CA 34 3.292 1
75 1 13 2 "RMS(OBS, PRED)" CB 32 2.967 1
76 1 13 2 "RMS(OBS, PRED)" H 34 0.470 1
77 1 13 2 "RMS(OBS, PRED)" HA 35 0.295 1
78 1 13 2 "RMS(OBS, PRED)" N 34 2.420 1
79 1 14 2 "RMS(OBS, PRED)" C 34 2.874 1
80 1 14 2 "RMS(OBS, PRED)" CA 34 3.119 1
81 1 14 2 "RMS(OBS, PRED)" CB 32 3.422 1
82 1 14 2 "RMS(OBS, PRED)" H 34 0.662 1
83 1 14 2 "RMS(OBS, PRED)" HA 35 0.447 1
84 1 14 2 "RMS(OBS, PRED)" N 34 2.788 1
85 1 15 2 "RMS(OBS, PRED)" C 34 3.617 1
86 1 15 2 "RMS(OBS, PRED)" CA 34 3.757 1
87 1 15 2 "RMS(OBS, PRED)" CB 32 2.863 1
88 1 15 2 "RMS(OBS, PRED)" H 34 0.528 1
89 1 15 2 "RMS(OBS, PRED)" HA 35 0.221 1
90 1 15 2 "RMS(OBS, PRED)" N 34 1.949 1
91 1 16 2 "RMS(OBS, PRED)" C 34 3.159 1
92 1 16 2 "RMS(OBS, PRED)" CA 34 3.243 1
93 1 16 2 "RMS(OBS, PRED)" CB 32 3.114 1
94 1 16 2 "RMS(OBS, PRED)" H 34 0.430 1
95 1 16 2 "RMS(OBS, PRED)" HA 35 0.279 1
96 1 16 2 "RMS(OBS, PRED)" N 34 2.540 1
97 1 17 2 "RMS(OBS, PRED)" C 34 3.342 1
98 1 17 2 "RMS(OBS, PRED)" CA 34 3.606 1
99 1 17 2 "RMS(OBS, PRED)" CB 32 2.896 1
100 1 17 2 "RMS(OBS, PRED)" H 34 0.366 1
101 1 17 2 "RMS(OBS, PRED)" HA 35 0.273 1
102 1 17 2 "RMS(OBS, PRED)" N 34 2.039 1
103 1 18 2 "RMS(OBS, PRED)" C 34 2.854 1
104 1 18 2 "RMS(OBS, PRED)" CA 34 3.178 1
105 1 18 2 "RMS(OBS, PRED)" CB 32 3.501 1
106 1 18 2 "RMS(OBS, PRED)" H 34 0.543 1
107 1 18 2 "RMS(OBS, PRED)" HA 35 0.450 1
108 1 18 2 "RMS(OBS, PRED)" N 34 2.858 1
109 1 19 2 "RMS(OBS, PRED)" C 34 3.023 1
110 1 19 2 "RMS(OBS, PRED)" CA 34 3.446 1
111 1 19 2 "RMS(OBS, PRED)" CB 32 2.954 1
112 1 19 2 "RMS(OBS, PRED)" H 34 0.567 1
113 1 19 2 "RMS(OBS, PRED)" HA 35 0.288 1
114 1 19 2 "RMS(OBS, PRED)" N 34 2.961 1
115 1 20 2 "RMS(OBS, PRED)" C 34 3.121 1
116 1 20 2 "RMS(OBS, PRED)" CA 34 3.194 1
117 1 20 2 "RMS(OBS, PRED)" CB 32 3.029 1
118 1 20 2 "RMS(OBS, PRED)" H 34 0.478 1
119 1 20 2 "RMS(OBS, PRED)" HA 35 0.280 1
120 1 20 2 "RMS(OBS, PRED)" N 34 2.714 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1575 . 2 2 B 2 2 SER H H 458 8.193 8.585 -0.392 2
1 1577 . 2 2 B 2 2 SER C C 458 172.550 175.065 -2.515 2
1 1578 . 2 2 B 2 2 SER CA C 458 55.709 61.230 -5.521 2
1 1579 . 2 2 B 2 2 SER CB C 458 61.137 62.929 -1.792 2
1 1580 . 2 2 B 2 2 SER N N 458 120.637 117.165 3.472 2
1 1581 . 2 2 B 3 3 ARG H H 459 8.654 7.950 0.704 2
1 1582 . 2 2 B 3 3 ARG HA H 459 3.838 4.302 -0.464 2
1 1584 . 2 2 B 3 3 ARG C C 459 174.192 177.146 -2.954 2
1 1585 . 2 2 B 3 3 ARG CA C 459 55.993 57.219 -1.226 2
1 1586 . 2 2 B 3 3 ARG CB C 459 27.411 31.072 -3.661 2
1 1588 . 2 2 B 3 3 ARG N N 459 125.365 120.794 4.571 2
1 1589 . 2 2 B 4 4 ALA H H 460 8.193 8.395 -0.202 2
1 1590 . 2 2 B 4 4 ALA HA H 460 4.164 4.057 0.107 2
1 1594 . 2 2 B 4 4 ALA C C 460 176.557 179.356 -2.799 2
1 1595 . 2 2 B 4 4 ALA CA C 460 52.358 54.346 -1.988 2
1 1596 . 2 2 B 4 4 ALA CB C 460 15.958 18.670 -2.712 2
1 1597 . 2 2 B 4 4 ALA N N 460 120.862 123.909 -3.047 2
1 1598 . 2 2 B 5 5 LYS H H 461 7.900 8.121 -0.222 2
1 1599 . 2 2 B 5 5 LYS HA H 461 4.185 4.073 0.112 2
1 1602 . 2 2 B 5 5 LYS C C 461 175.175 178.863 -3.688 2
1 1603 . 2 2 B 5 5 LYS CA C 461 56.959 59.868 -2.909 2
1 1604 . 2 2 B 5 5 LYS CB C 461 28.819 32.420 -3.601 2
1 1606 . 2 2 B 5 5 LYS N N 461 118.064 118.685 -0.621 2
1 1607 . 2 2 B 6 6 ALA H H 462 7.778 8.013 -0.235 2
1 1608 . 2 2 B 6 6 ALA HA H 462 4.060 4.098 -0.038 2
1 1612 . 2 2 B 6 6 ALA C C 462 178.002 179.820 -1.818 2
1 1613 . 2 2 B 6 6 ALA CA C 462 52.150 55.294 -3.144 2
1 1614 . 2 2 B 6 6 ALA CB C 462 14.865 18.178 -3.313 2
1 1615 . 2 2 B 6 6 ALA N N 462 120.253 120.807 -0.554 2
1 1616 . 2 2 B 7 7 ASN H H 463 8.372 8.177 0.195 2
1 1617 . 2 2 B 7 7 ASN HA H 463 4.459 4.438 0.021 2
1 1620 . 2 2 B 7 7 ASN C C 463 175.009 177.869 -2.860 2
1 1621 . 2 2 B 7 7 ASN CA C 463 53.033 56.611 -3.578 2
1 1622 . 2 2 B 7 7 ASN CB C 463 35.500 38.536 -3.036 2
1 1623 . 2 2 B 7 7 ASN N N 463 118.243 115.965 2.278 2
1 1624 . 2 2 B 8 8 TRP H H 464 8.533 8.629 -0.096 2
1 1625 . 2 2 B 8 8 TRP HA H 464 4.203 4.078 0.125 2
1 1632 . 2 2 B 8 8 TRP C C 464 175.578 178.289 -2.711 2
1 1633 . 2 2 B 8 8 TRP CA C 464 58.190 61.156 -2.966 2
1 1634 . 2 2 B 8 8 TRP CB C 464 26.538 29.511 -2.973 2
1 1636 . 2 2 B 8 8 TRP N N 464 121.805 122.690 -0.885 2
1 1638 . 2 2 B 9 9 LEU H H 465 8.264 8.598 -0.334 2
1 1639 . 2 2 B 9 9 LEU HA H 465 4.172 3.794 0.378 2
1 1649 . 2 2 B 9 9 LEU C C 465 176.568 178.963 -2.395 2
1 1650 . 2 2 B 9 9 LEU CA C 465 55.499 58.211 -2.712 2
1 1651 . 2 2 B 9 9 LEU CB C 465 38.641 41.700 -3.059 2
1 1654 . 2 2 B 9 9 LEU N N 465 118.722 120.014 -1.292 2
1 1655 . 2 2 B 10 10 ARG H H 466 8.264 8.260 0.004 2
1 1656 . 2 2 B 10 10 ARG HA H 466 4.128 4.093 0.035 2
1 1660 . 2 2 B 10 10 ARG C C 466 175.900 179.036 -3.136 2
1 1661 . 2 2 B 10 10 ARG CA C 466 56.888 59.082 -2.194 2
1 1662 . 2 2 B 10 10 ARG CB C 466 27.368 29.822 -2.454 2
1 1664 . 2 2 B 10 10 ARG N N 466 120.684 117.924 2.760 2
1 1665 . 2 2 B 11 11 ALA H H 467 8.067 8.075 -0.009 2
1 1666 . 2 2 B 11 11 ALA HA H 467 3.978 4.110 -0.132 2
1 1670 . 2 2 B 11 11 ALA C C 467 175.888 180.513 -4.625 2
1 1671 . 2 2 B 11 11 ALA CA C 467 52.558 55.191 -2.633 2
1 1672 . 2 2 B 11 11 ALA CB C 467 16.041 19.022 -2.981 2
1 1673 . 2 2 B 11 11 ALA N N 467 121.482 122.215 -0.733 2
1 1674 . 2 2 B 12 12 PHE H H 468 9.052 8.011 1.041 2
1 1675 . 2 2 B 12 12 PHE HA H 468 4.350 4.409 -0.059 2
1 1682 . 2 2 B 12 12 PHE C C 468 173.951 178.350 -4.399 2
1 1683 . 2 2 B 12 12 PHE CA C 468 58.326 61.423 -3.097 2
1 1684 . 2 2 B 12 12 PHE CB C 468 37.668 38.069 -0.401 2
1 1687 . 2 2 B 12 12 PHE N N 468 117.615 116.346 1.269 2
1 1688 . 2 2 B 13 13 ASN H H 469 8.602 8.491 0.111 2
1 1689 . 2 2 B 13 13 ASN HA H 469 4.166 4.358 -0.192 2
1 1692 . 2 2 B 13 13 ASN C C 469 174.785 177.536 -2.751 2
1 1693 . 2 2 B 13 13 ASN CA C 469 53.709 56.690 -2.981 2
1 1694 . 2 2 B 13 13 ASN CB C 469 35.325 38.860 -3.535 2
1 1695 . 2 2 B 13 13 ASN N N 469 116.425 118.582 -2.157 2
1 1696 . 2 2 B 14 14 LYS H H 470 8.076 8.191 -0.115 2
1 1697 . 2 2 B 14 14 LYS HA H 470 4.045 4.089 -0.044 2
1 1705 . 2 2 B 14 14 LYS C C 470 176.194 179.457 -3.263 2
1 1706 . 2 2 B 14 14 LYS CA C 470 57.174 59.465 -2.291 2
1 1707 . 2 2 B 14 14 LYS CB C 470 30.526 32.654 -2.128 2
1 1710 . 2 2 B 14 14 LYS N N 470 119.958 119.430 0.528 2
1 1711 . 2 2 B 15 15 VAL H H 471 8.410 7.613 0.797 2
1 1712 . 2 2 B 15 15 VAL HA H 471 3.532 3.706 -0.174 2
1 1720 . 2 2 B 15 15 VAL C C 471 174.970 177.956 -2.986 2
1 1721 . 2 2 B 15 15 VAL CA C 471 64.190 66.191 -2.001 2
1 1722 . 2 2 B 15 15 VAL CB C 471 28.483 31.507 -3.024 2
1 1725 . 2 2 B 15 15 VAL N N 471 121.488 117.944 3.544 2
1 1726 . 2 2 B 16 16 ARG H H 472 8.639 8.318 0.321 2
1 1727 . 2 2 B 16 16 ARG HA H 472 3.763 3.929 -0.166 2
1 1733 . 2 2 B 16 16 ARG C C 472 175.887 178.896 -3.009 2
1 1734 . 2 2 B 16 16 ARG CA C 472 56.805 60.014 -3.209 2
1 1735 . 2 2 B 16 16 ARG CB C 472 26.506 29.936 -3.430 2
1 1738 . 2 2 B 16 16 ARG N N 472 119.209 120.821 -1.612 2
1 1739 . 2 2 B 17 17 MET H H 473 7.701 8.156 -0.455 2
1 1740 . 2 2 B 17 17 MET HA H 473 4.105 4.138 -0.033 2
1 1747 . 2 2 B 17 17 MET C C 473 175.604 178.127 -2.523 2
1 1748 . 2 2 B 17 17 MET CA C 473 55.673 59.310 -3.637 2
1 1749 . 2 2 B 17 17 MET CB C 473 29.324 32.418 -3.094 2
1 1751 . 2 2 B 17 17 MET N N 473 117.427 119.073 -1.646 2
1 1752 . 2 2 B 18 18 GLN H H 474 7.733 8.124 -0.391 2
1 1753 . 2 2 B 18 18 GLN HA H 474 4.049 4.078 -0.029 2
1 1758 . 2 2 B 18 18 GLN C C 474 175.931 178.215 -2.284 2
1 1759 . 2 2 B 18 18 GLN CA C 474 55.976 58.611 -2.635 2
1 1760 . 2 2 B 18 18 GLN CB C 474 24.407 27.853 -3.446 2
1 1762 . 2 2 B 18 18 GLN N N 474 119.752 118.697 1.055 2
1 1763 . 2 2 B 19 19 LEU H H 475 8.151 8.177 -0.026 2
1 1764 . 2 2 B 19 19 LEU HA H 475 4.013 3.970 0.043 2
1 1774 . 2 2 B 19 19 LEU C C 475 176.150 179.335 -3.185 2
1 1775 . 2 2 B 19 19 LEU CA C 475 54.386 57.833 -3.447 2
1 1776 . 2 2 B 19 19 LEU CB C 475 39.047 41.320 -2.273 2
1 1780 . 2 2 B 19 19 LEU N N 475 120.063 121.068 -1.005 2
1 1781 . 2 2 B 20 20 GLN H H 476 7.911 8.137 -0.226 2
1 1782 . 2 2 B 20 20 GLN HA H 476 3.980 4.033 -0.053 2
1 1787 . 2 2 B 20 20 GLN C C 476 175.284 178.753 -3.469 2
1 1788 . 2 2 B 20 20 GLN CA C 476 55.365 59.103 -3.738 2
1 1789 . 2 2 B 20 20 GLN CB C 476 25.474 28.221 -2.747 2
1 1791 . 2 2 B 20 20 GLN N N 476 118.054 118.708 -0.654 2
1 1792 . 2 2 B 21 21 GLU H H 477 7.975 8.249 -0.274 2
1 1793 . 2 2 B 21 21 GLU HA H 477 4.016 4.027 -0.011 2
1 1797 . 2 2 B 21 21 GLU C C 477 174.854 178.833 -3.979 2
1 1798 . 2 2 B 21 21 GLU CA C 477 55.490 59.326 -3.836 2
1 1799 . 2 2 B 21 21 GLU CB C 477 26.666 29.249 -2.583 2
1 1801 . 2 2 B 21 21 GLU N N 477 119.803 119.996 -0.193 2
1 1802 . 2 2 B 22 22 ALA H H 478 7.726 7.566 0.160 2
1 1803 . 2 2 B 22 22 ALA HA H 478 4.190 4.094 0.096 2
1 1807 . 2 2 B 22 22 ALA C C 478 175.491 178.648 -3.157 2
1 1808 . 2 2 B 22 22 ALA CA C 478 50.517 54.661 -4.144 2
1 1809 . 2 2 B 22 22 ALA CB C 478 15.961 18.444 -2.483 2
1 1810 . 2 2 B 22 22 ALA N N 478 121.648 121.258 0.390 2
1 1811 . 2 2 B 23 23 ARG H H 479 7.645 7.627 0.018 2
1 1812 . 2 2 B 23 23 ARG HA H 479 4.211 4.159 0.052 2
1 1817 . 2 2 B 23 23 ARG C C 479 174.086 177.052 -2.966 2
1 1818 . 2 2 B 23 23 ARG CA C 479 53.836 57.700 -3.864 2
1 1819 . 2 2 B 23 23 ARG CB C 479 27.401 30.456 -3.055 2
1 1822 . 2 2 B 23 23 ARG N N 479 117.484 117.347 0.137 2
1 1823 . 2 2 B 24 24 GLY H H 480 7.961 8.359 -0.398 2
1 1824 . 2 2 B 24 24 GLY HA2 H 480 3.909 4.036 -0.127 2
1 1825 . 2 2 B 24 24 GLY HA3 H 480 3.909 4.037 -0.128 2
1 1826 . 2 2 B 24 24 GLY C C 480 171.195 173.789 -2.594 2
1 1827 . 2 2 B 24 24 GLY CA C 480 42.457 45.492 -3.035 2
1 1828 . 2 2 B 24 24 GLY N N 480 107.622 109.475 -1.853 2
1 1829 . 2 2 B 25 25 GLU H H 481 8.163 8.446 -0.283 2
1 1830 . 2 2 B 25 25 GLU HA H 481 4.269 4.532 -0.263 2
1 1834 . 2 2 B 25 25 GLU C C 481 174.077 176.260 -2.183 2
1 1835 . 2 2 B 25 25 GLU CA C 481 53.780 56.198 -2.418 2
1 1836 . 2 2 B 25 25 GLU CB C 481 27.272 30.937 -3.665 2
1 1838 . 2 2 B 25 25 GLU N N 481 120.497 119.837 0.660 2
1 1839 . 2 2 B 26 26 GLY H H 482 8.350 8.364 -0.014 2
1 1840 . 2 2 B 26 26 GLY HA2 H 482 3.902 4.049 -0.147 2
1 1841 . 2 2 B 26 26 GLY HA3 H 482 3.902 4.052 -0.150 2
1 1842 . 2 2 B 26 26 GLY C C 482 171.213 174.086 -2.873 2
1 1843 . 2 2 B 26 26 GLY CA C 482 42.485 45.375 -2.890 2
1 1844 . 2 2 B 26 26 GLY N N 482 108.850 109.851 -1.001 2
1 1845 . 2 2 B 27 27 GLU H H 483 8.142 8.562 -0.420 2
1 1846 . 2 2 B 27 27 GLU HA H 483 4.132 4.285 -0.153 2
1 1850 . 2 2 B 27 27 GLU C C 483 174.078 176.928 -2.850 2
1 1851 . 2 2 B 27 27 GLU CA C 483 54.039 57.462 -3.423 2
1 1852 . 2 2 B 27 27 GLU CB C 483 27.066 30.234 -3.168 2
1 1854 . 2 2 B 27 27 GLU N N 483 120.369 120.618 -0.249 2
1 1855 . 2 2 B 28 28 MET H H 484 8.348 8.312 0.036 2
1 1856 . 2 2 B 28 28 MET HA H 484 4.175 4.470 -0.295 2
1 1863 . 2 2 B 28 28 MET C C 484 173.796 176.943 -3.147 2
1 1864 . 2 2 B 28 28 MET CA C 484 53.324 56.308 -2.984 2
1 1865 . 2 2 B 28 28 MET CB C 484 29.849 32.719 -2.870 2
1 1868 . 2 2 B 28 28 MET N N 484 120.436 120.510 -0.074 2
1 1869 . 2 2 B 29 29 SER H H 485 8.125 8.138 -0.013 2
1 1870 . 2 2 B 29 29 SER HA H 485 4.338 4.269 0.069 2
1 1873 . 2 2 B 29 29 SER C C 485 171.585 174.958 -3.373 2
1 1874 . 2 2 B 29 29 SER CA C 485 56.067 60.645 -4.578 2
1 1875 . 2 2 B 29 29 SER CB C 485 60.603 63.181 -2.578 2
1 1876 . 2 2 B 29 29 SER N N 485 115.589 115.932 -0.343 2
1 1877 . 2 2 B 30 30 LYS H H 486 7.986 7.990 -0.004 2
1 1878 . 2 2 B 30 30 LYS HA H 486 4.220 4.381 -0.161 2
1 1883 . 2 2 B 30 30 LYS C C 486 173.803 176.406 -2.603 2
1 1884 . 2 2 B 30 30 LYS CA C 486 53.958 55.999 -2.041 2
1 1885 . 2 2 B 30 30 LYS CB C 486 30.005 32.217 -2.212 2
1 1889 . 2 2 B 30 30 LYS N N 486 122.255 119.422 2.833 2
1 1890 . 2 2 B 31 31 SER H H 487 7.972 8.336 -0.364 2
1 1891 . 2 2 B 31 31 SER HA H 487 3.676 4.298 -0.622 2
1 1894 . 2 2 B 31 31 SER C C 487 171.460 174.609 -3.149 2
1 1895 . 2 2 B 31 31 SER CA C 487 55.826 60.301 -4.475 2
1 1896 . 2 2 B 31 31 SER CB C 487 61.064 63.782 -2.718 2
1 1897 . 2 2 B 31 31 SER N N 487 114.856 117.387 -2.531 2
1 1898 . 2 2 B 32 32 LEU H H 488 8.017 7.940 0.077 2
1 1899 . 2 2 B 32 32 LEU HA H 488 4.300 4.205 0.095 2
1 1909 . 2 2 B 32 32 LEU C C 488 174.074 176.423 -2.349 2
1 1910 . 2 2 B 32 32 LEU CA C 488 53.057 54.964 -1.907 2
1 1911 . 2 2 B 32 32 LEU CB C 488 39.082 42.598 -3.516 2
1 1914 . 2 2 B 32 32 LEU N N 488 123.172 117.378 5.794 2
1 1915 . 2 2 B 33 33 TRP H H 489 7.636 8.072 -0.436 2
1 1916 . 2 2 B 33 33 TRP HA H 489 4.124 4.544 -0.420 2
1 1923 . 2 2 B 33 33 TRP C C 489 172.511 176.578 -4.067 2
1 1924 . 2 2 B 33 33 TRP CA C 489 53.958 58.809 -4.851 2
1 1925 . 2 2 B 33 33 TRP CB C 489 26.283 29.381 -3.098 2
1 1927 . 2 2 B 33 33 TRP N N 489 117.409 119.044 -1.635 2
1 1929 . 2 2 B 34 34 PHE H H 490 7.377 8.465 -1.088 2
1 1930 . 2 2 B 34 34 PHE HA H 490 4.325 4.571 -0.246 2
1 1937 . 2 2 B 34 34 PHE C C 490 172.418 176.259 -3.841 2
1 1938 . 2 2 B 34 34 PHE CA C 490 55.014 59.057 -4.043 2
1 1939 . 2 2 B 34 34 PHE CB C 490 36.680 39.633 -2.953 2
1 1942 . 2 2 B 34 34 PHE N N 490 119.308 119.463 -0.155 2
1 1943 . 2 2 B 35 35 LYS H H 491 7.864 8.268 -0.404 2
1 1944 . 2 2 B 35 35 LYS HA H 491 4.195 4.161 0.034 2
1 1950 . 2 2 B 35 35 LYS C C 491 172.483 177.178 -4.695 2
1 1951 . 2 2 B 35 35 LYS CA C 491 53.521 57.355 -3.834 2
1 1952 . 2 2 B 35 35 LYS CB C 491 30.222 32.392 -2.170 2
1 1956 . 2 2 B 35 35 LYS N N 491 123.484 120.530 2.954 2
stop_
save_