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_B DATA FIRST_RESID 1822 DATA SEQUENCE TENLYFQSMG LRTVEMKKGP TDSLGISIAG GVGSPLGDVP IFIAMMHPTX DATA SEQUENCE XXXXXXKLRV GDRIVTICGT STEGMTHTQA VNLLKNASGS IEMQVVAGGD DATA SEQUENCE 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 1822 T HA 0.000 nan 4.350 nan 0.000 0.228 1822 T C 0.000 174.725 174.700 0.041 0.000 1.109 1822 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 1822 T CB 0.000 68.900 68.868 0.053 0.000 0.612 1823 E N 1.299 121.576 120.200 0.129 0.000 2.077 1823 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 1823 E C 1.689 178.393 176.600 0.173 0.000 0.989 1823 E CA 1.804 58.305 56.400 0.168 0.000 0.800 1823 E CB -0.041 29.729 29.700 0.116 0.000 0.746 1823 E HN 0.533 nan 8.360 nan 0.000 0.452 1824 N N 0.225 119.023 118.700 0.164 0.000 2.244 1824 N HA -0.163 4.577 4.740 -0.001 0.000 0.183 1824 N C 2.000 177.585 175.510 0.125 0.000 1.016 1824 N CA 1.411 54.577 53.050 0.194 0.000 0.866 1824 N CB -0.781 37.781 38.487 0.125 0.000 0.980 1824 N HN 0.297 nan 8.380 nan 0.000 0.430 1825 L N -0.142 121.088 121.223 0.012 0.000 2.046 1825 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 1825 L C 2.358 179.171 176.870 -0.094 0.000 1.077 1825 L CA 1.689 56.478 54.840 -0.085 0.000 0.747 1825 L CB -1.995 39.934 42.059 -0.216 0.000 0.896 1825 L HN 0.141 nan 8.230 nan 0.000 0.432 1826 Y N -1.543 118.753 120.300 -0.007 0.000 2.145 1826 Y HA -0.179 4.372 4.550 0.001 0.000 0.286 1826 Y C 2.455 178.348 175.900 -0.012 0.000 1.145 1826 Y CA 2.160 60.225 58.100 -0.058 0.000 1.148 1826 Y CB -0.504 37.858 38.460 -0.163 0.000 0.981 1826 Y HN 0.338 nan 8.280 nan 0.000 0.507 1827 F N 0.068 120.111 119.950 0.154 0.000 2.126 1827 F HA -0.328 4.198 4.527 -0.001 0.000 0.299 1827 F C 2.691 178.524 175.800 0.056 0.000 1.096 1827 F CA 1.517 59.571 58.000 0.089 0.000 1.255 1827 F CB -0.341 38.697 39.000 0.064 0.000 0.997 1827 F HN 0.091 nan 8.300 nan 0.000 0.479 1828 Q N 0.356 120.294 119.800 0.230 0.000 2.135 1828 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 1828 Q C 2.259 178.315 176.000 0.093 0.000 0.981 1828 Q CA 1.989 57.865 55.803 0.122 0.000 0.856 1828 Q CB -0.165 28.617 28.738 0.073 0.000 0.902 1828 Q HN 0.415 nan 8.270 nan 0.000 0.425 1829 S N -0.586 115.167 115.700 0.089 0.000 2.442 1829 S HA -0.125 4.345 4.470 -0.001 0.000 0.236 1829 S C 1.559 176.211 174.600 0.088 0.000 1.007 1829 S CA 1.153 59.397 58.200 0.072 0.000 0.965 1829 S CB -0.128 63.113 63.200 0.069 0.000 0.773 1829 S HN 0.439 nan 8.310 nan 0.000 0.504 1830 M N 0.540 120.215 119.600 0.125 0.000 2.383 1830 M HA 0.355 4.835 4.480 -0.001 0.000 0.247 1830 M C 1.366 177.730 176.300 0.107 0.000 1.117 1830 M CA 0.474 55.847 55.300 0.120 0.000 0.995 1830 M CB 0.734 33.428 32.600 0.157 0.000 1.480 1830 M HN 0.542 nan 8.290 nan 0.000 0.485 1831 G N 1.611 110.467 108.800 0.093 0.000 2.159 1831 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.227 1831 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.227 1831 G C -0.440 174.491 174.900 0.052 0.000 0.986 1831 G CA -0.455 44.683 45.100 0.062 0.000 0.651 1831 G HN 0.367 nan 8.290 nan 0.000 0.523 1832 L N 1.703 122.972 121.223 0.075 0.000 2.276 1832 L HA 0.761 5.100 4.340 -0.001 0.000 0.286 1832 L C 0.466 177.346 176.870 0.017 0.000 1.024 1832 L CA -0.810 54.034 54.840 0.006 0.000 0.826 1832 L CB 0.654 42.653 42.059 -0.100 0.000 1.211 1832 L HN 0.203 nan 8.230 nan 0.000 0.422 1833 R N 2.892 123.389 120.500 -0.005 0.000 2.368 1833 R HA 0.602 4.941 4.340 -0.001 0.000 0.302 1833 R C -0.645 175.644 176.300 -0.018 0.000 1.002 1833 R CA -0.500 55.603 56.100 0.005 0.000 0.929 1833 R CB 1.340 31.646 30.300 0.011 0.000 1.073 1833 R HN 0.522 nan 8.270 nan 0.000 0.464 1834 T N 2.769 117.323 114.554 0.000 0.000 2.786 1834 T HA 0.378 4.727 4.350 -0.001 0.000 0.283 1834 T C -0.399 174.303 174.700 0.003 0.000 0.992 1834 T CA -0.746 61.349 62.100 -0.007 0.000 0.954 1834 T CB 1.269 70.143 68.868 0.010 0.000 0.934 1834 T HN 0.413 nan 8.240 nan 0.000 0.440 1835 V N 0.613 120.525 119.914 -0.004 0.000 2.769 1835 V HA 0.760 4.879 4.120 -0.001 0.000 0.312 1835 V C -0.677 175.416 176.094 -0.003 0.000 1.061 1835 V CA -0.952 61.348 62.300 -0.001 0.000 0.931 1835 V CB 2.273 34.095 31.823 -0.002 0.000 1.010 1835 V HN 0.668 nan 8.190 nan 0.000 0.433 1836 E N 4.102 124.301 120.200 -0.001 0.000 2.165 1836 E HA 0.614 4.964 4.350 -0.001 0.000 0.266 1836 E C -1.079 175.518 176.600 -0.005 0.000 0.889 1836 E CA -0.303 56.096 56.400 -0.003 0.000 0.756 1836 E CB 2.098 31.798 29.700 0.000 0.000 1.131 1836 E HN 0.780 nan 8.360 nan 0.000 0.411 1837 M N 1.126 120.721 119.600 -0.008 0.000 2.602 1837 M HA 0.427 4.906 4.480 -0.001 0.000 0.312 1837 M C -0.271 176.022 176.300 -0.012 0.000 1.181 1837 M CA -0.887 54.407 55.300 -0.010 0.000 0.910 1837 M CB 2.353 34.946 32.600 -0.012 0.000 1.723 1837 M HN -0.042 nan 8.290 nan 0.000 0.459 1838 K N 0.809 121.201 120.400 -0.013 0.000 2.385 1838 K HA 0.544 4.863 4.320 -0.001 0.000 0.248 1838 K C -1.067 175.523 176.600 -0.016 0.000 0.955 1838 K CA -1.065 55.214 56.287 -0.014 0.000 0.816 1838 K CB 2.576 35.068 32.500 -0.012 0.000 1.250 1838 K HN 0.603 nan 8.250 nan 0.000 0.434 1839 K N 0.456 120.847 120.400 -0.016 0.000 2.237 1839 K HA 0.449 4.769 4.320 -0.001 0.000 0.270 1839 K C 0.724 177.312 176.600 -0.019 0.000 1.015 1839 K CA -0.162 56.114 56.287 -0.018 0.000 0.949 1839 K CB 0.996 33.487 32.500 -0.016 0.000 0.976 1839 K HN 0.766 nan 8.250 nan 0.000 0.472 1840 G N 2.136 110.922 108.800 -0.023 0.000 2.828 1840 G HA2 0.408 4.367 3.960 -0.001 0.000 0.244 1840 G HA3 0.408 4.367 3.960 -0.001 0.000 0.244 1840 G C -2.562 172.325 174.900 -0.022 0.000 1.365 1840 G CA -1.288 43.796 45.100 -0.027 0.000 1.041 1840 G HN 0.324 nan 8.290 nan 0.000 0.560 1841 P HA 0.127 nan 4.420 nan 0.000 0.267 1841 P C 0.485 177.776 177.300 -0.015 0.000 1.200 1841 P CA 1.579 64.668 63.100 -0.018 0.000 0.772 1841 P CB 0.726 32.414 31.700 -0.019 0.000 0.855 1842 T N -1.339 113.209 114.554 -0.009 0.000 6.386 1842 T HA -0.294 4.055 4.350 -0.001 0.000 0.278 1842 T C 0.369 175.065 174.700 -0.007 0.000 2.163 1842 T CA 0.847 62.944 62.100 -0.006 0.000 3.541 1842 T CB -2.900 65.967 68.868 -0.001 0.000 1.383 1842 T HN 0.616 nan 8.240 nan 0.000 1.186 1843 D N -0.163 120.231 120.400 -0.010 0.000 2.699 1843 D HA -0.108 4.532 4.640 -0.001 0.000 0.239 1843 D C -0.287 176.006 176.300 -0.011 0.000 1.136 1843 D CA 1.591 55.584 54.000 -0.011 0.000 0.668 1843 D CB -1.215 39.580 40.800 -0.009 0.000 1.060 1843 D HN 1.137 nan 8.370 nan 0.000 0.429 1844 S N -0.699 114.993 115.700 -0.013 0.000 2.526 1844 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 1844 S C 0.996 175.586 174.600 -0.017 0.000 1.092 1844 S CA -0.915 57.278 58.200 -0.013 0.000 0.980 1844 S CB 1.305 64.500 63.200 -0.008 0.000 1.048 1844 S HN 0.192 nan 8.310 nan 0.000 0.483 1845 L N 3.492 124.705 121.223 -0.017 0.000 2.395 1845 L HA 0.232 4.571 4.340 -0.001 0.000 0.218 1845 L C 1.836 178.696 176.870 -0.016 0.000 1.130 1845 L CA 0.773 55.602 54.840 -0.018 0.000 0.826 1845 L CB -0.547 41.501 42.059 -0.019 0.000 0.941 1845 L HN 1.095 nan 8.230 nan 0.000 0.451 1846 G N 1.340 110.134 108.800 -0.010 0.000 2.137 1846 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.237 1846 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.237 1846 G C 0.123 175.033 174.900 0.017 0.000 1.002 1846 G CA 0.425 45.525 45.100 0.000 0.000 0.702 1846 G HN 0.463 nan 8.290 nan 0.000 0.515 1847 I N -3.057 117.517 120.570 0.007 0.000 2.730 1847 I HA 0.869 5.039 4.170 -0.001 0.000 0.298 1847 I C -0.229 175.884 176.117 -0.006 0.000 1.089 1847 I CA -1.247 60.056 61.300 0.005 0.000 1.041 1847 I CB 2.400 40.398 38.000 -0.004 0.000 1.235 1847 I HN -0.046 nan 8.210 nan 0.000 0.423 1848 S N 5.604 121.298 115.700 -0.011 0.000 2.454 1848 S HA 0.688 5.157 4.470 -0.001 0.000 0.306 1848 S C -0.259 174.296 174.600 -0.074 0.000 1.100 1848 S CA -0.662 57.519 58.200 -0.030 0.000 1.087 1848 S CB 1.316 64.504 63.200 -0.021 0.000 1.019 1848 S HN 0.649 nan 8.310 nan 0.000 0.480 1849 I N 0.470 120.987 120.570 -0.088 0.000 2.525 1849 I HA 0.989 5.159 4.170 -0.001 0.000 0.301 1849 I C -0.285 175.744 176.117 -0.146 0.000 0.992 1849 I CA -0.958 60.249 61.300 -0.154 0.000 1.162 1849 I CB 1.594 39.513 38.000 -0.135 0.000 1.332 1849 I HN 0.594 nan 8.210 nan 0.000 0.458 1850 A N 3.535 126.104 122.820 -0.418 0.000 2.469 1850 A HA 0.970 5.289 4.320 -0.001 0.000 0.299 1850 A C 0.094 177.488 177.584 -0.317 0.000 1.098 1850 A CA -0.183 51.578 52.037 -0.460 0.000 0.737 1850 A CB 0.937 19.405 19.000 -0.885 0.000 1.312 1850 A HN 2.010 nan 8.150 nan 0.000 0.414 1851 G N -0.483 108.296 108.800 -0.036 0.000 2.660 1851 G HA2 0.577 4.536 3.960 -0.001 0.000 0.215 1851 G HA3 0.577 4.536 3.960 -0.001 0.000 0.215 1851 G C 1.089 176.109 174.900 0.200 0.000 1.345 1851 G CA 0.573 45.749 45.100 0.127 0.000 0.877 1851 G HN 3.158 nan 8.290 nan 0.000 0.549 1852 G N -3.052 105.837 108.800 0.148 0.000 2.663 1852 G HA2 0.335 4.294 3.960 -0.001 0.000 0.686 1852 G HA3 0.335 4.294 3.960 -0.001 0.000 0.686 1852 G C -0.083 174.875 174.900 0.097 0.000 1.288 1852 G CA 0.186 45.356 45.100 0.117 0.000 0.836 1852 G HN 2.021 nan 8.290 nan 0.000 0.584 1853 V N 1.508 121.464 119.914 0.071 0.000 2.673 1853 V HA 0.402 4.522 4.120 -0.001 0.000 0.303 1853 V C 2.007 178.137 176.094 0.060 0.000 1.046 1853 V CA 2.142 64.474 62.300 0.053 0.000 1.126 1853 V CB 0.589 32.434 31.823 0.037 0.000 0.934 1853 V HN 2.840 nan 8.190 nan 0.000 0.487 1854 G N 3.582 112.405 108.800 0.039 0.000 2.159 1854 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.256 1854 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.256 1854 G C 0.395 175.299 174.900 0.008 0.000 0.977 1854 G CA 0.368 45.485 45.100 0.028 0.000 0.652 1854 G HN 1.331 nan 8.290 nan 0.000 0.531 1855 S N 0.307 116.005 115.700 -0.003 0.000 2.600 1855 S HA 0.598 5.068 4.470 -0.001 0.000 0.265 1855 S C -0.305 174.231 174.600 -0.106 0.000 1.325 1855 S CA -0.290 57.839 58.200 -0.119 0.000 1.002 1855 S CB 1.818 64.944 63.200 -0.122 0.000 0.921 1855 S HN 0.074 nan 8.310 nan 0.000 0.554 1856 P HA -0.003 nan 4.420 nan 0.000 0.228 1856 P C 0.998 178.269 177.300 -0.049 0.000 1.151 1856 P CA 0.850 63.895 63.100 -0.092 0.000 0.770 1856 P CB -0.129 31.504 31.700 -0.111 0.000 0.786 1857 L N -2.066 119.135 121.223 -0.036 0.000 2.558 1857 L HA 0.269 4.608 4.340 -0.001 0.000 0.225 1857 L C 1.337 178.221 176.870 0.023 0.000 1.128 1857 L CA 0.401 55.251 54.840 0.017 0.000 0.868 1857 L CB -0.742 41.362 42.059 0.075 0.000 1.006 1857 L HN 0.119 nan 8.230 nan 0.000 0.454 1858 G N 0.323 109.129 108.800 0.010 0.000 2.526 1858 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.250 1858 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.250 1858 G C -1.080 173.838 174.900 0.030 0.000 1.289 1858 G CA -0.737 44.373 45.100 0.017 0.000 0.947 1858 G HN 0.104 nan 8.290 nan 0.000 0.517 1859 D N 1.457 121.876 120.400 0.031 0.000 2.522 1859 D HA 0.424 5.063 4.640 -0.001 0.000 0.218 1859 D C 0.883 177.212 176.300 0.048 0.000 1.149 1859 D CA 0.594 54.618 54.000 0.040 0.000 0.981 1859 D CB 0.638 41.455 40.800 0.029 0.000 1.041 1859 D HN 1.031 nan 8.370 nan 0.000 0.518 1860 V N -0.952 119.005 119.914 0.073 0.000 2.919 1860 V HA 0.709 4.828 4.120 -0.001 0.000 0.316 1860 V C -2.665 173.501 176.094 0.120 0.000 1.077 1860 V CA -2.701 59.652 62.300 0.088 0.000 0.977 1860 V CB 1.788 33.678 31.823 0.110 0.000 1.039 1860 V HN -0.046 nan 8.190 nan 0.000 0.441 1861 P HA 0.236 nan 4.420 nan 0.000 0.266 1861 P C -0.178 177.267 177.300 0.240 0.000 1.193 1861 P CA 0.197 63.376 63.100 0.131 0.000 0.770 1861 P CB 0.197 31.951 31.700 0.090 0.000 0.836 1862 I N 3.765 124.438 120.570 0.171 0.000 2.588 1862 I HA 0.190 4.360 4.170 -0.001 0.000 0.283 1862 I C 0.507 176.758 176.117 0.223 0.000 1.119 1862 I CA 0.283 61.670 61.300 0.146 0.000 1.419 1862 I CB -0.326 37.702 38.000 0.047 0.000 1.394 1862 I HN 0.356 nan 8.210 nan 0.000 0.562 1863 F N 4.722 124.690 119.950 0.030 0.000 2.685 1863 F HA 0.656 5.182 4.527 -0.001 0.000 0.315 1863 F C -1.056 174.758 175.800 0.024 0.000 1.126 1863 F CA -1.298 56.714 58.000 0.019 0.000 0.950 1863 F CB 0.925 39.935 39.000 0.017 0.000 1.360 1863 F HN 0.044 nan 8.300 nan 0.000 0.469 1864 I N 2.420 123.078 120.570 0.146 0.000 2.301 1864 I HA 0.343 4.512 4.170 -0.001 0.000 0.292 1864 I C 0.790 176.978 176.117 0.118 0.000 1.046 1864 I CA -0.347 60.979 61.300 0.044 0.000 1.282 1864 I CB 1.491 39.532 38.000 0.070 0.000 1.409 1864 I HN 0.956 nan 8.210 nan 0.000 0.484 1865 A N 7.045 129.842 122.820 -0.037 0.000 1.935 1865 A HA 0.259 4.578 4.320 -0.001 0.000 0.214 1865 A C 0.788 178.417 177.584 0.075 0.000 1.178 1865 A CA 0.988 53.058 52.037 0.055 0.000 0.640 1865 A CB 0.154 19.099 19.000 -0.092 0.000 0.825 1865 A HN 0.695 nan 8.150 nan 0.000 0.447 1866 M N -1.996 117.626 119.600 0.037 0.000 2.578 1866 M HA 0.601 5.080 4.480 -0.001 0.000 0.276 1866 M C -1.357 174.968 176.300 0.041 0.000 1.245 1866 M CA 0.193 55.517 55.300 0.039 0.000 0.871 1866 M CB 2.347 34.962 32.600 0.025 0.000 1.722 1866 M HN 0.145 nan 8.290 nan 0.000 0.473 1867 M N 0.790 120.425 119.600 0.057 0.000 2.433 1867 M HA 0.432 4.912 4.480 -0.001 0.000 0.290 1867 M C -1.465 174.926 176.300 0.151 0.000 1.173 1867 M CA -0.618 54.729 55.300 0.077 0.000 0.905 1867 M CB 2.324 34.963 32.600 0.065 0.000 1.692 1867 M HN 0.757 nan 8.290 nan 0.000 0.462 1868 H N 1.913 120.984 119.070 0.002 0.000 2.803 1868 H HA 0.425 4.980 4.556 -0.001 0.000 0.219 1868 H C -2.820 172.508 175.328 0.000 0.000 1.379 1868 H CA -1.461 54.588 56.048 0.002 0.000 1.415 1868 H CB 0.609 30.373 29.762 0.002 0.000 1.943 1868 H HN 0.262 nan 8.280 nan 0.000 0.569 1869 P HA 0.302 nan 4.420 nan 0.000 0.275 1869 P C -0.175 176.988 177.300 -0.227 0.000 1.228 1869 P CA -0.168 62.852 63.100 -0.132 0.000 0.786 1869 P CB 1.483 33.145 31.700 -0.064 0.000 0.927 1879 L N 2.325 123.556 121.223 0.013 0.000 2.334 1879 L HA 0.623 4.962 4.340 -0.001 0.000 0.277 1879 L C 0.181 177.065 176.870 0.024 0.000 1.075 1879 L CA -1.061 53.790 54.840 0.018 0.000 0.804 1879 L CB 1.749 43.817 42.059 0.016 0.000 1.174 1879 L HN 0.377 nan 8.230 nan 0.000 0.438 1880 R N 1.362 121.880 120.500 0.031 0.000 2.807 1880 R HA 0.518 4.857 4.340 -0.001 0.000 0.276 1880 R C -1.129 175.203 176.300 0.052 0.000 0.979 1880 R CA -1.068 55.054 56.100 0.037 0.000 0.928 1880 R CB 2.315 32.633 30.300 0.032 0.000 1.191 1880 R HN 0.250 nan 8.270 nan 0.000 0.471 1881 V N 1.781 121.729 119.914 0.057 0.000 2.694 1881 V HA 0.111 4.231 4.120 -0.001 0.000 0.306 1881 V C 1.385 177.533 176.094 0.089 0.000 1.054 1881 V CA 1.972 64.321 62.300 0.081 0.000 1.161 1881 V CB 0.876 32.742 31.823 0.072 0.000 0.916 1881 V HN 1.156 nan 8.190 nan 0.000 0.490 1882 G N 3.551 112.440 108.800 0.148 0.000 2.195 1882 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.246 1882 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.246 1882 G C -0.033 174.929 174.900 0.104 0.000 0.984 1882 G CA 0.022 45.194 45.100 0.120 0.000 0.633 1882 G HN 0.677 nan 8.290 nan 0.000 0.525 1883 D N 0.842 121.307 120.400 0.109 0.000 2.424 1883 D HA 0.374 5.013 4.640 -0.001 0.000 0.244 1883 D C 0.986 177.360 176.300 0.124 0.000 1.134 1883 D CA 0.223 54.272 54.000 0.082 0.000 0.881 1883 D CB 0.481 41.317 40.800 0.059 0.000 1.191 1883 D HN 0.342 nan 8.370 nan 0.000 0.445 1884 R N 2.045 122.597 120.500 0.087 0.000 2.297 1884 R HA 0.411 4.750 4.340 -0.001 0.000 0.308 1884 R C -0.102 176.236 176.300 0.062 0.000 1.029 1884 R CA -0.602 55.559 56.100 0.101 0.000 0.929 1884 R CB 0.973 31.310 30.300 0.061 0.000 1.046 1884 R HN 0.361 nan 8.270 nan 0.000 0.461 1885 I N 3.821 124.429 120.570 0.064 0.000 2.312 1885 I HA 0.041 4.210 4.170 -0.001 0.000 0.291 1885 I C 1.076 177.198 176.117 0.008 0.000 1.031 1885 I CA -0.230 61.084 61.300 0.023 0.000 1.293 1885 I CB 1.556 39.562 38.000 0.010 0.000 1.403 1885 I HN 0.488 nan 8.210 nan 0.000 0.484 1886 V N 3.681 123.586 119.914 -0.015 0.000 2.575 1886 V HA 0.019 4.138 4.120 -0.001 0.000 0.242 1886 V C 0.883 176.956 176.094 -0.036 0.000 1.045 1886 V CA 1.154 63.438 62.300 -0.028 0.000 1.065 1886 V CB 0.052 31.842 31.823 -0.054 0.000 0.717 1886 V HN 0.892 nan 8.190 nan 0.000 0.467 1887 T N -1.383 113.144 114.554 -0.045 0.000 2.903 1887 T HA 0.751 5.100 4.350 -0.001 0.000 0.299 1887 T C -1.137 173.541 174.700 -0.036 0.000 1.093 1887 T CA -0.467 61.608 62.100 -0.042 0.000 1.002 1887 T CB 2.549 71.385 68.868 -0.054 0.000 1.127 1887 T HN 0.004 nan 8.240 nan 0.000 0.488 1888 I N 1.343 121.894 120.570 -0.031 0.000 2.478 1888 I HA 0.376 4.545 4.170 -0.001 0.000 0.287 1888 I C 0.077 176.179 176.117 -0.026 0.000 1.042 1888 I CA -0.892 60.390 61.300 -0.030 0.000 1.067 1888 I CB 1.794 39.773 38.000 -0.034 0.000 1.233 1888 I HN 1.055 nan 8.210 nan 0.000 0.431 1889 C N 4.964 124.250 119.300 -0.023 0.000 4.274 1889 C HA -0.161 4.299 4.460 -0.001 0.000 0.297 1889 C C 1.574 176.555 174.990 -0.015 0.000 1.446 1889 C CA 0.704 59.712 59.018 -0.017 0.000 2.016 1889 C CB -2.537 25.193 27.740 -0.018 0.000 1.273 1889 C HN 1.350 nan 8.230 nan 0.000 0.782 1890 G N -1.377 107.413 108.800 -0.017 0.000 2.179 1890 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.260 1890 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.260 1890 G C -0.063 174.828 174.900 -0.015 0.000 0.977 1890 G CA 0.577 45.669 45.100 -0.014 0.000 0.641 1890 G HN 0.888 nan 8.290 nan 0.000 0.533 1891 T N 1.128 115.672 114.554 -0.018 0.000 2.795 1891 T HA 0.588 4.937 4.350 -0.001 0.000 0.282 1891 T C 0.436 175.125 174.700 -0.019 0.000 0.980 1891 T CA 0.463 62.553 62.100 -0.016 0.000 1.012 1891 T CB 1.724 70.582 68.868 -0.016 0.000 0.936 1891 T HN 0.573 nan 8.240 nan 0.000 0.457 1892 S N 1.740 117.431 115.700 -0.016 0.000 2.560 1892 S HA 0.078 4.548 4.470 -0.001 0.000 0.284 1892 S C 1.623 176.216 174.600 -0.012 0.000 1.327 1892 S CA -0.102 58.089 58.200 -0.016 0.000 1.055 1892 S CB 0.317 63.511 63.200 -0.011 0.000 0.868 1892 S HN 0.874 nan 8.310 nan 0.000 0.506 1893 T N 0.908 115.456 114.554 -0.011 0.000 3.129 1893 T HA 0.156 4.506 4.350 -0.001 0.000 0.251 1893 T C 0.443 175.146 174.700 0.005 0.000 1.117 1893 T CA -0.042 62.056 62.100 -0.004 0.000 1.034 1893 T CB -0.197 68.671 68.868 -0.001 0.000 0.968 1893 T HN 0.611 nan 8.240 nan 0.000 0.526 1894 E N 1.620 121.823 120.200 0.004 0.000 2.406 1894 E HA 0.391 4.740 4.350 -0.001 0.000 0.258 1894 E C 1.378 177.984 176.600 0.009 0.000 1.043 1894 E CA 0.955 57.361 56.400 0.009 0.000 0.929 1894 E CB -0.582 29.122 29.700 0.006 0.000 0.969 1894 E HN 0.469 nan 8.360 nan 0.000 0.462 1895 G N 3.962 112.771 108.800 0.014 0.000 2.184 1895 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.264 1895 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.264 1895 G C 0.390 175.298 174.900 0.014 0.000 0.975 1895 G CA 0.358 45.466 45.100 0.014 0.000 0.642 1895 G HN 0.572 nan 8.290 nan 0.000 0.536 1896 M N 2.535 122.142 119.600 0.012 0.000 2.233 1896 M HA 0.473 4.953 4.480 -0.001 0.000 0.350 1896 M C 1.346 177.656 176.300 0.016 0.000 1.176 1896 M CA 0.495 55.798 55.300 0.006 0.000 1.150 1896 M CB 0.586 33.183 32.600 -0.006 0.000 1.530 1896 M HN 0.486 nan 8.290 nan 0.000 0.459 1897 T N -0.061 114.502 114.554 0.015 0.000 2.849 1897 T HA 0.134 4.483 4.350 -0.001 0.000 0.284 1897 T C 0.826 175.548 174.700 0.036 0.000 1.004 1897 T CA -0.233 61.889 62.100 0.038 0.000 1.021 1897 T CB 0.830 69.720 68.868 0.037 0.000 1.013 1897 T HN 0.866 nan 8.240 nan 0.000 0.527 1898 H N 1.148 120.211 119.070 -0.011 0.000 2.319 1898 H HA -0.086 4.469 4.556 -0.001 0.000 0.299 1898 H C 2.038 177.351 175.328 -0.024 0.000 1.092 1898 H CA 2.779 58.813 56.048 -0.023 0.000 1.302 1898 H CB -0.677 29.070 29.762 -0.026 0.000 1.373 1898 H HN 0.738 nan 8.280 nan 0.000 0.497 1899 T N 0.322 114.895 114.554 0.033 0.000 2.788 1899 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 1899 T C 1.931 176.593 174.700 -0.064 0.000 1.044 1899 T CA 1.543 63.634 62.100 -0.015 0.000 1.139 1899 T CB -0.194 68.698 68.868 0.041 0.000 0.867 1899 T HN 0.482 nan 8.240 nan 0.000 0.454 1900 Q N 0.551 120.324 119.800 -0.046 0.000 2.124 1900 Q HA -0.023 4.317 4.340 -0.001 0.000 0.202 1900 Q C 2.727 178.680 176.000 -0.078 0.000 0.977 1900 Q CA 1.402 57.176 55.803 -0.048 0.000 0.850 1900 Q CB -0.319 28.402 28.738 -0.028 0.000 0.901 1900 Q HN 0.578 nan 8.270 nan 0.000 0.429 1901 A N 0.180 122.929 122.820 -0.118 0.000 1.873 1901 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 1901 A C 2.321 179.808 177.584 -0.161 0.000 1.186 1901 A CA 1.312 53.267 52.037 -0.138 0.000 0.616 1901 A CB -0.738 18.161 19.000 -0.169 0.000 0.823 1901 A HN 0.212 nan 8.150 nan 0.000 0.442 1902 V N 1.035 120.809 119.914 -0.232 0.000 2.287 1902 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 1902 V C 2.299 178.331 176.094 -0.104 0.000 1.053 1902 V CA 2.281 64.467 62.300 -0.190 0.000 1.027 1902 V CB -1.002 30.688 31.823 -0.223 0.000 0.646 1902 V HN 0.554 nan 8.190 nan 0.000 0.447 1903 N N -0.188 118.462 118.700 -0.084 0.000 2.188 1903 N HA -0.108 4.632 4.740 -0.001 0.000 0.184 1903 N C 1.573 177.055 175.510 -0.046 0.000 1.018 1903 N CA 0.963 53.983 53.050 -0.052 0.000 0.858 1903 N CB -0.502 37.962 38.487 -0.038 0.000 0.989 1903 N HN 0.324 nan 8.380 nan 0.000 0.426 1904 L N 0.859 122.050 121.223 -0.052 0.000 2.017 1904 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 1904 L C 1.917 178.762 176.870 -0.042 0.000 1.073 1904 L CA 1.364 56.178 54.840 -0.043 0.000 0.745 1904 L CB -0.490 41.542 42.059 -0.044 0.000 0.894 1904 L HN 0.135 nan 8.230 nan 0.000 0.432 1905 L N -1.369 119.822 121.223 -0.053 0.000 2.179 1905 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 1905 L C 2.471 179.318 176.870 -0.038 0.000 1.096 1905 L CA 0.887 55.699 54.840 -0.046 0.000 0.779 1905 L CB -0.460 41.565 42.059 -0.057 0.000 0.922 1905 L HN 0.190 nan 8.230 nan 0.000 0.443 1906 K N -0.020 120.356 120.400 -0.040 0.000 2.097 1906 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 1906 K C 1.581 178.167 176.600 -0.023 0.000 1.050 1906 K CA 1.055 57.324 56.287 -0.030 0.000 0.938 1906 K CB -0.066 32.417 32.500 -0.029 0.000 0.718 1906 K HN 0.269 nan 8.250 nan 0.000 0.442 1907 N N 0.457 119.143 118.700 -0.024 0.000 2.422 1907 N HA 0.018 4.758 4.740 -0.001 0.000 0.181 1907 N C 0.174 175.674 175.510 -0.017 0.000 1.080 1907 N CA 0.206 53.245 53.050 -0.019 0.000 0.893 1907 N CB 0.159 38.635 38.487 -0.018 0.000 0.973 1907 N HN 0.097 nan 8.380 nan 0.000 0.456 1908 A N 0.690 123.499 122.820 -0.019 0.000 2.351 1908 A HA 0.531 4.850 4.320 -0.001 0.000 0.257 1908 A C 0.600 178.176 177.584 -0.015 0.000 1.087 1908 A CA -0.245 51.782 52.037 -0.017 0.000 0.798 1908 A CB 0.383 19.372 19.000 -0.020 0.000 1.033 1908 A HN 0.254 nan 8.150 nan 0.000 0.488 1909 S N -0.249 115.444 115.700 -0.012 0.000 2.732 1909 S HA 0.870 5.340 4.470 -0.001 0.000 0.293 1909 S C 0.636 175.230 174.600 -0.010 0.000 1.159 1909 S CA 0.004 58.198 58.200 -0.011 0.000 0.847 1909 S CB 0.822 64.017 63.200 -0.009 0.000 1.169 1909 S HN 2.635 nan 8.310 nan 0.000 0.501 1910 G N 1.575 110.370 108.800 -0.009 0.000 2.611 1910 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.301 1910 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.301 1910 G C 0.119 175.014 174.900 -0.008 0.000 1.233 1910 G CA 0.312 45.408 45.100 -0.007 0.000 0.993 1910 G HN 2.237 nan 8.290 nan 0.000 0.553 1911 S N -0.054 115.642 115.700 -0.007 0.000 2.457 1911 S HA 0.710 5.179 4.470 -0.001 0.000 0.289 1911 S C -0.136 174.459 174.600 -0.008 0.000 1.163 1911 S CA -0.659 57.537 58.200 -0.007 0.000 1.078 1911 S CB 1.463 64.660 63.200 -0.004 0.000 0.987 1911 S HN 0.791 nan 8.310 nan 0.000 0.482 1912 I N 2.208 122.772 120.570 -0.010 0.000 2.330 1912 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 1912 I C 0.364 176.473 176.117 -0.012 0.000 1.001 1912 I CA -0.510 60.782 61.300 -0.013 0.000 1.193 1912 I CB 1.623 39.613 38.000 -0.017 0.000 1.345 1912 I HN 0.662 nan 8.210 nan 0.000 0.461 1913 E N 7.476 127.669 120.200 -0.012 0.000 2.331 1913 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 1913 E C -0.698 175.891 176.600 -0.019 0.000 1.036 1913 E CA -0.419 55.974 56.400 -0.012 0.000 0.864 1913 E CB 1.793 31.488 29.700 -0.009 0.000 1.035 1913 E HN 0.579 nan 8.360 nan 0.000 0.408 1914 M N 2.960 122.547 119.600 -0.021 0.000 2.433 1914 M HA 0.434 4.914 4.480 -0.001 0.000 0.290 1914 M C -1.534 174.745 176.300 -0.035 0.000 1.173 1914 M CA -0.379 54.905 55.300 -0.027 0.000 0.905 1914 M CB 2.148 34.735 32.600 -0.021 0.000 1.692 1914 M HN 0.523 nan 8.290 nan 0.000 0.462 1915 Q N 3.334 123.103 119.800 -0.051 0.000 2.333 1915 Q HA 0.726 5.065 4.340 -0.001 0.000 0.267 1915 Q C -1.075 174.891 176.000 -0.057 0.000 1.012 1915 Q CA -0.999 54.759 55.803 -0.075 0.000 0.824 1915 Q CB 2.952 31.607 28.738 -0.139 0.000 1.290 1915 Q HN 0.661 nan 8.270 nan 0.000 0.449 1916 V N -1.021 118.866 119.914 -0.045 0.000 3.102 1916 V HA 0.913 5.032 4.120 -0.001 0.000 0.312 1916 V C -0.507 175.576 176.094 -0.019 0.000 1.135 1916 V CA -0.881 61.407 62.300 -0.020 0.000 1.022 1916 V CB 1.805 33.629 31.823 0.002 0.000 1.056 1916 V HN 0.602 nan 8.190 nan 0.000 0.436 1917 V N -0.653 119.259 119.914 -0.003 0.000 3.001 1917 V HA 1.014 5.134 4.120 -0.001 0.000 0.314 1917 V C 0.445 176.546 176.094 0.013 0.000 1.099 1917 V CA -0.525 61.777 62.300 0.003 0.000 0.989 1917 V CB 1.336 33.158 31.823 -0.000 0.000 1.040 1917 V HN 2.111 nan 8.190 nan 0.000 0.434 1918 A N 1.496 124.323 122.820 0.012 0.000 2.511 1918 A HA 0.622 4.941 4.320 -0.001 0.000 0.242 1918 A C 1.186 178.771 177.584 0.001 0.000 1.069 1918 A CA 0.508 52.551 52.037 0.010 0.000 0.763 1918 A CB 0.197 19.202 19.000 0.008 0.000 1.001 1918 A HN 1.893 nan 8.150 nan 0.000 0.498 1919 G N 0.618 109.414 108.800 -0.006 0.000 2.739 1919 G HA2 0.417 4.376 3.960 -0.001 0.000 0.200 1919 G HA3 0.417 4.376 3.960 -0.001 0.000 0.200 1919 G C 1.148 176.005 174.900 -0.071 0.000 1.069 1919 G CA 0.740 45.820 45.100 -0.033 0.000 0.768 1919 G HN 2.213 nan 8.290 nan 0.000 0.565 1920 G N 0.749 109.512 108.800 -0.063 0.000 2.184 1920 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.264 1920 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.264 1920 G C 0.855 175.677 174.900 -0.131 0.000 0.975 1920 G CA 0.790 45.845 45.100 -0.075 0.000 0.642 1920 G HN 0.377 nan 8.290 nan 0.000 0.536 1921 D N -0.470 119.795 120.400 -0.225 0.000 2.269 1921 D HA 0.129 4.769 4.640 -0.001 0.000 0.208 1921 D C 1.022 177.170 176.300 -0.254 0.000 0.963 1921 D CA 1.228 54.981 54.000 -0.412 0.000 0.864 1921 D CB 0.410 40.585 40.800 -1.041 0.000 0.936 1921 D HN 0.368 nan 8.370 nan 0.000 0.505 1922 V N 0.380 120.233 119.914 -0.102 0.000 2.525 1922 V HA 0.246 4.365 4.120 -0.001 0.000 0.299 1922 V C -0.333 175.759 176.094 -0.003 0.000 1.034 1922 V CA -0.814 61.484 62.300 -0.003 0.000 0.863 1922 V CB 2.048 33.924 31.823 0.087 0.000 0.999 1922 V HN -0.146 nan 8.190 nan 0.000 0.423 1923 S N 4.665 120.363 115.700 -0.004 0.000 2.520 1923 S HA 0.505 4.974 4.470 -0.001 0.000 0.324 1923 S C -0.354 174.250 174.600 0.007 0.000 1.069 1923 S CA -0.639 57.560 58.200 -0.002 0.000 1.121 1923 S CB 0.370 63.564 63.200 -0.010 0.000 0.971 1923 S HN 0.920 nan 8.310 nan 0.000 0.463 1924 E N 2.755 122.962 120.200 0.012 0.000 2.221 1924 E HA 0.683 5.032 4.350 -0.001 0.000 0.268 1924 E C -1.124 175.482 176.600 0.010 0.000 0.933 1924 E CA -0.857 55.551 56.400 0.014 0.000 0.809 1924 E CB 1.687 31.400 29.700 0.021 0.000 1.190 1924 E HN 0.360 nan 8.360 nan 0.000 0.406 1925 T N 1.490 116.049 114.554 0.008 0.000 2.921 1925 T HA 0.283 4.632 4.350 -0.001 0.000 0.297 1925 T C -0.723 173.980 174.700 0.005 0.000 1.013 1925 T CA -0.791 61.313 62.100 0.006 0.000 0.990 1925 T CB 1.694 70.564 68.868 0.004 0.000 1.023 1925 T HN 0.447 nan 8.240 nan 0.000 0.447 1926 S N 2.208 117.912 115.700 0.006 0.000 2.528 1926 S HA 0.523 4.992 4.470 -0.001 0.000 0.277 1926 S C 0.530 175.131 174.600 0.003 0.000 1.297 1926 S CA -0.705 57.498 58.200 0.005 0.000 1.052 1926 S CB 0.458 63.662 63.200 0.007 0.000 0.917 1926 S HN 0.676 nan 8.310 nan 0.000 0.492 1927 V N 0.000 119.915 119.914 0.001 0.000 2.409 1927 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1927 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 1927 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 1927 V HN 0.000 nan 8.190 nan 0.000 0.556