REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2iwp_1_A DATA FIRST_RESID 1832 DATA SEQUENCE LRTVEMKKXX XXSLGISIAG GVGSPLGDVP IFIAMMHPTG VAAQTQKLRV DATA SEQUENCE GDRIVTICGT STEGMTHTQA VNLLKNASGS IEMQVVAGGD VSETSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1832 L HA 0.000 nan 4.340 nan 0.000 0.249 1832 L C 0.000 176.876 176.870 0.010 0.000 1.165 1832 L CA 0.000 54.846 54.840 0.010 0.000 0.813 1832 L CB 0.000 42.064 42.059 0.009 0.000 0.961 1833 R N 2.144 122.652 120.500 0.012 0.000 2.750 1833 R HA 0.886 5.227 4.340 0.002 0.000 0.281 1833 R C -1.031 175.276 176.300 0.011 0.000 0.972 1833 R CA -0.840 55.266 56.100 0.011 0.000 0.912 1833 R CB 2.440 32.748 30.300 0.012 0.000 1.187 1833 R HN 0.561 nan 8.270 nan 0.000 0.464 1834 T N 1.744 116.304 114.554 0.009 0.000 2.779 1834 T HA 0.485 4.836 4.350 0.002 0.000 0.280 1834 T C -0.795 173.910 174.700 0.008 0.000 0.987 1834 T CA -0.537 61.568 62.100 0.009 0.000 0.966 1834 T CB 1.403 70.275 68.868 0.007 0.000 0.933 1834 T HN 0.125 nan 8.240 nan 0.000 0.442 1835 V N 3.043 122.962 119.914 0.008 0.000 2.823 1835 V HA 0.544 4.665 4.120 0.002 0.000 0.312 1835 V C -0.581 175.516 176.094 0.006 0.000 1.072 1835 V CA -0.966 61.339 62.300 0.008 0.000 0.937 1835 V CB 2.286 34.115 31.823 0.010 0.000 1.013 1835 V HN 0.714 nan 8.190 nan 0.000 0.430 1836 E N 3.334 123.537 120.200 0.004 0.000 2.145 1836 E HA 0.529 4.880 4.350 0.002 0.000 0.262 1836 E C -1.080 175.521 176.600 0.002 0.000 0.883 1836 E CA -0.425 55.977 56.400 0.002 0.000 0.748 1836 E CB 1.959 31.660 29.700 0.002 0.000 1.140 1836 E HN 0.559 nan 8.360 nan 0.000 0.417 1837 M N 1.439 121.040 119.600 0.000 0.000 2.363 1837 M HA 0.218 4.699 4.480 0.002 0.000 0.343 1837 M C -0.203 176.095 176.300 -0.003 0.000 1.165 1837 M CA -0.403 54.897 55.300 -0.001 0.000 1.046 1837 M CB 1.389 33.988 32.600 -0.001 0.000 1.648 1837 M HN -0.133 nan 8.290 nan 0.000 0.452 1838 K N 2.603 123.001 120.400 -0.004 0.000 2.206 1838 K HA 0.507 4.829 4.320 0.002 0.000 0.264 1838 K C -0.426 176.169 176.600 -0.009 0.000 0.967 1838 K CA -0.963 55.320 56.287 -0.006 0.000 0.844 1838 K CB 1.841 34.338 32.500 -0.005 0.000 1.099 1838 K HN 0.625 nan 8.250 nan 0.000 0.441 1845 L N 3.093 124.296 121.223 -0.035 0.000 2.529 1845 L HA 0.343 4.684 4.340 0.002 0.000 0.223 1845 L C 1.792 178.659 176.870 -0.004 0.000 1.113 1845 L CA 0.583 55.412 54.840 -0.017 0.000 0.861 1845 L CB -0.334 41.721 42.059 -0.007 0.000 1.012 1845 L HN 1.201 nan 8.230 nan 0.000 0.461 1846 G N 2.046 110.838 108.800 -0.014 0.000 2.246 1846 G HA2 -0.281 3.680 3.960 0.002 0.000 0.273 1846 G HA3 -0.281 3.680 3.960 0.002 0.000 0.273 1846 G C 0.049 175.057 174.900 0.181 0.000 1.055 1846 G CA 0.671 45.805 45.100 0.056 0.000 0.851 1846 G HN 0.492 nan 8.290 nan 0.000 0.500 1847 I N -3.424 117.216 120.570 0.116 0.000 2.828 1847 I HA 0.876 5.047 4.170 0.002 0.000 0.302 1847 I C -0.203 175.949 176.117 0.059 0.000 1.101 1847 I CA -1.274 60.077 61.300 0.084 0.000 1.031 1847 I CB 2.396 40.420 38.000 0.040 0.000 1.231 1847 I HN -0.011 nan 8.210 nan 0.000 0.427 1848 S N 5.435 121.152 115.700 0.029 0.000 2.472 1848 S HA 0.724 5.195 4.470 0.002 0.000 0.303 1848 S C -0.293 174.281 174.600 -0.044 0.000 1.099 1848 S CA -0.672 57.529 58.200 0.001 0.000 1.077 1848 S CB 1.523 64.722 63.200 -0.002 0.000 1.031 1848 S HN 0.693 nan 8.310 nan 0.000 0.487 1849 I N -0.120 120.415 120.570 -0.059 0.000 2.603 1849 I HA 1.001 5.172 4.170 0.002 0.000 0.300 1849 I C -0.416 175.633 176.117 -0.113 0.000 1.017 1849 I CA -1.049 60.172 61.300 -0.130 0.000 1.098 1849 I CB 1.742 39.678 38.000 -0.107 0.000 1.279 1849 I HN 0.656 nan 8.210 nan 0.000 0.437 1850 A N 3.323 125.874 122.820 -0.450 0.000 2.486 1850 A HA 1.006 5.327 4.320 0.002 0.000 0.289 1850 A C 0.120 177.454 177.584 -0.417 0.000 1.176 1850 A CA -0.293 51.431 52.037 -0.523 0.000 0.757 1850 A CB 0.830 19.291 19.000 -0.898 0.000 1.337 1850 A HN 2.083 nan 8.150 nan 0.000 0.423 1851 G N -1.216 107.496 108.800 -0.147 0.000 2.660 1851 G HA2 0.575 4.536 3.960 0.002 0.000 0.215 1851 G HA3 0.575 4.536 3.960 0.002 0.000 0.215 1851 G C 1.070 176.039 174.900 0.116 0.000 1.345 1851 G CA 0.584 45.738 45.100 0.090 0.000 0.877 1851 G HN 3.148 nan 8.290 nan 0.000 0.549 1852 G N -3.226 105.646 108.800 0.120 0.000 2.479 1852 G HA2 0.398 4.360 3.960 0.002 0.000 0.686 1852 G HA3 0.398 4.360 3.960 0.002 0.000 0.686 1852 G C -0.319 174.628 174.900 0.078 0.000 1.295 1852 G CA 0.253 45.415 45.100 0.103 0.000 0.922 1852 G HN 1.963 nan 8.290 nan 0.000 0.582 1853 V N 1.226 121.178 119.914 0.062 0.000 2.686 1853 V HA 0.496 4.617 4.120 0.002 0.000 0.295 1853 V C 1.900 178.020 176.094 0.043 0.000 1.055 1853 V CA 1.812 64.140 62.300 0.046 0.000 1.050 1853 V CB 0.760 32.604 31.823 0.036 0.000 0.984 1853 V HN 2.807 nan 8.190 nan 0.000 0.482 1854 G N 3.611 112.431 108.800 0.032 0.000 2.153 1854 G HA2 -0.264 3.697 3.960 0.002 0.000 0.252 1854 G HA3 -0.264 3.697 3.960 0.002 0.000 0.252 1854 G C 0.424 175.335 174.900 0.018 0.000 0.994 1854 G CA 0.448 45.563 45.100 0.024 0.000 0.698 1854 G HN 1.309 nan 8.290 nan 0.000 0.521 1855 S N -0.200 115.512 115.700 0.020 0.000 2.596 1855 S HA 0.536 5.007 4.470 0.002 0.000 0.260 1855 S C -0.393 174.205 174.600 -0.003 0.000 1.336 1855 S CA -0.189 58.008 58.200 -0.005 0.000 0.993 1855 S CB 1.533 64.738 63.200 0.008 0.000 0.923 1855 S HN 0.016 nan 8.310 nan 0.000 0.567 1856 P HA 0.093 nan 4.420 nan 0.000 0.223 1856 P C 1.384 178.686 177.300 0.004 0.000 1.151 1856 P CA 0.588 63.683 63.100 -0.008 0.000 0.787 1856 P CB -0.026 31.663 31.700 -0.017 0.000 0.788 1857 L N -2.006 119.225 121.223 0.014 0.000 2.141 1857 L HA 0.071 4.412 4.340 0.002 0.000 0.209 1857 L C 1.308 178.188 176.870 0.017 0.000 1.094 1857 L CA 1.204 56.055 54.840 0.019 0.000 0.763 1857 L CB -0.766 41.313 42.059 0.033 0.000 0.908 1857 L HN 0.178 nan 8.230 nan 0.000 0.437 1858 G N -1.042 107.770 108.800 0.020 0.000 2.315 1858 G HA2 -0.124 3.837 3.960 0.002 0.000 0.296 1858 G HA3 -0.124 3.837 3.960 0.002 0.000 0.296 1858 G C -1.621 173.297 174.900 0.030 0.000 1.289 1858 G CA -0.836 44.276 45.100 0.020 0.000 0.996 1858 G HN -0.047 nan 8.290 nan 0.000 0.487 1859 D N 1.325 121.742 120.400 0.029 0.000 2.344 1859 D HA 0.414 5.055 4.640 0.002 0.000 0.253 1859 D C 0.673 177.000 176.300 0.046 0.000 1.255 1859 D CA 0.561 54.583 54.000 0.037 0.000 0.894 1859 D CB 1.197 42.015 40.800 0.030 0.000 1.067 1859 D HN 1.130 nan 8.370 nan 0.000 0.492 1860 V N 0.558 120.513 119.914 0.069 0.000 2.735 1860 V HA 0.610 4.731 4.120 0.002 0.000 0.310 1860 V C -2.802 173.368 176.094 0.127 0.000 1.061 1860 V CA -2.626 59.727 62.300 0.089 0.000 0.913 1860 V CB 2.165 34.051 31.823 0.106 0.000 1.005 1860 V HN 0.081 nan 8.190 nan 0.000 0.428 1861 P HA 0.169 nan 4.420 nan 0.000 0.266 1861 P C -0.007 177.434 177.300 0.236 0.000 1.186 1861 P CA 0.285 63.466 63.100 0.135 0.000 0.767 1861 P CB 0.284 32.048 31.700 0.105 0.000 0.820 1862 I N 3.457 124.129 120.570 0.169 0.000 2.588 1862 I HA 0.143 4.314 4.170 0.002 0.000 0.283 1862 I C 0.481 176.725 176.117 0.212 0.000 1.119 1862 I CA 0.332 61.712 61.300 0.132 0.000 1.419 1862 I CB -0.286 37.745 38.000 0.052 0.000 1.394 1862 I HN 0.333 nan 8.210 nan 0.000 0.562 1863 F N 4.607 124.583 119.950 0.043 0.000 2.629 1863 F HA 0.636 5.164 4.527 0.001 0.000 0.316 1863 F C -0.685 175.136 175.800 0.035 0.000 1.081 1863 F CA -1.352 56.666 58.000 0.031 0.000 0.954 1863 F CB 0.782 39.796 39.000 0.023 0.000 1.337 1863 F HN 0.071 nan 8.300 nan 0.000 0.474 1864 I N 2.639 123.302 120.570 0.155 0.000 2.406 1864 I HA 0.221 4.392 4.170 0.002 0.000 0.293 1864 I C 0.857 177.066 176.117 0.153 0.000 1.101 1864 I CA -0.004 61.341 61.300 0.075 0.000 1.334 1864 I CB 1.088 39.139 38.000 0.085 0.000 1.421 1864 I HN 0.962 nan 8.210 nan 0.000 0.513 1865 A N 7.302 130.127 122.820 0.009 0.000 1.984 1865 A HA 0.268 4.589 4.320 0.002 0.000 0.214 1865 A C 0.919 178.543 177.584 0.067 0.000 1.173 1865 A CA 0.807 52.897 52.037 0.089 0.000 0.673 1865 A CB 0.315 19.289 19.000 -0.043 0.000 0.830 1865 A HN 0.717 nan 8.150 nan 0.000 0.453 1866 M N -1.889 117.724 119.600 0.023 0.000 2.773 1866 M HA 0.588 5.069 4.480 0.002 0.000 0.270 1866 M C -1.888 174.411 176.300 -0.001 0.000 1.238 1866 M CA -0.246 55.054 55.300 0.000 0.000 0.832 1866 M CB 2.207 34.787 32.600 -0.034 0.000 1.672 1866 M HN 0.227 nan 8.290 nan 0.000 0.480 1867 M N 0.481 120.066 119.600 -0.025 0.000 2.470 1867 M HA 0.395 4.876 4.480 0.002 0.000 0.285 1867 M C -1.500 174.770 176.300 -0.051 0.000 1.213 1867 M CA -0.753 54.552 55.300 0.009 0.000 0.901 1867 M CB 2.706 35.327 32.600 0.035 0.000 1.718 1867 M HN 0.570 nan 8.290 nan 0.000 0.469 1868 H N 3.120 122.194 119.070 0.006 0.000 2.742 1868 H HA 0.169 4.725 4.556 0.001 0.000 0.302 1868 H C -1.684 173.647 175.328 0.006 0.000 1.069 1868 H CA -1.070 54.981 56.048 0.005 0.000 1.446 1868 H CB 0.797 30.561 29.762 0.003 0.000 1.462 1868 H HN 0.340 nan 8.280 nan 0.000 0.499 1869 P HA -0.099 nan 4.420 nan 0.000 0.230 1869 P C 1.201 178.536 177.300 0.059 0.000 1.158 1869 P CA 0.974 64.108 63.100 0.057 0.000 0.769 1869 P CB 0.145 31.864 31.700 0.033 0.000 0.807 1870 T N -4.692 109.908 114.554 0.078 0.000 3.054 1870 T HA 0.343 4.694 4.350 0.002 0.000 0.255 1870 T C 1.031 175.753 174.700 0.036 0.000 1.035 1870 T CA -0.146 61.983 62.100 0.049 0.000 0.941 1870 T CB -0.289 68.605 68.868 0.043 0.000 1.026 1870 T HN -0.021 nan 8.240 nan 0.000 0.533 1871 G N 0.797 109.630 108.800 0.054 0.000 2.588 1871 G HA2 0.435 4.396 3.960 0.002 0.000 0.281 1871 G HA3 0.435 4.396 3.960 0.002 0.000 0.281 1871 G C 0.994 175.901 174.900 0.013 0.000 1.236 1871 G CA -0.258 44.851 45.100 0.015 0.000 0.969 1871 G HN 0.090 nan 8.290 nan 0.000 0.504 1872 V N 0.974 120.886 119.914 -0.003 0.000 2.287 1872 V HA -0.215 3.907 4.120 0.002 0.000 0.248 1872 V C 3.292 179.391 176.094 0.010 0.000 1.053 1872 V CA 2.626 64.925 62.300 -0.001 0.000 1.027 1872 V CB -1.147 30.670 31.823 -0.009 0.000 0.646 1872 V HN 0.818 nan 8.190 nan 0.000 0.447 1873 A N 0.104 122.934 122.820 0.017 0.000 1.865 1873 A HA -0.157 4.164 4.320 0.002 0.000 0.217 1873 A C 2.450 180.049 177.584 0.025 0.000 1.191 1873 A CA 2.328 54.379 52.037 0.022 0.000 0.623 1873 A CB -0.962 18.056 19.000 0.029 0.000 0.826 1873 A HN 0.597 nan 8.150 nan 0.000 0.444 1874 A N -1.083 121.758 122.820 0.034 0.000 1.940 1874 A HA -0.242 4.079 4.320 0.002 0.000 0.219 1874 A C 2.109 179.707 177.584 0.023 0.000 1.176 1874 A CA 1.737 53.793 52.037 0.033 0.000 0.631 1874 A CB -0.608 18.418 19.000 0.044 0.000 0.814 1874 A HN 0.653 nan 8.150 nan 0.000 0.446 1875 Q N -0.769 119.042 119.800 0.019 0.000 2.291 1875 Q HA -0.150 4.191 4.340 0.002 0.000 0.206 1875 Q C 2.207 178.214 176.000 0.011 0.000 0.976 1875 Q CA 1.801 57.612 55.803 0.013 0.000 0.875 1875 Q CB -0.297 28.447 28.738 0.009 0.000 0.927 1875 Q HN 0.935 nan 8.270 nan 0.000 0.450 1876 T N -2.855 111.706 114.554 0.012 0.000 2.951 1876 T HA -0.123 4.228 4.350 0.002 0.000 0.268 1876 T C 0.637 175.344 174.700 0.011 0.000 1.073 1876 T CA 0.796 62.903 62.100 0.010 0.000 1.134 1876 T CB 0.003 68.878 68.868 0.011 0.000 0.884 1876 T HN 0.382 nan 8.240 nan 0.000 0.479 1877 Q N -0.397 119.411 119.800 0.013 0.000 2.494 1877 Q HA -0.201 4.140 4.340 0.002 0.000 0.266 1877 Q C 0.998 177.005 176.000 0.013 0.000 1.053 1877 Q CA 1.048 56.859 55.803 0.013 0.000 1.029 1877 Q CB -2.326 26.419 28.738 0.011 0.000 1.423 1877 Q HN 0.798 nan 8.270 nan 0.000 0.516 1878 K N -0.166 120.243 120.400 0.014 0.000 2.481 1878 K HA 0.460 4.781 4.320 0.002 0.000 0.210 1878 K C 0.173 176.784 176.600 0.018 0.000 1.161 1878 K CA 0.439 56.735 56.287 0.014 0.000 1.023 1878 K CB 0.914 33.422 32.500 0.012 0.000 0.971 1878 K HN 0.211 nan 8.250 nan 0.000 0.577 1879 L N 1.004 122.239 121.223 0.021 0.000 2.331 1879 L HA 0.700 5.041 4.340 0.002 0.000 0.275 1879 L C -0.302 176.585 176.870 0.029 0.000 1.022 1879 L CA -1.451 53.404 54.840 0.026 0.000 0.812 1879 L CB 2.336 44.412 42.059 0.027 0.000 1.257 1879 L HN 0.105 nan 8.230 nan 0.000 0.435 1880 R N 0.937 121.458 120.500 0.034 0.000 2.698 1880 R HA 0.463 4.804 4.340 0.002 0.000 0.275 1880 R C -0.944 175.386 176.300 0.049 0.000 1.001 1880 R CA -0.858 55.263 56.100 0.035 0.000 0.896 1880 R CB 2.245 32.562 30.300 0.028 0.000 1.218 1880 R HN 0.385 nan 8.270 nan 0.000 0.462 1881 V N 2.029 121.972 119.914 0.049 0.000 2.694 1881 V HA 0.334 4.455 4.120 0.002 0.000 0.306 1881 V C 1.787 177.927 176.094 0.078 0.000 1.054 1881 V CA 2.164 64.506 62.300 0.070 0.000 1.161 1881 V CB 0.965 32.822 31.823 0.056 0.000 0.916 1881 V HN 1.253 nan 8.190 nan 0.000 0.490 1882 G N 3.512 112.388 108.800 0.128 0.000 2.217 1882 G HA2 -0.192 3.769 3.960 0.002 0.000 0.246 1882 G HA3 -0.192 3.769 3.960 0.002 0.000 0.246 1882 G C -0.050 174.901 174.900 0.086 0.000 0.990 1882 G CA 0.029 45.185 45.100 0.093 0.000 0.627 1882 G HN 0.693 nan 8.290 nan 0.000 0.522 1883 D N 0.983 121.441 120.400 0.096 0.000 2.458 1883 D HA 0.439 5.080 4.640 0.002 0.000 0.243 1883 D C 0.954 177.333 176.300 0.132 0.000 1.146 1883 D CA 0.299 54.350 54.000 0.084 0.000 0.877 1883 D CB 0.594 41.433 40.800 0.066 0.000 1.176 1883 D HN 0.203 nan 8.370 nan 0.000 0.461 1884 R N 1.497 122.058 120.500 0.102 0.000 2.349 1884 R HA 0.429 4.771 4.340 0.002 0.000 0.299 1884 R C -0.274 176.078 176.300 0.087 0.000 1.027 1884 R CA -0.439 55.736 56.100 0.125 0.000 0.958 1884 R CB 0.684 31.034 30.300 0.084 0.000 1.047 1884 R HN 0.375 nan 8.270 nan 0.000 0.468 1885 I N 3.835 124.458 120.570 0.088 0.000 2.301 1885 I HA 0.072 4.243 4.170 0.002 0.000 0.292 1885 I C 0.805 176.948 176.117 0.044 0.000 1.046 1885 I CA -0.296 61.036 61.300 0.054 0.000 1.282 1885 I CB 1.373 39.397 38.000 0.041 0.000 1.409 1885 I HN 0.431 nan 8.210 nan 0.000 0.484 1886 V N 3.940 123.874 119.914 0.033 0.000 2.500 1886 V HA -0.009 4.112 4.120 0.002 0.000 0.243 1886 V C 0.934 177.039 176.094 0.020 0.000 1.039 1886 V CA 1.356 63.672 62.300 0.027 0.000 1.053 1886 V CB -0.000 31.837 31.823 0.023 0.000 0.695 1886 V HN 0.897 nan 8.190 nan 0.000 0.463 1887 T N -1.441 113.123 114.554 0.016 0.000 2.916 1887 T HA 0.731 5.082 4.350 0.002 0.000 0.305 1887 T C -1.126 173.578 174.700 0.007 0.000 1.119 1887 T CA -0.470 61.636 62.100 0.010 0.000 1.008 1887 T CB 2.420 71.293 68.868 0.008 0.000 1.129 1887 T HN 0.009 nan 8.240 nan 0.000 0.480 1888 I N 1.202 121.773 120.570 0.002 0.000 2.498 1888 I HA 0.391 4.563 4.170 0.002 0.000 0.290 1888 I C 0.221 176.336 176.117 -0.004 0.000 1.032 1888 I CA -0.999 60.300 61.300 -0.002 0.000 1.073 1888 I CB 1.860 39.855 38.000 -0.009 0.000 1.251 1888 I HN 1.026 nan 8.210 nan 0.000 0.426 1889 C N 5.175 124.472 119.300 -0.004 0.000 4.114 1889 C HA -0.154 4.307 4.460 0.002 0.000 0.300 1889 C C 1.545 176.533 174.990 -0.002 0.000 1.423 1889 C CA 0.743 59.759 59.018 -0.004 0.000 2.034 1889 C CB -2.674 25.062 27.740 -0.007 0.000 1.299 1889 C HN 1.353 nan 8.230 nan 0.000 0.727 1890 G N -0.958 107.842 108.800 -0.000 0.000 2.159 1890 G HA2 -0.184 3.777 3.960 0.002 0.000 0.256 1890 G HA3 -0.184 3.777 3.960 0.002 0.000 0.256 1890 G C -0.083 174.817 174.900 0.001 0.000 0.977 1890 G CA 0.653 45.754 45.100 0.001 0.000 0.652 1890 G HN 0.903 nan 8.290 nan 0.000 0.531 1891 T N 0.213 114.768 114.554 0.001 0.000 2.887 1891 T HA 0.619 4.970 4.350 0.002 0.000 0.288 1891 T C 0.258 174.960 174.700 0.003 0.000 1.021 1891 T CA 0.310 62.411 62.100 0.001 0.000 1.000 1891 T CB 1.849 70.717 68.868 -0.001 0.000 1.034 1891 T HN 0.624 nan 8.240 nan 0.000 0.467 1892 S N 1.287 116.990 115.700 0.005 0.000 2.549 1892 S HA 0.113 4.584 4.470 0.002 0.000 0.283 1892 S C 1.506 176.111 174.600 0.009 0.000 1.320 1892 S CA -0.145 58.060 58.200 0.008 0.000 1.058 1892 S CB 0.215 63.421 63.200 0.009 0.000 0.882 1892 S HN 0.873 nan 8.310 nan 0.000 0.498 1893 T N 1.451 116.013 114.554 0.013 0.000 3.252 1893 T HA 0.208 4.560 4.350 0.002 0.000 0.250 1893 T C 0.324 175.037 174.700 0.021 0.000 1.123 1893 T CA -0.006 62.103 62.100 0.015 0.000 1.006 1893 T CB -0.110 68.770 68.868 0.021 0.000 0.992 1893 T HN 0.587 nan 8.240 nan 0.000 0.547 1894 E N 0.820 121.031 120.200 0.019 0.000 2.081 1894 E HA 0.450 4.801 4.350 0.002 0.000 0.281 1894 E C 0.841 177.452 176.600 0.018 0.000 0.986 1894 E CA 0.153 56.566 56.400 0.021 0.000 0.796 1894 E CB 0.839 30.550 29.700 0.019 0.000 1.085 1894 E HN 0.547 nan 8.360 nan 0.000 0.398 1895 G N 3.986 112.799 108.800 0.022 0.000 2.179 1895 G HA2 -0.261 3.701 3.960 0.002 0.000 0.220 1895 G HA3 -0.261 3.701 3.960 0.002 0.000 0.220 1895 G C 0.444 175.355 174.900 0.018 0.000 0.990 1895 G CA -0.121 44.990 45.100 0.019 0.000 0.646 1895 G HN 0.499 nan 8.290 nan 0.000 0.517 1896 M N 2.580 122.191 119.600 0.019 0.000 2.228 1896 M HA 0.378 4.859 4.480 0.002 0.000 0.351 1896 M C 1.472 177.787 176.300 0.026 0.000 1.233 1896 M CA 0.612 55.921 55.300 0.015 0.000 1.129 1896 M CB 0.738 33.342 32.600 0.007 0.000 1.604 1896 M HN 0.453 nan 8.290 nan 0.000 0.457 1897 T N -1.710 112.858 114.554 0.024 0.000 2.849 1897 T HA 0.093 4.444 4.350 0.002 0.000 0.284 1897 T C 0.867 175.600 174.700 0.057 0.000 1.004 1897 T CA -0.411 61.717 62.100 0.046 0.000 1.021 1897 T CB 0.740 69.632 68.868 0.040 0.000 1.013 1897 T HN 0.783 nan 8.240 nan 0.000 0.527 1898 H N 0.759 119.822 119.070 -0.011 0.000 2.352 1898 H HA -0.066 4.491 4.556 0.002 0.000 0.299 1898 H C 2.031 177.344 175.328 -0.024 0.000 1.097 1898 H CA 2.636 58.669 56.048 -0.025 0.000 1.311 1898 H CB -0.680 29.063 29.762 -0.030 0.000 1.377 1898 H HN 0.713 nan 8.280 nan 0.000 0.504 1899 T N 0.287 114.842 114.554 0.001 0.000 2.777 1899 T HA -0.151 4.200 4.350 0.002 0.000 0.266 1899 T C 1.912 176.567 174.700 -0.075 0.000 1.040 1899 T CA 1.541 63.612 62.100 -0.049 0.000 1.141 1899 T CB -0.143 68.737 68.868 0.019 0.000 0.868 1899 T HN 0.496 nan 8.240 nan 0.000 0.444 1900 Q N 0.471 120.245 119.800 -0.044 0.000 2.124 1900 Q HA -0.029 4.312 4.340 0.002 0.000 0.202 1900 Q C 2.654 178.615 176.000 -0.065 0.000 0.977 1900 Q CA 1.419 57.198 55.803 -0.041 0.000 0.850 1900 Q CB -0.261 28.466 28.738 -0.018 0.000 0.901 1900 Q HN 0.544 nan 8.270 nan 0.000 0.429 1901 A N 0.149 122.912 122.820 -0.095 0.000 1.872 1901 A HA -0.104 4.218 4.320 0.002 0.000 0.214 1901 A C 2.314 179.814 177.584 -0.140 0.000 1.187 1901 A CA 1.072 53.045 52.037 -0.107 0.000 0.614 1901 A CB -0.630 18.302 19.000 -0.113 0.000 0.826 1901 A HN 0.199 nan 8.150 nan 0.000 0.442 1902 V N 1.083 120.863 119.914 -0.223 0.000 2.343 1902 V HA -0.257 3.864 4.120 0.002 0.000 0.247 1902 V C 2.309 178.336 176.094 -0.112 0.000 1.051 1902 V CA 2.223 64.404 62.300 -0.198 0.000 1.036 1902 V CB -0.965 30.690 31.823 -0.280 0.000 0.654 1902 V HN 0.543 nan 8.190 nan 0.000 0.451 1903 N N -0.021 118.624 118.700 -0.091 0.000 2.120 1903 N HA -0.124 4.617 4.740 0.002 0.000 0.188 1903 N C 1.622 177.104 175.510 -0.047 0.000 1.024 1903 N CA 1.157 54.173 53.050 -0.057 0.000 0.852 1903 N CB -0.559 37.903 38.487 -0.043 0.000 1.003 1903 N HN 0.367 nan 8.380 nan 0.000 0.424 1904 L N 0.979 122.172 121.223 -0.049 0.000 2.012 1904 L HA -0.037 4.304 4.340 0.002 0.000 0.210 1904 L C 1.838 178.686 176.870 -0.037 0.000 1.073 1904 L CA 1.473 56.290 54.840 -0.037 0.000 0.748 1904 L CB -0.749 41.289 42.059 -0.035 0.000 0.891 1904 L HN 0.125 nan 8.230 nan 0.000 0.431 1905 L N -1.053 120.142 121.223 -0.047 0.000 2.179 1905 L HA -0.128 4.213 4.340 0.002 0.000 0.208 1905 L C 2.505 179.353 176.870 -0.036 0.000 1.096 1905 L CA 0.936 55.752 54.840 -0.040 0.000 0.779 1905 L CB -0.464 41.568 42.059 -0.046 0.000 0.922 1905 L HN 0.213 nan 8.230 nan 0.000 0.443 1906 K N -0.090 120.286 120.400 -0.040 0.000 2.103 1906 K HA -0.150 4.171 4.320 0.002 0.000 0.204 1906 K C 1.808 178.392 176.600 -0.027 0.000 1.052 1906 K CA 1.463 57.730 56.287 -0.033 0.000 0.945 1906 K CB -0.172 32.307 32.500 -0.035 0.000 0.722 1906 K HN 0.172 nan 8.250 nan 0.000 0.443 1907 N N 0.810 119.495 118.700 -0.026 0.000 2.270 1907 N HA -0.068 4.673 4.740 0.002 0.000 0.181 1907 N C 0.090 175.589 175.510 -0.019 0.000 1.016 1907 N CA 0.555 53.593 53.050 -0.021 0.000 0.870 1907 N CB 0.061 38.536 38.487 -0.021 0.000 0.979 1907 N HN 0.129 nan 8.380 nan 0.000 0.431 1908 A N -0.378 122.431 122.820 -0.020 0.000 2.386 1908 A HA 0.529 4.851 4.320 0.002 0.000 0.248 1908 A C 0.201 177.776 177.584 -0.015 0.000 1.082 1908 A CA 0.120 52.147 52.037 -0.016 0.000 0.789 1908 A CB 0.199 19.189 19.000 -0.017 0.000 1.025 1908 A HN 0.505 nan 8.150 nan 0.000 0.490 1909 S N -0.198 115.494 115.700 -0.013 0.000 2.672 1909 S HA 0.852 5.323 4.470 0.002 0.000 0.271 1909 S C 0.349 174.943 174.600 -0.010 0.000 1.171 1909 S CA 0.390 58.583 58.200 -0.012 0.000 0.817 1909 S CB 0.695 63.888 63.200 -0.012 0.000 1.150 1909 S HN 2.747 nan 8.310 nan 0.000 0.478 1910 G N 1.238 110.033 108.800 -0.009 0.000 2.509 1910 G HA2 -0.149 3.812 3.960 0.002 0.000 0.256 1910 G HA3 -0.149 3.812 3.960 0.002 0.000 0.256 1910 G C -0.140 174.756 174.900 -0.007 0.000 1.152 1910 G CA -0.105 44.990 45.100 -0.008 0.000 0.951 1910 G HN 1.756 nan 8.290 nan 0.000 0.559 1911 S N 0.896 116.592 115.700 -0.006 0.000 2.439 1911 S HA 0.590 5.061 4.470 0.002 0.000 0.282 1911 S C 0.356 174.953 174.600 -0.005 0.000 1.170 1911 S CA -0.151 58.046 58.200 -0.005 0.000 1.054 1911 S CB 0.424 63.622 63.200 -0.003 0.000 0.956 1911 S HN 0.567 nan 8.310 nan 0.000 0.490 1912 I N 3.114 123.681 120.570 -0.005 0.000 2.330 1912 I HA 0.304 4.476 4.170 0.002 0.000 0.289 1912 I C 0.418 176.533 176.117 -0.003 0.000 1.001 1912 I CA -0.447 60.850 61.300 -0.005 0.000 1.193 1912 I CB 1.007 39.003 38.000 -0.007 0.000 1.345 1912 I HN 0.520 nan 8.210 nan 0.000 0.461 1913 E N 8.216 128.415 120.200 -0.002 0.000 2.249 1913 E HA 0.485 4.836 4.350 0.002 0.000 0.280 1913 E C -1.566 175.035 176.600 0.001 0.000 1.016 1913 E CA -0.498 55.902 56.400 0.000 0.000 0.830 1913 E CB 1.932 31.633 29.700 0.001 0.000 1.081 1913 E HN 0.593 nan 8.360 nan 0.000 0.395 1914 M N 3.134 122.737 119.600 0.004 0.000 2.457 1914 M HA 0.260 4.741 4.480 0.002 0.000 0.300 1914 M C -1.486 174.820 176.300 0.010 0.000 1.141 1914 M CA -0.482 54.822 55.300 0.007 0.000 0.901 1914 M CB 2.288 34.893 32.600 0.008 0.000 1.687 1914 M HN 0.431 nan 8.290 nan 0.000 0.449 1915 Q N 3.013 122.820 119.800 0.012 0.000 2.333 1915 Q HA 0.704 5.045 4.340 0.002 0.000 0.267 1915 Q C -1.274 174.738 176.000 0.020 0.000 1.012 1915 Q CA -0.913 54.899 55.803 0.014 0.000 0.824 1915 Q CB 2.780 31.525 28.738 0.012 0.000 1.290 1915 Q HN 0.618 nan 8.270 nan 0.000 0.449 1916 V N -0.952 118.975 119.914 0.022 0.000 3.040 1916 V HA 0.887 5.008 4.120 0.002 0.000 0.312 1916 V C -0.483 175.626 176.094 0.025 0.000 1.115 1916 V CA -0.979 61.339 62.300 0.029 0.000 0.998 1916 V CB 1.813 33.656 31.823 0.034 0.000 1.042 1916 V HN 0.539 nan 8.190 nan 0.000 0.433 1917 V N 0.122 120.053 119.914 0.028 0.000 2.604 1917 V HA 0.983 5.105 4.120 0.002 0.000 0.305 1917 V C 0.526 176.633 176.094 0.022 0.000 1.043 1917 V CA -0.420 61.892 62.300 0.021 0.000 0.888 1917 V CB 0.981 32.813 31.823 0.016 0.000 0.995 1917 V HN 2.005 nan 8.190 nan 0.000 0.429 1918 A N 3.409 126.238 122.820 0.015 0.000 2.540 1918 A HA 0.496 4.817 4.320 0.002 0.000 0.239 1918 A C 1.577 179.161 177.584 -0.001 0.000 1.061 1918 A CA 0.575 52.618 52.037 0.011 0.000 0.758 1918 A CB 0.131 19.134 19.000 0.006 0.000 0.991 1918 A HN 1.893 nan 8.150 nan 0.000 0.502 1919 G N 1.567 110.361 108.800 -0.011 0.000 2.422 1919 G HA2 0.248 4.210 3.960 0.002 0.000 0.218 1919 G HA3 0.248 4.210 3.960 0.002 0.000 0.218 1919 G C 1.393 176.269 174.900 -0.040 0.000 1.146 1919 G CA 0.773 45.847 45.100 -0.043 0.000 0.769 1919 G HN 2.378 nan 8.290 nan 0.000 0.547 1920 G N 0.035 108.818 108.800 -0.028 0.000 2.198 1920 G HA2 -0.241 3.720 3.960 0.002 0.000 0.260 1920 G HA3 -0.241 3.720 3.960 0.002 0.000 0.260 1920 G C 0.279 175.160 174.900 -0.031 0.000 1.025 1920 G CA 0.806 45.891 45.100 -0.024 0.000 0.769 1920 G HN 0.689 nan 8.290 nan 0.000 0.507 1921 D N -2.633 117.741 120.400 -0.043 0.000 2.723 1921 D HA -0.167 4.475 4.640 0.002 0.000 0.236 1921 D C 1.502 177.774 176.300 -0.047 0.000 1.138 1921 D CA 1.170 55.142 54.000 -0.046 0.000 0.676 1921 D CB -1.139 39.642 40.800 -0.031 0.000 1.069 1921 D HN 0.571 nan 8.370 nan 0.000 0.430 1922 V N -0.232 119.648 119.914 -0.056 0.000 2.426 1922 V HA -0.076 4.046 4.120 0.002 0.000 0.242 1922 V C 2.044 178.101 176.094 -0.060 0.000 1.036 1922 V CA 1.931 64.201 62.300 -0.050 0.000 1.044 1922 V CB 0.168 31.964 31.823 -0.045 0.000 0.688 1922 V HN 0.477 nan 8.190 nan 0.000 0.462 1923 S N -0.138 115.509 115.700 -0.088 0.000 2.554 1923 S HA 0.287 4.758 4.470 0.002 0.000 0.226 1923 S C 0.086 174.623 174.600 -0.104 0.000 0.980 1923 S CA -0.430 57.714 58.200 -0.093 0.000 0.939 1923 S CB 0.003 63.138 63.200 -0.108 0.000 0.832 1923 S HN 0.709 nan 8.310 nan 0.000 0.486 1924 E N -0.186 119.953 120.200 -0.101 0.000 2.430 1924 E HA 0.659 5.010 4.350 0.002 0.000 0.279 1924 E C -1.475 175.091 176.600 -0.058 0.000 1.003 1924 E CA -0.929 55.421 56.400 -0.083 0.000 0.801 1924 E CB 0.874 30.507 29.700 -0.112 0.000 1.313 1924 E HN -0.017 nan 8.360 nan 0.000 0.459 1925 T N 0.685 115.214 114.554 -0.040 0.000 2.879 1925 T HA 0.484 4.836 4.350 0.002 0.000 0.290 1925 T C -0.606 174.082 174.700 -0.021 0.000 0.993 1925 T CA -1.010 61.073 62.100 -0.028 0.000 0.975 1925 T CB 1.352 70.207 68.868 -0.022 0.000 0.981 1925 T HN 0.424 nan 8.240 nan 0.000 0.439 1926 S N 2.417 118.107 115.700 -0.017 0.000 2.549 1926 S HA 0.516 4.987 4.470 0.002 0.000 0.283 1926 S C 0.574 175.169 174.600 -0.008 0.000 1.320 1926 S CA -0.720 57.474 58.200 -0.010 0.000 1.058 1926 S CB 0.411 63.606 63.200 -0.008 0.000 0.882 1926 S HN 0.757 nan 8.310 nan 0.000 0.498 1927 V N 0.000 119.911 119.914 -0.005 0.000 2.409 1927 V HA 0.000 4.121 4.120 0.002 0.000 0.244 1927 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 1927 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 1927 V HN 0.000 nan 8.190 nan 0.000 0.556