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 2aav_1_A DATA FIRST_RESID -4 DATA SEQUENCE GAMVXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVNC GHVTAYGPGL THGVVNKPAT FTVNTKDAGE DATA SEQUENCE GGLSLAIEGP SKAEISCTDN QDGTCSVSYL PVLPGDYSIL VKYNEQHVPG DATA SEQUENCE SPFTARVTGD D 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 -4 G HA2 0.000 nan 3.960 nan 0.000 0.244 -4 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 -4 G C 0.000 174.897 174.900 -0.005 0.000 0.946 -4 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 -3 A N 2.635 125.452 122.820 -0.005 0.000 2.259 -3 A HA 0.087 4.404 4.320 -0.006 0.000 0.278 -3 A C -1.394 176.185 177.584 -0.008 0.000 1.107 -3 A CA -0.486 51.547 52.037 -0.006 0.000 0.828 -3 A CB 0.936 19.933 19.000 -0.006 0.000 1.111 -3 A HN 0.153 8.300 8.150 -0.004 0.000 0.498 -2 M N -1.929 117.665 119.600 -0.010 0.000 2.716 -2 M HA 0.330 4.802 4.480 -0.014 0.000 0.307 -2 M C 0.254 176.543 176.300 -0.018 0.000 1.223 -2 M CA -1.145 54.147 55.300 -0.013 0.000 0.871 -2 M CB 2.650 35.244 32.600 -0.010 0.000 1.739 -2 M HN 0.393 9.009 8.290 -0.009 -0.331 0.475 1864 N N 1.171 119.869 118.700 -0.004 0.000 2.194 1864 N HA 0.059 4.806 4.740 0.011 0.000 0.231 1864 N C 0.421 175.937 175.510 0.009 0.000 1.247 1864 N CA 0.028 53.081 53.050 0.005 0.000 0.884 1864 N CB 1.081 39.569 38.487 0.002 0.000 1.146 1864 N HN -0.132 8.189 8.380 -0.009 0.054 0.516 1865 C N 1.555 120.857 119.300 0.004 0.000 2.702 1865 C HA -0.064 4.397 4.460 0.002 0.000 0.411 1865 C C 1.425 176.436 174.990 0.036 0.000 1.286 1865 C CA 1.514 60.535 59.018 0.006 0.000 1.979 1865 C CB 0.586 28.319 27.740 -0.013 0.000 2.728 1865 C HN -0.366 7.861 8.230 -0.005 0.000 0.652 1866 G N 0.385 109.206 108.800 0.035 0.000 2.683 1866 G HA2 -0.106 3.880 3.960 0.044 0.000 0.260 1866 G HA3 -0.106 3.859 3.960 0.009 0.000 0.260 1866 G C 0.654 175.635 174.900 0.136 0.000 1.238 1866 G CA -0.359 44.772 45.100 0.052 0.000 0.934 1866 G HN 0.277 8.579 8.290 0.019 0.000 0.534 1867 H N -1.572 117.455 119.070 -0.073 0.000 2.462 1867 H HA -0.209 4.312 4.556 -0.058 0.000 0.292 1867 H C -0.143 175.114 175.328 -0.119 0.000 1.049 1867 H CA 1.333 57.325 56.048 -0.094 0.000 1.334 1867 H CB 0.676 30.363 29.762 -0.126 0.000 1.404 1867 H HN 0.137 8.462 8.280 0.074 0.000 0.544 1868 V N -2.955 116.949 119.914 -0.016 0.000 2.817 1868 V HA 0.697 5.057 4.120 0.006 -0.236 0.303 1868 V C -1.484 174.623 176.094 0.021 0.000 1.151 1868 V CA -1.285 60.986 62.300 -0.048 0.000 0.929 1868 V CB 2.827 34.506 31.823 -0.241 0.000 1.030 1868 V HN -0.593 7.552 8.190 -0.009 0.040 0.427 1869 T N 8.549 123.159 114.554 0.094 0.000 2.896 1869 T HA 0.374 4.806 4.350 0.136 0.000 0.297 1869 T C -2.472 172.351 174.700 0.205 0.000 1.108 1869 T CA -1.357 60.833 62.100 0.151 0.000 1.004 1869 T CB 3.046 72.005 68.868 0.151 0.000 1.159 1869 T HN -0.209 8.094 8.240 0.104 0.000 0.499 1870 A N 1.897 124.832 122.820 0.192 0.000 2.359 1870 A HA 0.767 5.351 4.320 0.157 -0.170 0.303 1870 A C -2.044 175.583 177.584 0.072 0.000 1.066 1870 A CA -1.045 51.052 52.037 0.100 0.000 0.730 1870 A CB 2.589 21.546 19.000 -0.072 0.000 1.211 1870 A HN 0.105 8.366 8.150 0.185 0.000 0.439 1871 Y N 0.518 120.785 120.300 -0.055 0.000 2.625 1871 Y HA 0.365 4.825 4.550 -0.150 0.000 0.338 1871 Y C -2.545 173.357 175.900 0.004 0.000 1.123 1871 Y CA -1.579 56.483 58.100 -0.063 0.000 1.046 1871 Y CB 1.715 40.173 38.460 -0.002 0.000 1.299 1871 Y HN 0.949 9.181 8.280 -0.080 0.000 0.464 1872 G N -0.907 107.956 108.800 0.105 0.000 2.392 1872 G HA2 -0.201 3.839 3.960 0.134 0.000 0.677 1872 G HA3 -0.201 3.779 3.960 0.034 0.000 0.677 1872 G C -1.844 173.086 174.900 0.049 0.000 1.334 1872 G CA -0.421 44.722 45.100 0.072 0.000 0.961 1872 G HN 0.018 8.415 8.290 0.179 0.000 0.616 1873 P HA 0.019 4.479 4.420 0.067 0.000 0.223 1873 P C 0.644 178.006 177.300 0.103 0.000 1.151 1873 P CA 1.528 64.674 63.100 0.077 0.000 0.787 1873 P CB 0.442 32.183 31.700 0.069 0.000 0.788 1874 G N -1.881 107.007 108.800 0.147 0.000 2.776 1874 G HA2 -0.130 4.131 3.960 0.234 0.000 0.209 1874 G HA3 -0.130 4.266 3.960 0.461 -0.159 0.209 1874 G C 0.661 175.635 174.900 0.124 0.000 1.145 1874 G CA 1.196 46.456 45.100 0.265 0.000 0.791 1874 G HN -0.172 8.191 8.290 0.161 0.024 0.530 1875 L N -1.861 119.255 121.223 -0.178 0.000 2.446 1875 L HA 0.023 4.094 4.340 -0.448 0.000 0.219 1875 L C -0.272 176.575 176.870 -0.039 0.000 1.116 1875 L CA 1.368 56.001 54.840 -0.346 0.000 0.844 1875 L CB 0.226 41.883 42.059 -0.670 0.000 0.970 1875 L HN -0.736 7.354 8.230 -0.122 0.067 0.457 1876 T N -2.865 111.717 114.554 0.047 0.000 2.966 1876 T HA 0.195 4.785 4.350 0.112 -0.173 0.254 1876 T C -0.391 174.414 174.700 0.175 0.000 0.961 1876 T CA 0.256 62.423 62.100 0.112 0.000 0.915 1876 T CB 1.294 70.225 68.868 0.106 0.000 1.186 1876 T HN -0.516 7.592 8.240 0.043 0.158 0.505 1877 H N 0.658 119.756 119.070 0.047 0.000 2.977 1877 H HA 0.440 5.159 4.556 0.038 -0.139 0.350 1877 H C -2.352 172.992 175.328 0.026 0.000 1.238 1877 H CA -0.876 55.194 56.048 0.035 0.000 1.124 1877 H CB 4.130 33.905 29.762 0.021 0.000 1.866 1877 H HN 0.215 8.608 8.280 0.188 0.000 0.550 1878 G N -3.041 105.636 108.800 -0.205 0.000 2.682 1878 G HA2 0.431 4.340 3.960 -0.085 0.000 0.290 1878 G HA3 0.431 4.254 3.960 -0.228 0.000 0.290 1878 G C -2.951 171.870 174.900 -0.132 0.000 1.425 1878 G CA -0.322 44.685 45.100 -0.155 0.000 0.807 1878 G HN -0.216 7.615 8.290 -0.765 0.000 0.482 1879 V N 0.244 120.071 119.914 -0.144 0.000 2.488 1879 V HA 0.435 4.669 4.120 -0.071 -0.156 0.293 1879 V C -0.341 175.669 176.094 -0.140 0.000 1.027 1879 V CA -1.487 60.752 62.300 -0.101 0.000 0.862 1879 V CB 2.361 34.149 31.823 -0.058 0.000 1.008 1879 V HN 0.360 8.428 8.190 -0.203 0.000 0.428 1880 V N 9.445 129.291 119.914 -0.113 0.000 2.599 1880 V HA -0.430 3.784 4.120 -0.134 -0.174 0.300 1880 V C 0.686 176.737 176.094 -0.071 0.000 1.034 1880 V CA 2.050 64.293 62.300 -0.095 0.000 1.115 1880 V CB 0.207 32.001 31.823 -0.049 0.000 0.934 1880 V HN 0.349 8.485 8.190 -0.090 0.000 0.485 1881 N N 3.594 122.253 118.700 -0.069 0.000 2.857 1881 N HA -0.435 4.277 4.740 -0.046 0.000 0.242 1881 N C -1.467 174.004 175.510 -0.065 0.000 0.983 1881 N CA 1.778 54.797 53.050 -0.052 0.000 0.934 1881 N CB -0.737 37.734 38.487 -0.028 0.000 1.115 1881 N HN 0.711 9.044 8.380 -0.078 0.000 0.593 1882 K N 0.573 120.918 120.400 -0.091 0.000 2.324 1882 K HA 0.488 4.762 4.320 -0.076 0.000 0.253 1882 K C -2.620 173.893 176.600 -0.145 0.000 0.932 1882 K CA -2.701 53.529 56.287 -0.094 0.000 0.799 1882 K CB 1.448 33.906 32.500 -0.071 0.000 1.154 1882 K HN -0.681 7.433 8.250 -0.109 0.071 0.425 1883 P HA -0.088 4.332 4.420 -0.227 -0.136 0.260 1883 P C -1.367 175.777 177.300 -0.260 0.000 1.185 1883 P CA 0.473 63.458 63.100 -0.192 0.000 0.763 1883 P CB -0.100 31.524 31.700 -0.127 0.000 0.776 1884 A N 7.859 130.390 122.820 -0.481 0.000 2.309 1884 A HA 0.380 4.516 4.320 -0.306 0.000 0.298 1884 A C -1.580 175.754 177.584 -0.418 0.000 1.165 1884 A CA -0.874 50.821 52.037 -0.571 0.000 0.821 1884 A CB 2.050 20.404 19.000 -1.077 0.000 1.102 1884 A HN 0.605 8.393 8.150 -0.603 0.000 0.500 1885 T N -1.283 113.224 114.554 -0.078 0.000 2.900 1885 T HA 0.762 5.262 4.350 0.028 -0.133 0.303 1885 T C -1.379 173.436 174.700 0.191 0.000 1.142 1885 T CA -1.864 60.253 62.100 0.028 0.000 1.007 1885 T CB 2.848 71.682 68.868 -0.056 0.000 1.156 1885 T HN -0.087 8.125 8.240 -0.046 0.000 0.490 1886 F N -1.855 118.099 119.950 0.006 0.000 2.685 1886 F HA 0.723 5.171 4.527 -0.131 0.000 0.315 1886 F C -2.541 173.140 175.800 -0.197 0.000 1.126 1886 F CA -1.615 56.320 58.000 -0.108 0.000 0.950 1886 F CB 2.148 41.085 39.000 -0.106 0.000 1.360 1886 F HN 0.159 8.277 8.300 -0.303 0.000 0.469 1887 T N 2.258 116.740 114.554 -0.121 0.000 2.823 1887 T HA 0.470 4.659 4.350 -0.268 0.000 0.279 1887 T C -1.686 172.872 174.700 -0.237 0.000 0.998 1887 T CA -0.122 61.762 62.100 -0.360 0.000 0.994 1887 T CB 1.425 69.856 68.868 -0.728 0.000 0.960 1887 T HN 0.627 8.798 8.240 -0.116 0.000 0.448 1888 V N -0.611 119.243 119.914 -0.099 0.000 2.864 1888 V HA 0.855 5.208 4.120 0.105 -0.170 0.314 1888 V C -1.813 174.324 176.094 0.072 0.000 1.073 1888 V CA -2.952 59.376 62.300 0.047 0.000 0.956 1888 V CB 3.592 35.470 31.823 0.092 0.000 1.023 1888 V HN 0.277 8.392 8.190 -0.126 0.000 0.435 1889 N N 1.592 120.373 118.700 0.135 0.000 2.594 1889 N HA 0.427 5.226 4.740 0.097 0.000 0.280 1889 N C 0.489 176.056 175.510 0.095 0.000 1.156 1889 N CA -0.211 52.917 53.050 0.129 0.000 0.831 1889 N CB 2.435 41.046 38.487 0.206 0.000 1.379 1889 N HN 0.285 8.759 8.380 0.155 0.000 0.536 1890 T N 3.992 118.591 114.554 0.076 0.000 3.565 1890 T HA 0.209 4.584 4.350 0.042 0.000 0.248 1890 T C 0.759 175.475 174.700 0.027 0.000 1.033 1890 T CA -0.868 61.269 62.100 0.061 0.000 0.952 1890 T CB -1.269 67.659 68.868 0.101 0.000 1.072 1890 T HN 0.499 8.784 8.240 0.075 0.000 0.609 1891 K N 1.211 121.623 120.400 0.021 0.000 2.163 1891 K HA -0.309 4.014 4.320 0.004 0.000 0.210 1891 K C 0.475 177.041 176.600 -0.057 0.000 1.048 1891 K CA 2.461 58.745 56.287 -0.005 0.000 0.928 1891 K CB -0.666 31.837 32.500 0.005 0.000 0.716 1891 K HN -0.365 7.866 8.250 0.042 0.044 0.459 1892 D N -4.543 115.789 120.400 -0.113 0.000 2.498 1892 D HA 0.116 4.645 4.640 -0.186 0.000 0.223 1892 D C 0.219 176.412 176.300 -0.178 0.000 1.125 1892 D CA 0.455 54.304 54.000 -0.250 0.000 0.835 1892 D CB 1.469 41.896 40.800 -0.621 0.000 1.086 1892 D HN -0.321 7.982 8.370 -0.071 0.024 0.510 1893 A N -0.416 122.369 122.820 -0.058 0.000 1.933 1893 A HA -0.183 4.184 4.320 0.079 0.000 0.218 1893 A C 0.034 177.694 177.584 0.126 0.000 1.175 1893 A CA 1.887 53.950 52.037 0.044 0.000 0.628 1893 A CB 0.814 19.780 19.000 -0.057 0.000 0.814 1893 A HN -0.363 7.677 8.150 -0.051 0.078 0.444 1894 G N -3.571 105.275 108.800 0.078 0.000 2.339 1894 G HA2 -0.128 3.859 3.960 0.046 0.000 0.275 1894 G HA3 -0.128 3.892 3.960 0.099 0.000 0.275 1894 G C -1.988 172.947 174.900 0.058 0.000 1.323 1894 G CA -0.367 44.776 45.100 0.073 0.000 0.927 1894 G HN -0.583 7.733 8.290 0.043 0.000 0.486 1895 E N -0.173 120.057 120.200 0.050 0.000 2.482 1895 E HA -0.068 4.302 4.350 0.033 0.000 0.196 1895 E C -0.410 176.218 176.600 0.045 0.000 1.047 1895 E CA 0.899 57.322 56.400 0.038 0.000 0.869 1895 E CB 0.180 29.895 29.700 0.026 0.000 0.836 1895 E HN 0.248 8.637 8.360 0.049 0.000 0.520 1896 G N -4.495 104.346 108.800 0.068 0.000 2.441 1896 G HA2 -0.005 4.005 3.960 0.084 0.000 0.222 1896 G HA3 -0.005 3.982 3.960 0.046 0.000 0.222 1896 G C -1.248 173.703 174.900 0.085 0.000 1.254 1896 G CA -0.638 44.505 45.100 0.072 0.000 0.959 1896 G HN -0.707 7.554 8.290 0.084 0.080 0.474 1897 G N -2.617 106.209 108.800 0.043 0.000 2.194 1897 G HA2 -0.211 3.739 3.960 -0.015 0.000 0.236 1897 G HA3 -0.211 3.735 3.960 -0.022 0.000 0.236 1897 G C -0.256 174.616 174.900 -0.045 0.000 0.987 1897 G CA -0.181 44.915 45.100 -0.007 0.000 0.635 1897 G HN 0.194 8.505 8.290 0.034 0.000 0.520 1898 L N -2.168 119.074 121.223 0.033 0.000 2.476 1898 L HA 0.159 4.457 4.340 -0.069 0.000 0.255 1898 L C -1.472 175.419 176.870 0.034 0.000 1.218 1898 L CA -0.153 54.720 54.840 0.055 0.000 0.819 1898 L CB 0.053 42.276 42.059 0.274 0.000 1.119 1898 L HN -0.587 7.633 8.230 0.103 0.071 0.485 1899 S N -1.307 114.419 115.700 0.043 0.000 2.607 1899 S HA 0.284 4.772 4.470 0.030 0.000 0.273 1899 S C -1.938 172.704 174.600 0.071 0.000 1.148 1899 S CA -0.886 57.335 58.200 0.034 0.000 0.833 1899 S CB 1.919 65.117 63.200 -0.002 0.000 1.130 1899 S HN -0.016 8.334 8.310 0.068 0.000 0.470 1900 L N 0.638 121.899 121.223 0.064 0.000 2.309 1900 L HA 0.963 5.563 4.340 0.129 -0.183 0.261 1900 L C -1.061 175.849 176.870 0.067 0.000 1.021 1900 L CA -1.531 53.363 54.840 0.090 0.000 0.823 1900 L CB 4.506 46.619 42.059 0.089 0.000 1.366 1900 L HN 0.253 8.506 8.230 0.039 0.000 0.423 1901 A N -0.636 122.232 122.820 0.080 0.000 2.549 1901 A HA 0.390 4.734 4.320 0.040 0.000 0.297 1901 A C -2.505 175.106 177.584 0.045 0.000 1.061 1901 A CA -0.843 51.228 52.037 0.057 0.000 0.690 1901 A CB 3.397 22.436 19.000 0.065 0.000 1.287 1901 A HN 0.323 8.539 8.150 0.110 0.000 0.402 1902 I N 1.996 122.579 120.570 0.021 0.000 2.465 1902 I HA 0.713 5.089 4.170 0.013 -0.198 0.291 1902 I C -0.885 175.227 176.117 -0.007 0.000 1.014 1902 I CA -1.118 60.188 61.300 0.009 0.000 1.093 1902 I CB 3.303 41.296 38.000 -0.013 0.000 1.267 1902 I HN 0.234 8.458 8.210 0.023 0.000 0.431 1903 E N 4.738 124.916 120.200 -0.037 0.000 2.316 1903 E HA 0.343 4.631 4.350 -0.104 0.000 0.258 1903 E C -0.123 176.341 176.600 -0.226 0.000 0.952 1903 E CA -2.681 53.660 56.400 -0.099 0.000 0.818 1903 E CB 3.744 33.408 29.700 -0.060 0.000 1.260 1903 E HN 0.286 8.639 8.360 -0.012 0.000 0.416 1904 G N -1.021 107.615 108.800 -0.274 0.000 2.351 1904 G HA2 -0.075 3.731 3.960 -0.256 0.000 0.279 1904 G HA3 -0.075 3.404 3.960 -0.802 0.000 0.279 1904 G C -2.162 172.567 174.900 -0.285 0.000 1.297 1904 G CA 0.019 44.878 45.100 -0.402 0.000 0.886 1904 G HN -0.068 8.108 8.290 -0.190 0.000 0.493 1905 P HA 0.037 4.399 4.420 -0.096 0.000 0.229 1905 P C -1.131 176.093 177.300 -0.128 0.000 1.160 1905 P CA 0.959 63.978 63.100 -0.136 0.000 0.777 1905 P CB 0.584 32.246 31.700 -0.064 0.000 0.814 1906 S N -2.671 112.896 115.700 -0.221 0.000 2.671 1906 S HA 0.066 4.503 4.470 -0.054 0.000 0.277 1906 S C -1.916 172.589 174.600 -0.159 0.000 1.165 1906 S CA -0.677 57.455 58.200 -0.113 0.000 0.822 1906 S CB 1.140 64.356 63.200 0.027 0.000 1.150 1906 S HN -0.519 7.458 8.310 -0.430 0.075 0.479 1907 K N -0.743 119.664 120.400 0.012 0.000 2.313 1907 K HA 0.362 4.692 4.320 0.017 0.000 0.235 1907 K C -1.696 175.024 176.600 0.200 0.000 1.035 1907 K CA -1.482 54.843 56.287 0.063 0.000 0.868 1907 K CB 2.512 35.034 32.500 0.037 0.000 1.232 1907 K HN -0.013 8.267 8.250 0.049 0.000 0.459 1908 A N -1.181 121.758 122.820 0.198 0.000 2.564 1908 A HA 0.442 4.886 4.320 0.208 0.000 0.288 1908 A C -0.774 176.898 177.584 0.148 0.000 1.164 1908 A CA -0.838 51.338 52.037 0.232 0.000 0.712 1908 A CB 2.015 21.260 19.000 0.409 0.000 1.303 1908 A HN 0.272 8.505 8.150 0.138 0.000 0.418 1909 E N -1.720 118.563 120.200 0.137 0.000 2.472 1909 E HA -0.018 4.374 4.350 0.069 0.000 0.196 1909 E C 0.190 176.834 176.600 0.073 0.000 1.033 1909 E CA -0.132 56.319 56.400 0.085 0.000 0.886 1909 E CB 0.407 30.143 29.700 0.061 0.000 0.944 1909 E HN 0.319 8.774 8.360 0.159 0.000 0.492 1910 I N -1.044 119.587 120.570 0.102 0.000 3.074 1910 I HA -0.422 3.813 4.170 0.109 0.000 0.126 1910 I C -0.623 175.509 176.117 0.026 0.000 0.925 1910 I CA 0.447 61.787 61.300 0.066 0.000 2.772 1910 I CB -2.555 35.460 38.000 0.026 0.000 0.858 1910 I HN -0.322 7.903 8.210 0.155 0.077 0.349 1911 S N 2.309 118.024 115.700 0.025 0.000 2.655 1911 S HA 0.041 4.508 4.470 -0.005 0.000 0.265 1911 S C -0.774 173.803 174.600 -0.038 0.000 1.240 1911 S CA 0.287 58.484 58.200 -0.005 0.000 0.986 1911 S CB 1.554 64.751 63.200 -0.004 0.000 0.985 1911 S HN 0.259 8.600 8.310 0.053 0.000 0.562 1912 C N -1.208 118.066 119.300 -0.043 0.000 3.323 1912 C HA 1.059 5.611 4.460 -0.088 -0.145 0.324 1912 C C -1.220 173.741 174.990 -0.049 0.000 1.428 1912 C CA -2.087 56.893 59.018 -0.063 0.000 1.368 1912 C CB 4.383 32.084 27.740 -0.064 0.000 1.731 1912 C HN 0.059 8.271 8.230 -0.030 0.000 0.455 1913 T N 2.403 116.925 114.554 -0.053 0.000 2.921 1913 T HA 0.342 4.674 4.350 -0.031 0.000 0.297 1913 T C -1.157 173.524 174.700 -0.033 0.000 1.013 1913 T CA -0.492 61.585 62.100 -0.039 0.000 0.990 1913 T CB 3.416 72.259 68.868 -0.041 0.000 1.023 1913 T HN 0.270 8.468 8.240 -0.069 0.000 0.447 1914 D N 3.416 123.803 120.400 -0.022 0.000 2.123 1914 D HA -0.251 4.382 4.640 -0.012 0.000 0.200 1914 D C 0.370 176.663 176.300 -0.011 0.000 0.976 1914 D CA 2.663 56.655 54.000 -0.014 0.000 0.831 1914 D CB 0.415 41.210 40.800 -0.009 0.000 0.974 1914 D HN 0.211 8.569 8.370 -0.020 0.000 0.469 1915 N N -2.858 115.834 118.700 -0.012 0.000 4.978 1915 N HA -0.341 4.393 4.740 -0.009 0.000 0.303 1915 N C -0.766 174.742 175.510 -0.003 0.000 0.902 1915 N CA 1.201 54.246 53.050 -0.008 0.000 1.111 1915 N CB -0.148 38.334 38.487 -0.009 0.000 0.776 1915 N HN -0.225 8.147 8.380 -0.014 0.000 0.578 1916 Q N 0.233 120.034 119.800 0.000 0.000 2.149 1916 Q HA 0.047 4.389 4.340 0.003 0.000 0.221 1916 Q C -0.522 175.483 176.000 0.007 0.000 0.807 1916 Q CA 0.161 55.966 55.803 0.003 0.000 1.000 1916 Q CB 0.532 29.272 28.738 0.002 0.000 1.157 1916 Q HN 0.337 8.607 8.270 -0.000 0.000 0.487 1917 D N -0.968 119.438 120.400 0.009 0.000 2.369 1917 D HA 0.046 4.696 4.640 0.017 0.000 0.211 1917 D C 0.958 177.271 176.300 0.023 0.000 1.077 1917 D CA 0.360 54.370 54.000 0.017 0.000 0.842 1917 D CB 0.485 41.296 40.800 0.019 0.000 0.947 1917 D HN -0.138 8.174 8.370 0.006 0.063 0.509 1918 G N 0.529 109.340 108.800 0.019 0.000 2.175 1918 G HA2 -0.420 3.552 3.960 0.020 0.000 0.244 1918 G HA3 -0.420 3.556 3.960 0.027 0.000 0.244 1918 G C -0.578 174.340 174.900 0.030 0.000 0.982 1918 G CA 0.259 45.373 45.100 0.024 0.000 0.641 1918 G HN 0.408 8.654 8.290 0.013 0.052 0.527 1919 T N -3.914 110.655 114.554 0.026 0.000 2.788 1919 T HA 0.125 4.618 4.350 0.039 -0.119 0.287 1919 T C -1.268 173.434 174.700 0.003 0.000 1.007 1919 T CA -1.350 60.762 62.100 0.019 0.000 1.005 1919 T CB 1.465 70.331 68.868 -0.003 0.000 1.012 1919 T HN -0.800 7.387 8.240 0.020 0.065 0.530 1920 C N 2.012 121.306 119.300 -0.009 0.000 2.513 1920 C HA 0.140 4.588 4.460 -0.021 0.000 0.281 1920 C C -0.565 174.376 174.990 -0.081 0.000 1.501 1920 C CA -2.156 56.847 59.018 -0.025 0.000 1.749 1920 C CB -0.330 27.413 27.740 0.005 0.000 2.955 1920 C HN 0.023 8.138 8.230 -0.007 0.111 0.532 1921 S N 2.301 117.943 115.700 -0.096 0.000 3.298 1921 S HA -0.370 3.988 4.470 -0.185 0.000 0.389 1921 S C -0.505 173.975 174.600 -0.200 0.000 1.186 1921 S CA 1.303 59.414 58.200 -0.149 0.000 1.034 1921 S CB 0.207 63.344 63.200 -0.105 0.000 0.735 1921 S HN -0.541 7.651 8.310 -0.065 0.079 0.510 1922 V N 9.016 128.717 119.914 -0.355 0.000 2.481 1922 V HA 0.175 4.265 4.120 -0.269 -0.132 0.286 1922 V C -0.969 174.954 176.094 -0.286 0.000 1.042 1922 V CA -0.426 61.622 62.300 -0.420 0.000 0.928 1922 V CB 1.843 33.132 31.823 -0.891 0.000 0.986 1922 V HN -0.074 7.850 8.190 -0.445 0.000 0.462 1923 S N 6.449 122.077 115.700 -0.120 0.000 2.733 1923 S HA 0.718 5.307 4.470 -0.038 -0.143 0.294 1923 S C -1.452 173.202 174.600 0.089 0.000 1.149 1923 S CA -0.506 57.676 58.200 -0.030 0.000 1.034 1923 S CB 1.970 65.136 63.200 -0.057 0.000 1.015 1923 S HN 0.483 8.627 8.310 -0.107 0.102 0.486 1924 Y N 2.415 122.672 120.300 -0.071 0.000 2.665 1924 Y HA 0.684 5.223 4.550 -0.018 0.000 0.336 1924 Y C -2.699 173.188 175.900 -0.021 0.000 1.085 1924 Y CA -2.555 55.531 58.100 -0.023 0.000 1.096 1924 Y CB 2.831 41.303 38.460 0.020 0.000 1.301 1924 Y HN 0.966 9.223 8.280 -0.038 0.000 0.493 1925 L N 0.148 121.347 121.223 -0.041 0.000 2.529 1925 L HA 0.412 4.584 4.340 -0.279 0.000 0.260 1925 L C -2.217 174.632 176.870 -0.036 0.000 0.997 1925 L CA -3.021 51.742 54.840 -0.128 0.000 0.885 1925 L CB 3.325 45.355 42.059 -0.048 0.000 1.185 1925 L HN 0.169 8.518 8.230 0.200 0.000 0.442 1926 P HA 0.099 4.577 4.420 0.097 0.000 0.276 1926 P C -0.326 176.941 177.300 -0.055 0.000 1.253 1926 P CA -0.189 62.801 63.100 -0.183 0.000 0.766 1926 P CB 0.224 31.472 31.700 -0.752 0.000 0.845 1927 V N -2.742 117.225 119.914 0.088 0.000 3.578 1927 V HA 0.463 4.747 4.120 0.018 -0.154 0.290 1927 V C -0.563 175.581 176.094 0.082 0.000 1.376 1927 V CA -1.012 61.326 62.300 0.064 0.000 1.083 1927 V CB 0.998 32.861 31.823 0.067 0.000 0.911 1927 V HN 0.089 8.406 8.190 0.213 0.000 0.433 1928 L N 1.199 122.508 121.223 0.143 0.000 2.482 1928 L HA 0.616 5.004 4.340 0.079 0.000 0.263 1928 L C -2.577 174.400 176.870 0.178 0.000 0.957 1928 L CA -2.667 52.253 54.840 0.132 0.000 0.836 1928 L CB 3.913 46.047 42.059 0.125 0.000 1.324 1928 L HN -0.717 7.590 8.230 0.222 0.056 0.406 1929 P HA 0.000 4.451 4.420 0.051 0.000 0.265 1929 P C -1.018 176.386 177.300 0.173 0.000 1.193 1929 P CA -0.094 63.062 63.100 0.093 0.000 0.765 1929 P CB 0.145 31.870 31.700 0.041 0.000 0.823 1930 G N 3.189 112.119 108.800 0.216 0.000 2.342 1930 G HA2 0.066 4.105 3.960 0.132 0.000 0.297 1930 G HA3 0.066 4.202 3.960 0.294 0.000 0.297 1930 G C -2.958 172.109 174.900 0.279 0.000 1.313 1930 G CA -0.106 45.142 45.100 0.246 0.000 0.830 1930 G HN -0.313 8.058 8.290 0.134 0.000 0.506 1931 D N 1.457 121.971 120.400 0.189 0.000 2.524 1931 D HA 0.178 4.910 4.640 0.153 0.000 0.222 1931 D C -0.887 175.520 176.300 0.179 0.000 1.142 1931 D CA -0.062 54.029 54.000 0.152 0.000 0.973 1931 D CB -0.467 40.373 40.800 0.066 0.000 1.025 1931 D HN 0.148 8.583 8.370 0.108 0.000 0.519 1932 Y N 4.128 124.449 120.300 0.034 0.000 2.585 1932 Y HA 0.127 4.896 4.550 0.040 -0.195 0.354 1932 Y C -0.260 175.657 175.900 0.028 0.000 1.024 1932 Y CA -0.863 57.267 58.100 0.049 0.000 1.321 1932 Y CB -1.134 37.394 38.460 0.114 0.000 1.151 1932 Y HN 0.213 8.791 8.280 0.498 0.000 0.525 1933 S N 5.661 121.413 115.700 0.087 0.000 2.430 1933 S HA 0.161 4.864 4.470 0.075 -0.188 0.282 1933 S C -0.366 174.267 174.600 0.055 0.000 1.186 1933 S CA 0.550 58.784 58.200 0.056 0.000 1.060 1933 S CB 0.151 63.355 63.200 0.006 0.000 0.966 1933 S HN 0.064 8.281 8.310 0.009 0.099 0.501 1934 I N 7.331 127.947 120.570 0.077 0.000 2.471 1934 I HA -0.071 4.260 4.170 0.048 -0.131 0.286 1934 I C -0.802 175.398 176.117 0.139 0.000 1.079 1934 I CA -0.056 61.293 61.300 0.083 0.000 1.398 1934 I CB 0.217 38.230 38.000 0.022 0.000 1.403 1934 I HN 0.464 8.633 8.210 0.104 0.104 0.530 1935 L N 8.290 129.592 121.223 0.131 0.000 2.283 1935 L HA 0.275 4.687 4.340 0.119 0.000 0.281 1935 L C -1.743 175.287 176.870 0.267 0.000 1.033 1935 L CA -1.403 53.541 54.840 0.174 0.000 0.848 1935 L CB -1.410 40.754 42.059 0.174 0.000 1.226 1935 L HN 0.880 9.175 8.230 0.109 0.000 0.429 1936 V N 5.728 125.841 119.914 0.332 0.000 2.461 1936 V HA 0.100 4.372 4.120 0.254 0.000 0.275 1936 V C -0.209 176.072 176.094 0.312 0.000 1.047 1936 V CA -0.427 62.062 62.300 0.314 0.000 0.955 1936 V CB -0.102 31.931 31.823 0.349 0.000 0.988 1936 V HN -0.132 8.269 8.190 0.352 0.000 0.471 1937 K N 7.069 127.581 120.400 0.186 0.000 2.259 1937 K HA 0.576 5.076 4.320 0.073 -0.137 0.252 1937 K C -1.932 174.750 176.600 0.136 0.000 0.936 1937 K CA -1.446 54.886 56.287 0.075 0.000 0.810 1937 K CB 4.087 36.533 32.500 -0.090 0.000 1.143 1937 K HN 0.797 9.146 8.250 0.166 0.000 0.427 1938 Y N 2.798 123.111 120.300 0.021 0.000 2.326 1938 Y HA 0.052 4.621 4.550 0.032 0.000 0.329 1938 Y C -1.543 174.360 175.900 0.005 0.000 0.973 1938 Y CA -1.018 57.099 58.100 0.029 0.000 1.162 1938 Y CB 2.434 40.927 38.460 0.055 0.000 1.147 1938 Y HN 0.598 8.968 8.280 0.150 0.000 0.456 1939 N N 9.705 128.030 118.700 -0.625 0.000 2.629 1939 N HA -0.321 4.209 4.740 -0.349 0.000 0.278 1939 N C -0.972 174.437 175.510 -0.169 0.000 1.102 1939 N CA 0.644 53.468 53.050 -0.377 0.000 0.759 1939 N CB -0.663 37.592 38.487 -0.387 0.000 0.911 1939 N HN 0.770 8.681 8.380 -0.782 0.000 0.553 1940 E N -7.542 112.566 120.200 -0.153 0.000 3.870 1940 E HA -0.543 3.733 4.350 -0.124 0.000 0.329 1940 E C -1.079 175.434 176.600 -0.146 0.000 0.702 1940 E CA 1.996 58.322 56.400 -0.124 0.000 1.174 1940 E CB -1.545 28.101 29.700 -0.090 0.000 1.619 1940 E HN 0.527 8.782 8.360 -0.174 0.000 0.441 1941 Q N -3.397 116.321 119.800 -0.136 0.000 2.433 1941 Q HA 0.390 4.572 4.340 -0.263 0.000 0.279 1941 Q C -1.705 174.201 176.000 -0.155 0.000 1.105 1941 Q CA -1.825 53.884 55.803 -0.157 0.000 0.815 1941 Q CB 3.028 31.741 28.738 -0.040 0.000 1.403 1941 Q HN -0.764 7.336 8.270 -0.099 0.110 0.435 1942 H N -0.223 118.879 119.070 0.054 0.000 2.679 1942 H HA 0.217 4.990 4.556 0.085 -0.166 0.369 1942 H C 0.956 176.335 175.328 0.085 0.000 1.178 1942 H CA 1.328 57.416 56.048 0.066 0.000 1.419 1942 H CB 0.808 30.590 29.762 0.034 0.000 1.458 1942 H HN 0.278 8.492 8.280 -0.110 0.000 0.605 1943 V N 1.974 122.036 119.914 0.247 0.000 3.185 1943 V HA 0.035 4.258 4.120 0.172 0.000 0.305 1943 V C 0.094 176.255 176.094 0.111 0.000 1.090 1943 V CA -0.670 61.742 62.300 0.188 0.000 1.107 1943 V CB 0.581 32.548 31.823 0.239 0.000 1.061 1943 V HN 0.000 8.370 8.190 0.299 0.000 0.480 1944 P HA -0.023 4.409 4.420 0.021 0.000 0.222 1944 P C -0.121 177.166 177.300 -0.023 0.000 1.147 1944 P CA 1.626 64.741 63.100 0.026 0.000 0.790 1944 P CB 0.097 31.810 31.700 0.021 0.000 0.780 1945 G N -5.011 103.764 108.800 -0.041 0.000 3.192 1945 G HA2 0.206 4.052 3.960 -0.190 0.000 0.239 1945 G HA3 0.206 4.100 3.960 -0.111 0.000 0.239 1945 G C -0.575 173.944 174.900 -0.635 0.000 1.084 1945 G CA -0.660 44.312 45.100 -0.213 0.000 0.784 1945 G HN -0.204 8.045 8.290 0.045 0.068 0.540 1946 S N 1.539 116.996 115.700 -0.406 0.000 2.584 1946 S HA 0.066 4.035 4.470 -0.835 0.000 0.270 1946 S C -0.689 173.682 174.600 -0.382 0.000 1.346 1946 S CA -0.867 57.071 58.200 -0.437 0.000 1.018 1946 S CB 0.161 63.333 63.200 -0.048 0.000 0.899 1946 S HN -0.709 7.405 8.310 -0.134 0.115 0.542 1947 P HA 0.148 4.535 4.420 -0.178 -0.074 0.275 1947 P C -1.691 175.318 177.300 -0.485 0.000 1.266 1947 P CA 0.070 62.995 63.100 -0.293 0.000 0.793 1947 P CB 1.115 32.709 31.700 -0.176 0.000 1.074 1948 F N -2.687 117.218 119.950 -0.075 0.000 2.618 1948 F HA 0.203 4.693 4.527 -0.062 0.000 0.332 1948 F C -0.422 175.344 175.800 -0.056 0.000 1.061 1948 F CA -1.141 56.811 58.000 -0.079 0.000 0.974 1948 F CB 3.265 42.182 39.000 -0.138 0.000 1.310 1948 F HN 0.238 8.640 8.300 0.170 0.000 0.491 1949 T N 2.856 117.507 114.554 0.161 0.000 3.089 1949 T HA 0.231 4.807 4.350 0.110 -0.161 0.340 1949 T C -1.095 173.672 174.700 0.113 0.000 1.008 1949 T CA -0.126 62.039 62.100 0.109 0.000 1.096 1949 T CB 0.497 69.407 68.868 0.069 0.000 1.024 1949 T HN 0.198 8.555 8.240 0.196 0.000 0.477 1950 A N 7.213 130.110 122.820 0.128 0.000 2.475 1950 A HA 0.102 4.611 4.320 0.100 -0.129 0.293 1950 A C -1.607 176.023 177.584 0.076 0.000 1.252 1950 A CA -0.677 51.431 52.037 0.118 0.000 0.920 1950 A CB 0.152 19.260 19.000 0.180 0.000 1.125 1950 A HN 0.946 9.185 8.150 0.149 0.000 0.528 1951 R N 7.171 127.670 120.500 -0.003 0.000 2.441 1951 R HA 0.074 4.561 4.340 -0.005 -0.150 0.300 1951 R C -0.412 175.666 176.300 -0.371 0.000 1.284 1951 R CA -0.731 55.309 56.100 -0.100 0.000 1.069 1951 R CB -0.098 30.174 30.300 -0.047 0.000 1.087 1951 R HN -0.052 8.134 8.270 0.039 0.107 0.519 1952 V N 8.228 128.003 119.914 -0.232 0.000 2.450 1952 V HA -0.154 3.880 4.120 -0.359 -0.130 0.281 1952 V C -0.929 175.037 176.094 -0.213 0.000 1.019 1952 V CA 1.292 63.423 62.300 -0.281 0.000 1.062 1952 V CB -0.495 31.142 31.823 -0.311 0.000 0.979 1952 V HN 0.073 8.219 8.190 -0.073 0.000 0.477 1953 T N 9.340 123.755 114.554 -0.231 0.000 2.922 1953 T HA 0.184 4.499 4.350 -0.058 0.000 0.285 1953 T C -0.926 173.749 174.700 -0.042 0.000 1.005 1953 T CA -0.860 61.191 62.100 -0.082 0.000 1.061 1953 T CB 2.340 71.214 68.868 0.010 0.000 1.007 1953 T HN -0.005 8.055 8.240 -0.300 0.000 0.502 1954 G N 2.842 111.634 108.800 -0.013 0.000 2.509 1954 G HA2 0.144 4.093 3.960 -0.019 0.000 0.328 1954 G HA3 0.144 4.103 3.960 -0.001 0.000 0.328 1954 G C -1.536 173.365 174.900 0.002 0.000 1.194 1954 G CA -0.567 44.528 45.100 -0.007 0.000 0.967 1954 G HN 0.106 8.395 8.290 -0.002 0.000 0.488 1955 D N -2.246 118.153 120.400 -0.001 0.000 2.502 1955 D HA 0.079 4.722 4.640 0.005 0.000 0.232 1955 D C -0.706 175.595 176.300 0.002 0.000 1.137 1955 D CA 0.320 54.320 54.000 0.001 0.000 0.827 1955 D CB 0.608 41.405 40.800 -0.004 0.000 1.141 1955 D HN -0.119 8.248 8.370 -0.005 0.000 0.517 1956 D N 0.000 120.401 120.400 0.002 0.000 6.856 1956 D HA 0.000 4.642 4.640 0.004 0.000 0.175 1956 D CA 0.000 54.002 54.000 0.004 0.000 0.868 1956 D CB 0.000 40.801 40.800 0.002 0.000 0.688 1956 D HN 0.000 8.371 8.370 0.002 0.000 0.683