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 2iwo_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 2.267 122.774 120.500 0.012 0.000 2.599 1833 R HA 0.849 5.196 4.340 0.012 0.000 0.295 1833 R C -1.036 175.271 176.300 0.012 0.000 0.963 1833 R CA -0.796 55.311 56.100 0.012 0.000 0.883 1833 R CB 2.332 32.640 30.300 0.013 0.000 1.171 1833 R HN 0.546 nan 8.270 nan 0.000 0.450 1834 T N 2.308 116.868 114.554 0.010 0.000 2.779 1834 T HA 0.456 4.813 4.350 0.012 0.000 0.280 1834 T C -0.628 174.078 174.700 0.009 0.000 0.987 1834 T CA -0.569 61.537 62.100 0.010 0.000 0.966 1834 T CB 1.384 70.257 68.868 0.008 0.000 0.933 1834 T HN 0.159 nan 8.240 nan 0.000 0.442 1835 V N 2.883 122.803 119.914 0.010 0.000 2.656 1835 V HA 0.535 4.662 4.120 0.012 0.000 0.307 1835 V C -0.355 175.744 176.094 0.007 0.000 1.051 1835 V CA -0.986 61.320 62.300 0.009 0.000 0.893 1835 V CB 2.203 34.033 31.823 0.012 0.000 0.999 1835 V HN 0.728 nan 8.190 nan 0.000 0.426 1836 E N 4.185 124.389 120.200 0.006 0.000 2.145 1836 E HA 0.648 5.005 4.350 0.012 0.000 0.270 1836 E C -1.154 175.449 176.600 0.005 0.000 0.906 1836 E CA -0.328 56.074 56.400 0.005 0.000 0.761 1836 E CB 2.108 31.811 29.700 0.004 0.000 1.116 1836 E HN 0.628 nan 8.360 nan 0.000 0.408 1837 M N 1.151 120.753 119.600 0.004 0.000 2.530 1837 M HA 0.374 4.861 4.480 0.012 0.000 0.307 1837 M C -0.370 175.931 176.300 0.001 0.000 1.161 1837 M CA -0.950 54.352 55.300 0.004 0.000 0.903 1837 M CB 2.394 34.996 32.600 0.005 0.000 1.711 1837 M HN -0.120 nan 8.290 nan 0.000 0.451 1838 K N 1.397 121.797 120.400 0.001 0.000 2.244 1838 K HA 0.495 4.822 4.320 0.012 0.000 0.260 1838 K C -0.454 176.145 176.600 -0.003 0.000 0.951 1838 K CA -0.973 55.313 56.287 -0.002 0.000 0.826 1838 K CB 2.025 34.525 32.500 -0.001 0.000 1.108 1838 K HN 0.612 nan 8.250 nan 0.000 0.433 1845 L N 2.894 124.102 121.223 -0.026 0.000 2.418 1845 L HA 0.321 4.668 4.340 0.012 0.000 0.218 1845 L C 1.793 178.664 176.870 0.003 0.000 1.125 1845 L CA 0.667 55.501 54.840 -0.010 0.000 0.835 1845 L CB -0.453 41.602 42.059 -0.007 0.000 0.953 1845 L HN 1.175 nan 8.230 nan 0.000 0.454 1846 G N 1.779 110.575 108.800 -0.007 0.000 2.212 1846 G HA2 -0.257 3.710 3.960 0.012 0.000 0.255 1846 G HA3 -0.257 3.710 3.960 0.012 0.000 0.255 1846 G C 0.035 174.970 174.900 0.058 0.000 1.062 1846 G CA 0.500 45.618 45.100 0.030 0.000 0.815 1846 G HN 0.458 nan 8.290 nan 0.000 0.497 1847 I N -3.522 117.064 120.570 0.027 0.000 2.934 1847 I HA 0.869 5.046 4.170 0.012 0.000 0.306 1847 I C -0.221 175.902 176.117 0.010 0.000 1.110 1847 I CA -1.318 59.998 61.300 0.026 0.000 1.019 1847 I CB 2.382 40.393 38.000 0.019 0.000 1.227 1847 I HN -0.039 nan 8.210 nan 0.000 0.434 1848 S N 4.929 120.633 115.700 0.007 0.000 2.456 1848 S HA 0.663 5.140 4.470 0.012 0.000 0.316 1848 S C -0.293 174.280 174.600 -0.044 0.000 1.089 1848 S CA -0.631 57.565 58.200 -0.008 0.000 1.101 1848 S CB 1.080 64.281 63.200 0.001 0.000 0.995 1848 S HN 0.607 nan 8.310 nan 0.000 0.468 1849 I N 0.817 121.362 120.570 -0.041 0.000 2.525 1849 I HA 1.006 5.183 4.170 0.012 0.000 0.301 1849 I C -0.145 175.919 176.117 -0.087 0.000 0.992 1849 I CA -0.850 60.393 61.300 -0.095 0.000 1.162 1849 I CB 1.609 39.574 38.000 -0.058 0.000 1.332 1849 I HN 0.597 nan 8.210 nan 0.000 0.458 1850 A N 3.362 125.913 122.820 -0.448 0.000 2.524 1850 A HA 1.014 5.341 4.320 0.012 0.000 0.286 1850 A C 0.162 177.431 177.584 -0.524 0.000 1.203 1850 A CA -0.372 51.276 52.037 -0.648 0.000 0.736 1850 A CB 0.654 19.036 19.000 -1.030 0.000 1.322 1850 A HN 2.013 nan 8.150 nan 0.000 0.424 1851 G N -1.429 107.217 108.800 -0.258 0.000 2.632 1851 G HA2 0.562 4.529 3.960 0.012 0.000 0.224 1851 G HA3 0.562 4.529 3.960 0.012 0.000 0.224 1851 G C 1.157 176.110 174.900 0.089 0.000 1.341 1851 G CA 0.653 45.812 45.100 0.098 0.000 0.880 1851 G HN 3.154 nan 8.290 nan 0.000 0.566 1852 G N -3.269 105.605 108.800 0.124 0.000 2.555 1852 G HA2 0.368 4.335 3.960 0.012 0.000 0.686 1852 G HA3 0.368 4.335 3.960 0.012 0.000 0.686 1852 G C -0.171 174.775 174.900 0.077 0.000 1.275 1852 G CA 0.209 45.371 45.100 0.103 0.000 0.871 1852 G HN 2.014 nan 8.290 nan 0.000 0.603 1853 V N 1.455 121.406 119.914 0.062 0.000 2.557 1853 V HA 0.366 4.493 4.120 0.012 0.000 0.301 1853 V C 1.958 178.079 176.094 0.044 0.000 1.026 1853 V CA 2.273 64.600 62.300 0.046 0.000 1.137 1853 V CB 0.494 32.338 31.823 0.036 0.000 0.917 1853 V HN 2.818 nan 8.190 nan 0.000 0.484 1854 G N 3.619 112.440 108.800 0.035 0.000 2.143 1854 G HA2 -0.250 3.717 3.960 0.012 0.000 0.249 1854 G HA3 -0.250 3.717 3.960 0.012 0.000 0.249 1854 G C 0.395 175.310 174.900 0.025 0.000 0.981 1854 G CA 0.369 45.486 45.100 0.028 0.000 0.665 1854 G HN 1.365 nan 8.290 nan 0.000 0.528 1855 S N 0.041 115.757 115.700 0.028 0.000 2.587 1855 S HA 0.487 4.964 4.470 0.012 0.000 0.260 1855 S C -0.282 174.322 174.600 0.006 0.000 1.353 1855 S CA -0.027 58.178 58.200 0.008 0.000 0.995 1855 S CB 1.290 64.507 63.200 0.028 0.000 0.912 1855 S HN 0.007 nan 8.310 nan 0.000 0.568 1856 P HA 0.019 nan 4.420 nan 0.000 0.219 1856 P C 0.803 178.109 177.300 0.010 0.000 1.146 1856 P CA 1.038 64.138 63.100 -0.001 0.000 0.808 1856 P CB -0.062 31.633 31.700 -0.008 0.000 0.779 1857 L N -2.458 118.777 121.223 0.021 0.000 2.628 1857 L HA 0.330 4.677 4.340 0.012 0.000 0.229 1857 L C 1.207 178.088 176.870 0.019 0.000 1.137 1857 L CA 0.032 54.884 54.840 0.020 0.000 0.909 1857 L CB -0.605 41.469 42.059 0.026 0.000 1.137 1857 L HN 0.110 nan 8.230 nan 0.000 0.470 1858 G N -0.043 108.769 108.800 0.021 0.000 2.472 1858 G HA2 -0.200 3.767 3.960 0.012 0.000 0.205 1858 G HA3 -0.200 3.767 3.960 0.012 0.000 0.205 1858 G C -1.153 173.765 174.900 0.030 0.000 1.270 1858 G CA -0.809 44.303 45.100 0.020 0.000 0.974 1858 G HN 0.085 nan 8.290 nan 0.000 0.542 1859 D N 1.448 121.865 120.400 0.028 0.000 2.365 1859 D HA 0.469 5.116 4.640 0.012 0.000 0.237 1859 D C 0.700 177.024 176.300 0.040 0.000 1.190 1859 D CA 0.680 54.701 54.000 0.035 0.000 0.867 1859 D CB 1.099 41.915 40.800 0.027 0.000 1.050 1859 D HN 1.204 nan 8.370 nan 0.000 0.491 1860 V N 0.482 120.434 119.914 0.062 0.000 2.914 1860 V HA 0.705 4.832 4.120 0.012 0.000 0.314 1860 V C -2.808 173.351 176.094 0.108 0.000 1.084 1860 V CA -2.720 59.624 62.300 0.073 0.000 0.963 1860 V CB 2.187 34.059 31.823 0.081 0.000 1.025 1860 V HN 0.086 nan 8.190 nan 0.000 0.432 1861 P HA 0.172 nan 4.420 nan 0.000 0.266 1861 P C -0.006 177.427 177.300 0.222 0.000 1.195 1861 P CA 0.005 63.178 63.100 0.123 0.000 0.768 1861 P CB 0.170 31.924 31.700 0.090 0.000 0.838 1862 I N 4.043 124.714 120.570 0.168 0.000 2.775 1862 I HA -0.005 4.172 4.170 0.012 0.000 0.290 1862 I C 0.589 176.847 176.117 0.235 0.000 1.203 1862 I CA 0.880 62.274 61.300 0.156 0.000 1.433 1862 I CB -1.302 36.746 38.000 0.080 0.000 1.354 1862 I HN 0.393 nan 8.210 nan 0.000 0.579 1863 F N 5.226 125.203 119.950 0.045 0.000 2.626 1863 F HA 0.641 5.176 4.527 0.013 0.000 0.311 1863 F C -0.714 175.108 175.800 0.037 0.000 1.088 1863 F CA -1.292 56.727 58.000 0.032 0.000 0.949 1863 F CB 0.920 39.933 39.000 0.021 0.000 1.322 1863 F HN 0.115 nan 8.300 nan 0.000 0.461 1864 I N 2.818 123.509 120.570 0.201 0.000 2.347 1864 I HA 0.309 4.486 4.170 0.012 0.000 0.294 1864 I C 0.775 176.998 176.117 0.177 0.000 1.090 1864 I CA -0.152 61.206 61.300 0.096 0.000 1.314 1864 I CB 1.275 39.330 38.000 0.092 0.000 1.423 1864 I HN 0.959 nan 8.210 nan 0.000 0.503 1865 A N 7.494 130.328 122.820 0.023 0.000 2.044 1865 A HA 0.355 4.682 4.320 0.012 0.000 0.213 1865 A C 0.849 178.482 177.584 0.081 0.000 1.169 1865 A CA 0.722 52.821 52.037 0.102 0.000 0.724 1865 A CB 0.296 19.269 19.000 -0.046 0.000 0.840 1865 A HN 0.695 nan 8.150 nan 0.000 0.463 1866 M N -1.767 117.860 119.600 0.046 0.000 2.682 1866 M HA 0.544 5.031 4.480 0.012 0.000 0.272 1866 M C -1.723 174.604 176.300 0.045 0.000 1.232 1866 M CA -0.077 55.249 55.300 0.045 0.000 0.849 1866 M CB 2.171 34.793 32.600 0.037 0.000 1.695 1866 M HN 0.123 nan 8.290 nan 0.000 0.481 1867 M N 0.527 120.155 119.600 0.047 0.000 2.324 1867 M HA 0.325 4.812 4.480 0.012 0.000 0.288 1867 M C -1.177 175.165 176.300 0.071 0.000 1.097 1867 M CA -0.713 54.623 55.300 0.059 0.000 0.928 1867 M CB 2.550 35.177 32.600 0.045 0.000 1.648 1867 M HN 0.686 nan 8.290 nan 0.000 0.460 1868 H N 4.223 123.297 119.070 0.006 0.000 2.886 1868 H HA 0.140 4.696 4.556 0.000 0.000 0.329 1868 H C -1.899 173.433 175.328 0.006 0.000 1.044 1868 H CA -0.232 55.819 56.048 0.005 0.000 1.456 1868 H CB 0.912 30.676 29.762 0.002 0.000 1.464 1868 H HN 0.300 nan 8.280 nan 0.000 0.573 1869 P HA -0.131 nan 4.420 nan 0.000 0.218 1869 P C 0.740 177.975 177.300 -0.109 0.000 1.148 1869 P CA 1.870 64.844 63.100 -0.210 0.000 0.822 1869 P CB 0.325 31.883 31.700 -0.237 0.000 0.784 1870 T N -5.191 109.310 114.554 -0.089 0.000 3.129 1870 T HA 0.404 4.761 4.350 0.012 0.000 0.267 1870 T C 0.980 175.794 174.700 0.190 0.000 1.018 1870 T CA -0.274 61.871 62.100 0.075 0.000 0.903 1870 T CB -0.372 68.543 68.868 0.078 0.000 1.067 1870 T HN -0.006 nan 8.240 nan 0.000 0.549 1871 G N 0.840 109.803 108.800 0.272 0.000 2.653 1871 G HA2 0.391 4.358 3.960 0.012 0.000 0.265 1871 G HA3 0.391 4.358 3.960 0.012 0.000 0.265 1871 G C 1.019 175.967 174.900 0.080 0.000 1.237 1871 G CA -0.332 44.870 45.100 0.170 0.000 0.946 1871 G HN 0.108 nan 8.290 nan 0.000 0.522 1872 V N 0.895 120.837 119.914 0.045 0.000 2.343 1872 V HA -0.187 3.940 4.120 0.012 0.000 0.247 1872 V C 3.247 179.358 176.094 0.028 0.000 1.051 1872 V CA 2.512 64.829 62.300 0.028 0.000 1.036 1872 V CB -0.949 30.881 31.823 0.013 0.000 0.654 1872 V HN 0.818 nan 8.190 nan 0.000 0.451 1873 A N 0.011 122.851 122.820 0.033 0.000 1.902 1873 A HA -0.137 4.190 4.320 0.012 0.000 0.217 1873 A C 2.437 180.039 177.584 0.031 0.000 1.181 1873 A CA 2.121 54.176 52.037 0.030 0.000 0.623 1873 A CB -0.802 18.217 19.000 0.033 0.000 0.818 1873 A HN 0.571 nan 8.150 nan 0.000 0.443 1874 A N -0.703 122.141 122.820 0.039 0.000 1.902 1874 A HA -0.225 4.102 4.320 0.012 0.000 0.217 1874 A C 2.087 179.685 177.584 0.023 0.000 1.181 1874 A CA 1.692 53.746 52.037 0.030 0.000 0.623 1874 A CB -0.597 18.420 19.000 0.029 0.000 0.818 1874 A HN 0.656 nan 8.150 nan 0.000 0.443 1875 Q N -0.564 119.251 119.800 0.026 0.000 2.226 1875 Q HA -0.129 4.218 4.340 0.012 0.000 0.204 1875 Q C 2.190 178.200 176.000 0.016 0.000 0.975 1875 Q CA 1.730 57.545 55.803 0.020 0.000 0.866 1875 Q CB -0.463 28.288 28.738 0.022 0.000 0.915 1875 Q HN 0.920 nan 8.270 nan 0.000 0.440 1876 T N -1.740 112.824 114.554 0.016 0.000 2.881 1876 T HA -0.190 4.167 4.350 0.012 0.000 0.270 1876 T C 0.917 175.624 174.700 0.012 0.000 1.068 1876 T CA 0.829 62.937 62.100 0.014 0.000 1.131 1876 T CB -0.005 68.872 68.868 0.014 0.000 0.871 1876 T HN 0.209 nan 8.240 nan 0.000 0.479 1877 Q N -0.413 119.394 119.800 0.013 0.000 2.480 1877 Q HA -0.167 4.180 4.340 0.012 0.000 0.265 1877 Q C 0.509 176.516 176.000 0.011 0.000 1.072 1877 Q CA 1.399 57.208 55.803 0.011 0.000 1.018 1877 Q CB -2.094 26.649 28.738 0.009 0.000 1.433 1877 Q HN 0.707 nan 8.270 nan 0.000 0.513 1878 K N -1.128 119.280 120.400 0.013 0.000 2.477 1878 K HA 0.396 4.723 4.320 0.012 0.000 0.208 1878 K C 0.562 177.172 176.600 0.017 0.000 1.117 1878 K CA 0.174 56.469 56.287 0.014 0.000 1.039 1878 K CB 0.964 33.471 32.500 0.012 0.000 0.937 1878 K HN 0.233 nan 8.250 nan 0.000 0.570 1879 L N 0.919 122.154 121.223 0.020 0.000 2.342 1879 L HA 0.650 4.997 4.340 0.012 0.000 0.271 1879 L C -0.157 176.729 176.870 0.027 0.000 1.008 1879 L CA -1.067 53.788 54.840 0.025 0.000 0.818 1879 L CB 2.196 44.271 42.059 0.027 0.000 1.296 1879 L HN -0.111 nan 8.230 nan 0.000 0.427 1880 R N 0.887 121.407 120.500 0.033 0.000 2.744 1880 R HA 0.515 4.862 4.340 0.012 0.000 0.279 1880 R C -0.847 175.482 176.300 0.049 0.000 0.977 1880 R CA -0.917 55.203 56.100 0.034 0.000 0.906 1880 R CB 2.184 32.501 30.300 0.027 0.000 1.197 1880 R HN 0.383 nan 8.270 nan 0.000 0.463 1881 V N 2.014 121.958 119.914 0.050 0.000 2.694 1881 V HA 0.320 4.447 4.120 0.012 0.000 0.306 1881 V C 1.765 177.905 176.094 0.077 0.000 1.054 1881 V CA 2.158 64.501 62.300 0.072 0.000 1.161 1881 V CB 0.830 32.690 31.823 0.062 0.000 0.916 1881 V HN 1.242 nan 8.190 nan 0.000 0.490 1882 G N 3.622 112.495 108.800 0.122 0.000 2.213 1882 G HA2 -0.190 3.777 3.960 0.012 0.000 0.236 1882 G HA3 -0.190 3.777 3.960 0.012 0.000 0.236 1882 G C -0.031 174.918 174.900 0.081 0.000 0.991 1882 G CA 0.024 45.178 45.100 0.090 0.000 0.629 1882 G HN 0.683 nan 8.290 nan 0.000 0.517 1883 D N 0.826 121.282 120.400 0.093 0.000 2.443 1883 D HA 0.478 5.125 4.640 0.012 0.000 0.239 1883 D C 0.939 177.313 176.300 0.123 0.000 1.136 1883 D CA 0.336 54.384 54.000 0.080 0.000 0.879 1883 D CB 0.536 41.376 40.800 0.065 0.000 1.195 1883 D HN 0.214 nan 8.370 nan 0.000 0.443 1884 R N 1.273 121.828 120.500 0.092 0.000 2.407 1884 R HA 0.485 4.832 4.340 0.012 0.000 0.303 1884 R C -0.406 175.945 176.300 0.084 0.000 0.981 1884 R CA -0.525 55.644 56.100 0.114 0.000 0.905 1884 R CB 0.894 31.239 30.300 0.075 0.000 1.099 1884 R HN 0.360 nan 8.270 nan 0.000 0.459 1885 I N 3.531 124.155 120.570 0.091 0.000 2.304 1885 I HA 0.094 4.271 4.170 0.012 0.000 0.291 1885 I C 0.762 176.908 176.117 0.048 0.000 1.018 1885 I CA -0.303 61.032 61.300 0.059 0.000 1.260 1885 I CB 1.435 39.465 38.000 0.050 0.000 1.390 1885 I HN 0.417 nan 8.210 nan 0.000 0.475 1886 V N 3.693 123.628 119.914 0.035 0.000 2.685 1886 V HA 0.005 4.132 4.120 0.012 0.000 0.244 1886 V C 0.919 177.026 176.094 0.021 0.000 1.054 1886 V CA 1.219 63.536 62.300 0.028 0.000 1.076 1886 V CB -0.001 31.836 31.823 0.023 0.000 0.725 1886 V HN 0.892 nan 8.190 nan 0.000 0.467 1887 T N -1.352 113.213 114.554 0.018 0.000 2.909 1887 T HA 0.747 5.104 4.350 0.012 0.000 0.299 1887 T C -1.147 173.559 174.700 0.010 0.000 1.073 1887 T CA -0.474 61.634 62.100 0.013 0.000 0.999 1887 T CB 2.507 71.381 68.868 0.010 0.000 1.098 1887 T HN 0.006 nan 8.240 nan 0.000 0.477 1888 I N 1.305 121.879 120.570 0.005 0.000 2.533 1888 I HA 0.390 4.567 4.170 0.012 0.000 0.290 1888 I C 0.092 176.208 176.117 -0.002 0.000 1.056 1888 I CA -0.952 60.349 61.300 0.001 0.000 1.057 1888 I CB 1.918 39.915 38.000 -0.004 0.000 1.240 1888 I HN 1.042 nan 8.210 nan 0.000 0.423 1889 C N 5.130 124.428 119.300 -0.002 0.000 4.268 1889 C HA -0.149 4.318 4.460 0.012 0.000 0.299 1889 C C 1.528 176.517 174.990 -0.002 0.000 1.429 1889 C CA 0.698 59.714 59.018 -0.003 0.000 2.018 1889 C CB -2.608 25.129 27.740 -0.006 0.000 1.277 1889 C HN 1.365 nan 8.230 nan 0.000 0.767 1890 G N -0.067 108.733 108.800 0.001 0.000 2.153 1890 G HA2 -0.087 3.880 3.960 0.012 0.000 0.252 1890 G HA3 -0.087 3.880 3.960 0.012 0.000 0.252 1890 G C 0.002 174.903 174.900 0.002 0.000 0.994 1890 G CA 0.983 46.084 45.100 0.002 0.000 0.698 1890 G HN 1.986 nan 8.290 nan 0.000 0.521 1891 T N -2.704 111.851 114.554 0.002 0.000 2.893 1891 T HA 0.729 5.086 4.350 0.012 0.000 0.291 1891 T C 0.098 174.801 174.700 0.005 0.000 1.028 1891 T CA 0.332 62.434 62.100 0.003 0.000 0.995 1891 T CB 2.056 70.925 68.868 0.001 0.000 1.051 1891 T HN 1.007 nan 8.240 nan 0.000 0.470 1892 S N 0.818 116.522 115.700 0.006 0.000 2.562 1892 S HA 0.248 4.725 4.470 0.012 0.000 0.281 1892 S C 1.621 176.228 174.600 0.011 0.000 1.333 1892 S CA 0.150 58.356 58.200 0.010 0.000 1.052 1892 S CB 0.209 63.415 63.200 0.010 0.000 0.884 1892 S HN 1.024 nan 8.310 nan 0.000 0.506 1893 T N 1.154 115.718 114.554 0.016 0.000 3.100 1893 T HA 0.166 4.523 4.350 0.012 0.000 0.253 1893 T C 0.381 175.095 174.700 0.023 0.000 1.118 1893 T CA -0.120 61.992 62.100 0.020 0.000 1.058 1893 T CB -0.150 68.734 68.868 0.028 0.000 0.953 1893 T HN 0.577 nan 8.240 nan 0.000 0.515 1894 E N 1.729 121.941 120.200 0.021 0.000 2.729 1894 E HA 0.199 4.556 4.350 0.012 0.000 0.246 1894 E C 1.455 178.067 176.600 0.018 0.000 0.984 1894 E CA 1.281 57.693 56.400 0.020 0.000 0.951 1894 E CB -0.011 29.698 29.700 0.016 0.000 0.914 1894 E HN 0.683 nan 8.360 nan 0.000 0.509 1895 G N 3.622 112.435 108.800 0.022 0.000 2.176 1895 G HA2 -0.317 3.649 3.960 0.012 0.000 0.253 1895 G HA3 -0.317 3.649 3.960 0.012 0.000 0.253 1895 G C 0.500 175.412 174.900 0.020 0.000 0.979 1895 G CA 0.285 45.397 45.100 0.019 0.000 0.641 1895 G HN 0.470 nan 8.290 nan 0.000 0.530 1896 M N 2.374 121.988 119.600 0.022 0.000 2.217 1896 M HA 0.380 4.867 4.480 0.012 0.000 0.354 1896 M C 1.447 177.767 176.300 0.032 0.000 1.225 1896 M CA 0.523 55.835 55.300 0.020 0.000 1.137 1896 M CB 0.829 33.438 32.600 0.014 0.000 1.576 1896 M HN 0.448 nan 8.290 nan 0.000 0.461 1897 T N -1.865 112.706 114.554 0.029 0.000 2.816 1897 T HA 0.094 4.451 4.350 0.012 0.000 0.282 1897 T C 1.144 175.883 174.700 0.064 0.000 0.993 1897 T CA -0.427 61.703 62.100 0.050 0.000 0.994 1897 T CB 0.755 69.648 68.868 0.042 0.000 1.025 1897 T HN 0.765 nan 8.240 nan 0.000 0.529 1898 H N 0.422 119.485 119.070 -0.011 0.000 2.353 1898 H HA -0.106 4.456 4.556 0.010 0.000 0.300 1898 H C 1.834 177.146 175.328 -0.026 0.000 1.090 1898 H CA 2.161 58.193 56.048 -0.026 0.000 1.327 1898 H CB -0.414 29.328 29.762 -0.034 0.000 1.383 1898 H HN 0.752 nan 8.280 nan 0.000 0.508 1899 T N 1.052 115.572 114.554 -0.056 0.000 2.684 1899 T HA -0.172 4.185 4.350 0.012 0.000 0.267 1899 T C 2.090 176.728 174.700 -0.103 0.000 1.036 1899 T CA 1.582 63.622 62.100 -0.101 0.000 1.148 1899 T CB -0.209 68.647 68.868 -0.019 0.000 0.863 1899 T HN 0.478 nan 8.240 nan 0.000 0.436 1900 Q N 0.547 120.311 119.800 -0.059 0.000 2.061 1900 Q HA -0.077 4.270 4.340 0.012 0.000 0.204 1900 Q C 2.742 178.701 176.000 -0.068 0.000 0.984 1900 Q CA 1.574 57.348 55.803 -0.048 0.000 0.846 1900 Q CB -0.348 28.377 28.738 -0.022 0.000 0.902 1900 Q HN 0.564 nan 8.270 nan 0.000 0.421 1901 A N 0.195 122.964 122.820 -0.085 0.000 1.902 1901 A HA -0.138 4.189 4.320 0.012 0.000 0.217 1901 A C 2.331 179.839 177.584 -0.126 0.000 1.181 1901 A CA 1.374 53.359 52.037 -0.088 0.000 0.623 1901 A CB -0.690 18.266 19.000 -0.074 0.000 0.818 1901 A HN 0.221 nan 8.150 nan 0.000 0.443 1902 V N 0.951 120.736 119.914 -0.215 0.000 2.343 1902 V HA -0.246 3.881 4.120 0.012 0.000 0.247 1902 V C 2.284 178.303 176.094 -0.124 0.000 1.051 1902 V CA 2.125 64.299 62.300 -0.210 0.000 1.036 1902 V CB -0.974 30.655 31.823 -0.322 0.000 0.654 1902 V HN 0.541 nan 8.190 nan 0.000 0.451 1903 N N 0.021 118.657 118.700 -0.107 0.000 2.166 1903 N HA -0.133 4.614 4.740 0.012 0.000 0.186 1903 N C 1.631 177.109 175.510 -0.053 0.000 1.019 1903 N CA 1.143 54.152 53.050 -0.068 0.000 0.856 1903 N CB -0.504 37.950 38.487 -0.054 0.000 0.993 1903 N HN 0.345 nan 8.380 nan 0.000 0.426 1904 L N 0.989 122.180 121.223 -0.053 0.000 2.017 1904 L HA -0.025 4.322 4.340 0.012 0.000 0.208 1904 L C 1.985 178.833 176.870 -0.037 0.000 1.073 1904 L CA 1.321 56.138 54.840 -0.039 0.000 0.745 1904 L CB -0.545 41.494 42.059 -0.034 0.000 0.894 1904 L HN 0.121 nan 8.230 nan 0.000 0.432 1905 L N -1.130 120.065 121.223 -0.046 0.000 2.109 1905 L HA -0.176 4.171 4.340 0.012 0.000 0.207 1905 L C 2.521 179.368 176.870 -0.039 0.000 1.086 1905 L CA 1.095 55.911 54.840 -0.041 0.000 0.760 1905 L CB -0.489 41.542 42.059 -0.047 0.000 0.910 1905 L HN 0.204 nan 8.230 nan 0.000 0.437 1906 K N -0.093 120.279 120.400 -0.046 0.000 2.097 1906 K HA -0.176 4.151 4.320 0.012 0.000 0.205 1906 K C 1.791 178.372 176.600 -0.032 0.000 1.050 1906 K CA 1.544 57.807 56.287 -0.040 0.000 0.938 1906 K CB -0.155 32.318 32.500 -0.045 0.000 0.718 1906 K HN 0.188 nan 8.250 nan 0.000 0.442 1907 N N 0.575 119.256 118.700 -0.031 0.000 2.354 1907 N HA -0.039 4.708 4.740 0.012 0.000 0.179 1907 N C 0.038 175.536 175.510 -0.021 0.000 1.021 1907 N CA 0.375 53.410 53.050 -0.024 0.000 0.887 1907 N CB 0.110 38.582 38.487 -0.024 0.000 0.974 1907 N HN 0.115 nan 8.380 nan 0.000 0.437 1908 A N -0.253 122.555 122.820 -0.021 0.000 2.425 1908 A HA 0.474 4.801 4.320 0.012 0.000 0.242 1908 A C 0.470 178.045 177.584 -0.015 0.000 1.077 1908 A CA 0.201 52.228 52.037 -0.017 0.000 0.781 1908 A CB 0.134 19.125 19.000 -0.016 0.000 1.020 1908 A HN 0.473 nan 8.150 nan 0.000 0.494 1909 S N 0.239 115.932 115.700 -0.012 0.000 2.819 1909 S HA 0.833 5.310 4.470 0.012 0.000 0.299 1909 S C 0.496 175.091 174.600 -0.008 0.000 1.192 1909 S CA 0.608 58.802 58.200 -0.011 0.000 0.847 1909 S CB 0.542 63.735 63.200 -0.011 0.000 1.224 1909 S HN 2.785 nan 8.310 nan 0.000 0.537 1910 G N 1.194 109.990 108.800 -0.007 0.000 2.528 1910 G HA2 -0.158 3.809 3.960 0.012 0.000 0.262 1910 G HA3 -0.158 3.809 3.960 0.012 0.000 0.262 1910 G C -0.148 174.749 174.900 -0.005 0.000 1.200 1910 G CA -0.043 45.054 45.100 -0.005 0.000 0.951 1910 G HN 1.775 nan 8.290 nan 0.000 0.566 1911 S N 0.456 116.154 115.700 -0.003 0.000 2.465 1911 S HA 0.598 5.075 4.470 0.012 0.000 0.279 1911 S C 0.319 174.918 174.600 -0.003 0.000 1.201 1911 S CA -0.186 58.013 58.200 -0.002 0.000 1.053 1911 S CB 0.880 64.079 63.200 -0.001 0.000 0.953 1911 S HN 0.592 nan 8.310 nan 0.000 0.488 1912 I N 2.955 123.523 120.570 -0.003 0.000 2.359 1912 I HA 0.253 4.430 4.170 0.012 0.000 0.284 1912 I C 0.441 176.558 176.117 -0.001 0.000 1.018 1912 I CA -0.359 60.939 61.300 -0.003 0.000 1.173 1912 I CB 0.903 38.899 38.000 -0.006 0.000 1.326 1912 I HN 0.570 nan 8.210 nan 0.000 0.462 1913 E N 8.380 128.580 120.200 -0.000 0.000 2.283 1913 E HA 0.412 4.769 4.350 0.012 0.000 0.278 1913 E C -1.415 175.187 176.600 0.003 0.000 1.027 1913 E CA -0.365 56.036 56.400 0.002 0.000 0.843 1913 E CB 1.722 31.423 29.700 0.002 0.000 1.062 1913 E HN 0.591 nan 8.360 nan 0.000 0.401 1914 M N 3.643 123.246 119.600 0.006 0.000 2.386 1914 M HA 0.253 4.740 4.480 0.012 0.000 0.293 1914 M C -1.667 174.640 176.300 0.012 0.000 1.120 1914 M CA -0.462 54.843 55.300 0.009 0.000 0.909 1914 M CB 2.103 34.709 32.600 0.011 0.000 1.661 1914 M HN 0.423 nan 8.290 nan 0.000 0.452 1915 Q N 3.195 123.004 119.800 0.014 0.000 2.337 1915 Q HA 0.737 5.084 4.340 0.012 0.000 0.266 1915 Q C -1.138 174.875 176.000 0.021 0.000 1.023 1915 Q CA -0.975 54.837 55.803 0.016 0.000 0.829 1915 Q CB 2.976 31.723 28.738 0.013 0.000 1.306 1915 Q HN 0.646 nan 8.270 nan 0.000 0.449 1916 V N -1.193 118.735 119.914 0.022 0.000 3.040 1916 V HA 0.878 5.005 4.120 0.012 0.000 0.312 1916 V C -0.452 175.657 176.094 0.024 0.000 1.115 1916 V CA -0.946 61.371 62.300 0.029 0.000 0.998 1916 V CB 1.763 33.606 31.823 0.034 0.000 1.042 1916 V HN 0.575 nan 8.190 nan 0.000 0.433 1917 V N -0.054 119.877 119.914 0.027 0.000 2.715 1917 V HA 1.001 5.128 4.120 0.012 0.000 0.310 1917 V C 0.565 176.671 176.094 0.020 0.000 1.054 1917 V CA -0.369 61.943 62.300 0.020 0.000 0.928 1917 V CB 1.054 32.886 31.823 0.016 0.000 1.007 1917 V HN 1.937 nan 8.190 nan 0.000 0.437 1918 A N 2.765 125.593 122.820 0.013 0.000 2.445 1918 A HA 0.567 4.894 4.320 0.012 0.000 0.242 1918 A C 1.500 179.084 177.584 0.000 0.000 1.075 1918 A CA 0.380 52.423 52.037 0.010 0.000 0.777 1918 A CB 0.308 19.311 19.000 0.005 0.000 1.013 1918 A HN 1.794 nan 8.150 nan 0.000 0.493 1919 G N 0.765 109.561 108.800 -0.007 0.000 2.448 1919 G HA2 0.295 4.262 3.960 0.012 0.000 0.218 1919 G HA3 0.295 4.262 3.960 0.012 0.000 0.218 1919 G C 1.327 176.207 174.900 -0.033 0.000 1.135 1919 G CA 0.764 45.845 45.100 -0.031 0.000 0.784 1919 G HN 2.324 nan 8.290 nan 0.000 0.543 1920 G N -0.013 108.774 108.800 -0.021 0.000 2.155 1920 G HA2 -0.268 3.699 3.960 0.012 0.000 0.257 1920 G HA3 -0.268 3.699 3.960 0.012 0.000 0.257 1920 G C 0.380 175.266 174.900 -0.024 0.000 0.983 1920 G CA 0.813 45.902 45.100 -0.019 0.000 0.676 1920 G HN 0.649 nan 8.290 nan 0.000 0.528 1921 D N -2.423 117.958 120.400 -0.031 0.000 2.837 1921 D HA -0.178 4.469 4.640 0.012 0.000 0.230 1921 D C 1.615 177.892 176.300 -0.037 0.000 1.152 1921 D CA 1.203 55.183 54.000 -0.034 0.000 0.736 1921 D CB -1.203 39.583 40.800 -0.023 0.000 1.084 1921 D HN 0.620 nan 8.370 nan 0.000 0.429 1922 V N -0.178 119.710 119.914 -0.045 0.000 2.273 1922 V HA -0.139 3.988 4.120 0.012 0.000 0.242 1922 V C 2.152 178.215 176.094 -0.052 0.000 1.035 1922 V CA 2.143 64.417 62.300 -0.043 0.000 1.013 1922 V CB -0.122 31.677 31.823 -0.041 0.000 0.652 1922 V HN 0.483 nan 8.190 nan 0.000 0.452 1923 S N -0.360 115.295 115.700 -0.076 0.000 2.540 1923 S HA 0.186 4.663 4.470 0.012 0.000 0.218 1923 S C 0.394 174.940 174.600 -0.089 0.000 0.977 1923 S CA -0.291 57.858 58.200 -0.085 0.000 0.918 1923 S CB -0.037 63.094 63.200 -0.115 0.000 0.806 1923 S HN 0.771 nan 8.310 nan 0.000 0.496 1924 E N -0.039 120.113 120.200 -0.081 0.000 2.437 1924 E HA 0.421 4.778 4.350 0.012 0.000 0.280 1924 E C -1.763 174.809 176.600 -0.047 0.000 1.044 1924 E CA -0.711 55.649 56.400 -0.066 0.000 0.826 1924 E CB 0.865 30.514 29.700 -0.085 0.000 1.358 1924 E HN -0.038 nan 8.360 nan 0.000 0.459 1925 T N 0.757 115.291 114.554 -0.033 0.000 2.879 1925 T HA 0.401 4.758 4.350 0.012 0.000 0.290 1925 T C -0.646 174.045 174.700 -0.016 0.000 0.993 1925 T CA -0.639 61.447 62.100 -0.023 0.000 0.975 1925 T CB 1.404 70.261 68.868 -0.018 0.000 0.981 1925 T HN 0.394 nan 8.240 nan 0.000 0.439 1926 S N 2.590 118.282 115.700 -0.013 0.000 2.481 1926 S HA 0.486 4.963 4.470 0.012 0.000 0.276 1926 S C 0.611 175.208 174.600 -0.005 0.000 1.247 1926 S CA -0.733 57.463 58.200 -0.007 0.000 1.053 1926 S CB 0.225 63.422 63.200 -0.005 0.000 0.925 1926 S HN 0.646 nan 8.310 nan 0.000 0.491 1927 V N 0.000 119.912 119.914 -0.003 0.000 2.409 1927 V HA 0.000 4.127 4.120 0.012 0.000 0.244 1927 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 1927 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 1927 V HN 0.000 nan 8.190 nan 0.000 0.556