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 2fne_1_C DATA FIRST_RESID 1945 DATA SEQUENCE GTENLYFQSM PQCKSITLER GPDGLGFSIV GGYGSPHGDL PIYVKTVFAK DATA SEQUENCE GAASEDGRLK RGDQIIAVNG QSLEGVTHEE AVAILKRTKG TVTLMVLSSD DATA SEQUENCE ETSV 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 1945 G HA2 0.000 nan 3.960 nan 0.000 0.244 1945 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1945 G C 0.000 174.887 174.900 -0.021 0.000 0.946 1945 G CA 0.000 45.104 45.100 0.006 0.000 0.502 1946 T N 0.848 115.352 114.554 -0.083 0.000 3.624 1946 T HA 0.245 4.595 4.350 -0.001 0.000 0.231 1946 T C 1.174 175.633 174.700 -0.402 0.000 0.865 1946 T CA 0.627 62.615 62.100 -0.185 0.000 0.926 1946 T CB -0.642 68.130 68.868 -0.160 0.000 1.189 1946 T HN 0.441 nan 8.240 nan 0.000 0.640 1947 E N 0.393 120.387 120.200 -0.344 0.000 2.472 1947 E HA -0.096 4.254 4.350 -0.001 0.000 0.200 1947 E C 1.980 178.145 176.600 -0.724 0.000 1.046 1947 E CA 0.183 56.203 56.400 -0.633 0.000 0.871 1947 E CB 0.019 29.599 29.700 -0.200 0.000 0.806 1947 E HN 0.474 nan 8.360 nan 0.000 0.533 1948 N N 0.911 119.447 118.700 -0.273 0.000 2.137 1948 N HA -0.191 4.549 4.740 -0.001 0.000 0.190 1948 N C 1.826 177.254 175.510 -0.137 0.000 1.017 1948 N CA 1.126 54.163 53.050 -0.022 0.000 0.859 1948 N CB -0.079 38.435 38.487 0.046 0.000 1.002 1948 N HN 0.280 nan 8.380 nan 0.000 0.428 1949 L N -2.087 118.959 121.223 -0.296 0.000 2.083 1949 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 1949 L C 1.464 178.261 176.870 -0.121 0.000 1.083 1949 L CA 1.282 56.003 54.840 -0.197 0.000 0.752 1949 L CB -1.102 40.833 42.059 -0.208 0.000 0.899 1949 L HN 0.021 nan 8.230 nan 0.000 0.433 1950 Y N 0.030 120.126 120.300 -0.340 0.000 2.483 1950 Y HA -0.014 4.536 4.550 -0.001 0.000 0.291 1950 Y C 1.845 177.527 175.900 -0.364 0.000 1.143 1950 Y CA 0.195 58.054 58.100 -0.401 0.000 1.289 1950 Y CB -1.298 36.829 38.460 -0.555 0.000 0.983 1950 Y HN 0.215 nan 8.280 nan 0.000 0.556 1951 F N -0.234 119.783 119.950 0.113 0.000 2.727 1951 F HA 0.139 4.666 4.527 -0.001 0.000 0.302 1951 F C 0.642 176.464 175.800 0.037 0.000 1.097 1951 F CA -0.409 57.627 58.000 0.061 0.000 1.330 1951 F CB -0.175 38.845 39.000 0.034 0.000 1.084 1951 F HN -0.119 nan 8.300 nan 0.000 0.578 1952 Q N 1.673 121.561 119.800 0.147 0.000 2.286 1952 Q HA 0.099 4.439 4.340 -0.001 0.000 0.265 1952 Q C 0.522 176.571 176.000 0.081 0.000 1.080 1952 Q CA -0.277 55.582 55.803 0.094 0.000 0.906 1952 Q CB 1.084 29.855 28.738 0.056 0.000 1.227 1952 Q HN 0.132 nan 8.270 nan 0.000 0.409 1953 S N 3.658 119.402 115.700 0.074 0.000 2.558 1953 S HA 0.091 4.561 4.470 -0.001 0.000 0.288 1953 S C -0.041 174.584 174.600 0.042 0.000 1.318 1953 S CA -0.024 58.210 58.200 0.058 0.000 1.056 1953 S CB 0.311 63.539 63.200 0.047 0.000 0.853 1953 S HN 0.572 nan 8.310 nan 0.000 0.505 1954 M N 5.963 125.583 119.600 0.034 0.000 2.023 1954 M HA 0.348 4.828 4.480 -0.001 0.000 0.325 1954 M C -2.426 173.885 176.300 0.018 0.000 0.963 1954 M CA -1.994 53.320 55.300 0.023 0.000 0.928 1954 M CB 1.775 34.385 32.600 0.017 0.000 1.429 1954 M HN 0.485 nan 8.290 nan 0.000 0.404 1955 P HA 0.153 nan 4.420 nan 0.000 0.272 1955 P C -1.392 175.914 177.300 0.009 0.000 1.223 1955 P CA -0.337 62.773 63.100 0.017 0.000 0.784 1955 P CB 0.591 32.303 31.700 0.020 0.000 0.923 1956 Q N 1.105 120.909 119.800 0.006 0.000 2.263 1956 Q HA 0.393 4.732 4.340 -0.001 0.000 0.262 1956 Q C -1.653 174.346 176.000 -0.003 0.000 0.984 1956 Q CA -0.525 55.278 55.803 -0.000 0.000 0.813 1956 Q CB 0.987 29.723 28.738 -0.004 0.000 1.299 1956 Q HN 0.406 nan 8.270 nan 0.000 0.428 1957 C N 3.606 122.903 119.300 -0.004 0.000 2.536 1957 C HA 0.572 5.032 4.460 -0.001 0.000 0.396 1957 C C -0.236 174.747 174.990 -0.012 0.000 1.279 1957 C CA -0.175 58.839 59.018 -0.008 0.000 2.148 1957 C CB 0.089 27.825 27.740 -0.006 0.000 2.584 1957 C HN 0.745 nan 8.230 nan 0.000 0.579 1958 K N 1.288 121.678 120.400 -0.017 0.000 2.502 1958 K HA 0.459 4.779 4.320 -0.001 0.000 0.257 1958 K C -1.120 175.467 176.600 -0.022 0.000 0.938 1958 K CA -0.261 56.014 56.287 -0.021 0.000 0.819 1958 K CB 2.010 34.493 32.500 -0.028 0.000 1.333 1958 K HN 0.530 nan 8.250 nan 0.000 0.434 1959 S N 2.300 117.989 115.700 -0.019 0.000 2.566 1959 S HA 0.477 4.947 4.470 -0.001 0.000 0.324 1959 S C -0.659 173.929 174.600 -0.019 0.000 1.081 1959 S CA -0.613 57.576 58.200 -0.017 0.000 1.105 1959 S CB 0.144 63.338 63.200 -0.011 0.000 0.981 1959 S HN 0.356 nan 8.310 nan 0.000 0.464 1960 I N 3.552 124.107 120.570 -0.025 0.000 2.354 1960 I HA 0.265 4.435 4.170 -0.001 0.000 0.286 1960 I C 0.046 176.156 176.117 -0.011 0.000 1.007 1960 I CA -0.286 60.998 61.300 -0.027 0.000 1.167 1960 I CB 1.709 39.676 38.000 -0.055 0.000 1.320 1960 I HN 0.355 nan 8.210 nan 0.000 0.458 1961 T N 7.644 122.197 114.554 -0.002 0.000 2.767 1961 T HA 0.610 4.960 4.350 -0.001 0.000 0.288 1961 T C -0.170 174.542 174.700 0.019 0.000 0.963 1961 T CA -0.311 61.795 62.100 0.010 0.000 1.019 1961 T CB 0.689 69.562 68.868 0.009 0.000 0.923 1961 T HN 0.277 nan 8.240 nan 0.000 0.468 1962 L N 2.093 123.337 121.223 0.035 0.000 2.354 1962 L HA 0.541 4.881 4.340 -0.001 0.000 0.269 1962 L C 0.172 177.070 176.870 0.047 0.000 1.005 1962 L CA -1.083 53.786 54.840 0.049 0.000 0.819 1962 L CB 2.248 44.357 42.059 0.083 0.000 1.311 1962 L HN 0.390 nan 8.230 nan 0.000 0.423 1963 E N 1.041 121.267 120.200 0.043 0.000 2.156 1963 E HA 0.322 4.671 4.350 -0.001 0.000 0.279 1963 E C -0.615 176.012 176.600 0.045 0.000 0.965 1963 E CA -0.758 55.665 56.400 0.038 0.000 0.789 1963 E CB 1.599 31.316 29.700 0.028 0.000 1.098 1963 E HN 0.418 nan 8.360 nan 0.000 0.397 1964 R N 1.327 121.852 120.500 0.042 0.000 2.585 1964 R HA 0.305 4.645 4.340 -0.001 0.000 0.275 1964 R C 0.894 177.214 176.300 0.033 0.000 1.018 1964 R CA 0.245 56.370 56.100 0.040 0.000 1.072 1964 R CB 0.345 30.661 30.300 0.027 0.000 0.953 1964 R HN 0.613 nan 8.270 nan 0.000 0.419 1965 G N 2.689 111.511 108.800 0.037 0.000 2.537 1965 G HA2 0.241 4.201 3.960 -0.001 0.000 0.297 1965 G HA3 0.241 4.201 3.960 -0.001 0.000 0.297 1965 G C -1.552 173.358 174.900 0.016 0.000 1.310 1965 G CA -1.226 43.891 45.100 0.029 0.000 1.027 1965 G HN 0.335 nan 8.290 nan 0.000 0.505 1966 P HA -0.041 nan 4.420 nan 0.000 0.216 1966 P C 0.471 177.766 177.300 -0.008 0.000 1.153 1966 P CA 1.048 64.148 63.100 -0.000 0.000 0.858 1966 P CB 0.244 31.942 31.700 -0.003 0.000 0.789 1967 D N -0.841 119.554 120.400 -0.008 0.000 2.889 1967 D HA 0.288 4.928 4.640 -0.001 0.000 0.243 1967 D C 1.365 177.659 176.300 -0.011 0.000 1.270 1967 D CA 0.500 54.486 54.000 -0.024 0.000 0.838 1967 D CB -0.375 40.398 40.800 -0.045 0.000 1.040 1967 D HN 0.076 nan 8.370 nan 0.000 0.480 1968 G N 0.646 109.443 108.800 -0.005 0.000 2.550 1968 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.277 1968 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.277 1968 G C 0.890 175.806 174.900 0.027 0.000 1.190 1968 G CA 0.006 45.103 45.100 -0.006 0.000 0.971 1968 G HN 0.368 nan 8.290 nan 0.000 0.559 1969 L N 1.911 123.142 121.223 0.013 0.000 2.418 1969 L HA 0.372 4.711 4.340 -0.001 0.000 0.218 1969 L C 2.246 179.246 176.870 0.217 0.000 1.125 1969 L CA 1.086 55.995 54.840 0.115 0.000 0.835 1969 L CB -0.413 41.738 42.059 0.155 0.000 0.953 1969 L HN 2.127 nan 8.230 nan 0.000 0.454 1970 G N 0.801 109.702 108.800 0.167 0.000 2.204 1970 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.244 1970 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.244 1970 G C -0.125 175.056 174.900 0.468 0.000 1.062 1970 G CA 0.253 45.551 45.100 0.331 0.000 0.798 1970 G HN 0.376 nan 8.290 nan 0.000 0.496 1971 F N -1.414 118.665 119.950 0.216 0.000 2.686 1971 F HA 0.851 5.378 4.527 -0.000 0.000 0.311 1971 F C -0.171 175.671 175.800 0.070 0.000 1.128 1971 F CA -0.996 56.973 58.000 -0.051 0.000 0.946 1971 F CB 0.889 39.835 39.000 -0.090 0.000 1.336 1971 F HN 0.615 nan 8.300 nan 0.000 0.457 1972 S N 1.712 117.416 115.700 0.008 0.000 2.621 1972 S HA 0.894 5.364 4.470 -0.001 0.000 0.302 1972 S C -0.707 174.010 174.600 0.194 0.000 1.093 1972 S CA -0.582 57.667 58.200 0.083 0.000 1.017 1972 S CB 1.747 65.044 63.200 0.162 0.000 1.077 1972 S HN 1.115 nan 8.310 nan 0.000 0.517 1973 I N -0.381 120.291 120.570 0.171 0.000 2.785 1973 I HA 0.907 5.076 4.170 -0.001 0.000 0.302 1973 I C -0.669 175.634 176.117 0.311 0.000 1.069 1973 I CA -1.418 60.018 61.300 0.227 0.000 1.045 1973 I CB 2.069 40.161 38.000 0.153 0.000 1.236 1973 I HN 0.664 nan 8.210 nan 0.000 0.429 1974 V N 1.264 121.371 119.914 0.321 0.000 3.102 1974 V HA 1.097 5.217 4.120 -0.001 0.000 0.312 1974 V C 0.245 176.567 176.094 0.380 0.000 1.135 1974 V CA 0.054 62.578 62.300 0.373 0.000 1.022 1974 V CB 0.680 32.663 31.823 0.265 0.000 1.056 1974 V HN 1.790 nan 8.190 nan 0.000 0.436 1975 G N -0.336 108.697 108.800 0.388 0.000 2.549 1975 G HA2 0.570 4.529 3.960 -0.001 0.000 0.404 1975 G HA3 0.570 4.529 3.960 -0.001 0.000 0.404 1975 G C 0.341 175.415 174.900 0.291 0.000 1.292 1975 G CA -0.018 45.268 45.100 0.310 0.000 0.935 1975 G HN 3.194 nan 8.290 nan 0.000 0.512 1976 G N -2.351 106.554 108.800 0.175 0.000 2.428 1976 G HA2 0.492 4.451 3.960 -0.001 0.000 0.681 1976 G HA3 0.492 4.451 3.960 -0.001 0.000 0.681 1976 G C -0.541 174.459 174.900 0.166 0.000 1.340 1976 G CA 0.171 45.372 45.100 0.168 0.000 0.915 1976 G HN 2.205 nan 8.290 nan 0.000 0.645 1977 Y N 1.346 121.679 120.300 0.055 0.000 2.620 1977 Y HA 0.359 4.908 4.550 -0.001 0.000 0.330 1977 Y C 1.556 177.487 175.900 0.052 0.000 1.186 1977 Y CA 1.693 59.821 58.100 0.046 0.000 1.467 1977 Y CB 0.807 39.285 38.460 0.030 0.000 1.262 1977 Y HN 2.432 nan 8.280 nan 0.000 0.550 1978 G N 3.853 112.308 108.800 -0.576 0.000 2.225 1978 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.267 1978 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.267 1978 G C 0.198 175.013 174.900 -0.142 0.000 1.024 1978 G CA 0.469 45.329 45.100 -0.400 0.000 0.784 1978 G HN 1.147 nan 8.290 nan 0.000 0.507 1979 S N -0.586 115.076 115.700 -0.064 0.000 2.614 1979 S HA 0.603 5.073 4.470 -0.001 0.000 0.265 1979 S C -0.436 174.123 174.600 -0.068 0.000 1.303 1979 S CA -0.484 57.703 58.200 -0.022 0.000 1.000 1979 S CB 1.779 65.021 63.200 0.069 0.000 0.935 1979 S HN -0.030 nan 8.310 nan 0.000 0.551 1980 P HA -0.112 nan 4.420 nan 0.000 0.218 1980 P C 0.836 178.005 177.300 -0.219 0.000 1.146 1980 P CA 1.279 64.256 63.100 -0.205 0.000 0.813 1980 P CB -0.115 31.404 31.700 -0.301 0.000 0.778 1981 H N -1.538 117.522 119.070 -0.017 0.000 2.539 1981 H HA 0.307 4.862 4.556 -0.001 0.000 0.267 1981 H C 1.432 176.760 175.328 0.000 0.000 0.982 1981 H CA 1.133 57.181 56.048 -0.000 0.000 1.146 1981 H CB -0.102 29.675 29.762 0.024 0.000 1.382 1981 H HN 0.122 nan 8.280 nan 0.000 0.577 1982 G N 0.771 109.610 108.800 0.064 0.000 2.483 1982 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.521 1982 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.521 1982 G C -1.272 173.632 174.900 0.008 0.000 1.278 1982 G CA -0.765 44.346 45.100 0.017 0.000 0.965 1982 G HN 0.180 nan 8.290 nan 0.000 0.504 1983 D N 1.411 121.800 120.400 -0.017 0.000 2.402 1983 D HA 0.445 5.084 4.640 -0.001 0.000 0.235 1983 D C 0.592 176.948 176.300 0.093 0.000 1.226 1983 D CA 0.568 54.568 54.000 -0.001 0.000 0.918 1983 D CB 0.393 41.187 40.800 -0.010 0.000 1.043 1983 D HN 0.436 nan 8.370 nan 0.000 0.506 1984 L N 2.664 123.958 121.223 0.117 0.000 2.319 1984 L HA 0.473 4.813 4.340 -0.001 0.000 0.267 1984 L C -2.186 174.718 176.870 0.057 0.000 1.011 1984 L CA -2.175 52.749 54.840 0.141 0.000 0.818 1984 L CB 1.888 44.087 42.059 0.233 0.000 1.316 1984 L HN -0.027 nan 8.230 nan 0.000 0.432 1985 P HA 0.100 nan 4.420 nan 0.000 0.275 1985 P C -0.870 176.212 177.300 -0.364 0.000 1.270 1985 P CA -0.343 62.599 63.100 -0.263 0.000 0.791 1985 P CB 0.420 31.836 31.700 -0.474 0.000 1.089 1986 I N 0.933 121.313 120.570 -0.317 0.000 2.337 1986 I HA 0.192 4.362 4.170 -0.001 0.000 0.291 1986 I C -0.072 175.850 176.117 -0.324 0.000 1.046 1986 I CA -0.310 60.869 61.300 -0.202 0.000 1.324 1986 I CB -1.123 36.827 38.000 -0.085 0.000 1.409 1986 I HN 0.323 nan 8.210 nan 0.000 0.494 1987 Y N 4.501 124.846 120.300 0.075 0.000 2.409 1987 Y HA 0.393 4.943 4.550 -0.001 0.000 0.339 1987 Y C 0.451 176.397 175.900 0.078 0.000 1.033 1987 Y CA -1.095 57.035 58.100 0.051 0.000 1.094 1987 Y CB 1.822 40.300 38.460 0.030 0.000 1.210 1987 Y HN 0.186 nan 8.280 nan 0.000 0.456 1988 V N 4.057 124.101 119.914 0.217 0.000 2.521 1988 V HA -0.019 4.101 4.120 -0.001 0.000 0.286 1988 V C 0.731 176.898 176.094 0.123 0.000 1.034 1988 V CA 0.182 62.574 62.300 0.152 0.000 1.045 1988 V CB 1.064 32.863 31.823 -0.041 0.000 0.974 1988 V HN 0.882 nan 8.190 nan 0.000 0.480 1989 K N 3.544 124.015 120.400 0.119 0.000 2.157 1989 K HA 0.149 4.469 4.320 -0.001 0.000 0.207 1989 K C 0.442 177.022 176.600 -0.034 0.000 1.030 1989 K CA 0.567 56.881 56.287 0.046 0.000 0.965 1989 K CB 0.480 33.023 32.500 0.071 0.000 0.877 1989 K HN 0.680 nan 8.250 nan 0.000 0.460 1990 T N 1.100 115.585 114.554 -0.114 0.000 2.861 1990 T HA 0.425 4.775 4.350 -0.001 0.000 0.287 1990 T C -1.430 172.983 174.700 -0.479 0.000 1.003 1990 T CA -0.716 61.206 62.100 -0.298 0.000 0.977 1990 T CB 2.093 70.729 68.868 -0.387 0.000 0.996 1990 T HN -0.082 nan 8.240 nan 0.000 0.448 1991 V N 4.308 124.016 119.914 -0.343 0.000 2.347 1991 V HA 0.469 4.589 4.120 -0.001 0.000 0.280 1991 V C -0.724 175.241 176.094 -0.215 0.000 1.021 1991 V CA -0.772 61.386 62.300 -0.237 0.000 0.847 1991 V CB 0.358 32.129 31.823 -0.086 0.000 0.990 1991 V HN 0.731 nan 8.190 nan 0.000 0.444 1992 F N 2.899 122.912 119.950 0.104 0.000 2.384 1992 F HA 0.636 5.163 4.527 -0.000 0.000 0.338 1992 F C 0.953 176.785 175.800 0.053 0.000 1.103 1992 F CA -0.597 57.444 58.000 0.067 0.000 1.157 1992 F CB 0.855 39.890 39.000 0.058 0.000 1.167 1992 F HN 0.551 nan 8.300 nan 0.000 0.529 1993 A N 2.322 125.289 122.820 0.245 0.000 2.531 1993 A HA 0.443 4.762 4.320 -0.001 0.000 0.236 1993 A C 1.084 178.743 177.584 0.126 0.000 1.062 1993 A CA 0.520 52.641 52.037 0.141 0.000 0.760 1993 A CB -0.432 18.629 19.000 0.103 0.000 0.995 1993 A HN 1.504 nan 8.150 nan 0.000 0.501 1994 K N 0.230 120.685 120.400 0.091 0.000 3.587 1994 K HA -0.122 4.198 4.320 -0.001 0.000 0.294 1994 K C 1.488 178.136 176.600 0.080 0.000 1.279 1994 K CA 2.394 58.723 56.287 0.070 0.000 1.004 1994 K CB -2.317 30.213 32.500 0.051 0.000 1.276 1994 K HN 2.632 nan 8.250 nan 0.000 0.459 1995 G N -1.870 107.002 108.800 0.120 0.000 2.580 1995 G HA2 0.690 4.650 3.960 -0.001 0.000 0.278 1995 G HA3 0.690 4.650 3.960 -0.001 0.000 0.278 1995 G C 1.519 176.488 174.900 0.115 0.000 1.212 1995 G CA 0.305 45.484 45.100 0.131 0.000 0.939 1995 G HN 1.345 nan 8.290 nan 0.000 0.513 1996 A N 0.212 123.102 122.820 0.116 0.000 1.877 1996 A HA 0.136 4.455 4.320 -0.001 0.000 0.216 1996 A C 2.754 180.397 177.584 0.099 0.000 1.186 1996 A CA 2.567 54.662 52.037 0.097 0.000 0.620 1996 A CB -0.930 18.128 19.000 0.096 0.000 0.822 1996 A HN 1.300 nan 8.150 nan 0.000 0.443 1997 A N -0.760 122.147 122.820 0.145 0.000 1.908 1997 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 1997 A C 2.504 180.119 177.584 0.051 0.000 1.181 1997 A CA 2.328 54.424 52.037 0.098 0.000 0.627 1997 A CB -1.054 18.036 19.000 0.150 0.000 0.818 1997 A HN 0.594 nan 8.150 nan 0.000 0.445 1998 S N -0.570 115.176 115.700 0.077 0.000 2.356 1998 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 1998 S C 2.022 176.645 174.600 0.039 0.000 1.032 1998 S CA 1.815 60.046 58.200 0.052 0.000 1.005 1998 S CB -0.359 62.886 63.200 0.075 0.000 0.867 1998 S HN 0.622 nan 8.310 nan 0.000 0.449 1999 E N 0.244 120.472 120.200 0.047 0.000 2.110 1999 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 1999 E C 1.744 178.358 176.600 0.023 0.000 0.988 1999 E CA 1.237 57.658 56.400 0.035 0.000 0.804 1999 E CB -0.884 28.839 29.700 0.039 0.000 0.745 1999 E HN 0.897 nan 8.360 nan 0.000 0.458 2000 D N -1.242 119.172 120.400 0.023 0.000 2.144 2000 D HA -0.065 4.575 4.640 -0.001 0.000 0.200 2000 D C 1.601 177.900 176.300 -0.000 0.000 0.978 2000 D CA 1.869 55.875 54.000 0.010 0.000 0.833 2000 D CB -0.184 40.621 40.800 0.008 0.000 0.961 2000 D HN 0.381 nan 8.370 nan 0.000 0.470 2001 G N -0.439 108.359 108.800 -0.003 0.000 2.199 2001 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.254 2001 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.254 2001 G C 1.332 176.218 174.900 -0.023 0.000 0.982 2001 G CA 0.516 45.611 45.100 -0.010 0.000 0.632 2001 G HN 0.390 nan 8.290 nan 0.000 0.529 2002 R N -0.991 119.488 120.500 -0.034 0.000 2.074 2002 R HA 0.374 4.714 4.340 -0.001 0.000 0.218 2002 R C 1.320 177.579 176.300 -0.069 0.000 1.137 2002 R CA 0.224 56.297 56.100 -0.045 0.000 0.998 2002 R CB -0.094 30.180 30.300 -0.043 0.000 0.895 2002 R HN 0.345 nan 8.270 nan 0.000 0.442 2003 L N 2.691 123.853 121.223 -0.103 0.000 2.514 2003 L HA -0.032 4.308 4.340 -0.001 0.000 0.280 2003 L C -0.104 176.687 176.870 -0.132 0.000 1.223 2003 L CA 1.089 55.831 54.840 -0.163 0.000 0.864 2003 L CB 0.279 42.165 42.059 -0.288 0.000 1.118 2003 L HN 0.146 nan 8.230 nan 0.000 0.494 2004 K N 3.746 124.070 120.400 -0.126 0.000 2.556 2004 K HA 0.426 4.746 4.320 -0.001 0.000 0.274 2004 K C -0.884 175.670 176.600 -0.077 0.000 0.966 2004 K CA -1.143 55.091 56.287 -0.088 0.000 0.865 2004 K CB 0.881 33.346 32.500 -0.058 0.000 1.444 2004 K HN 0.496 nan 8.250 nan 0.000 0.433 2005 R N 0.291 120.754 120.500 -0.062 0.000 2.523 2005 R HA 0.023 4.362 4.340 -0.001 0.000 0.281 2005 R C 0.750 177.028 176.300 -0.036 0.000 0.969 2005 R CA 2.453 58.525 56.100 -0.046 0.000 1.093 2005 R CB -0.508 29.762 30.300 -0.051 0.000 0.917 2005 R HN 1.006 nan 8.270 nan 0.000 0.408 2006 G N 2.817 111.609 108.800 -0.014 0.000 2.234 2006 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.235 2006 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.235 2006 G C -0.344 174.626 174.900 0.115 0.000 0.997 2006 G CA 0.149 45.238 45.100 -0.019 0.000 0.623 2006 G HN 0.703 nan 8.290 nan 0.000 0.514 2007 D N 1.086 121.527 120.400 0.069 0.000 2.525 2007 D HA 0.344 4.983 4.640 -0.001 0.000 0.235 2007 D C 0.629 177.010 176.300 0.135 0.000 1.137 2007 D CA 0.597 54.634 54.000 0.061 0.000 0.868 2007 D CB 0.712 41.487 40.800 -0.042 0.000 1.180 2007 D HN 0.580 nan 8.370 nan 0.000 0.465 2008 Q N 2.241 122.092 119.800 0.085 0.000 2.314 2008 Q HA 0.273 4.613 4.340 -0.001 0.000 0.259 2008 Q C -0.822 175.140 176.000 -0.064 0.000 0.951 2008 Q CA -0.837 54.944 55.803 -0.037 0.000 0.909 2008 Q CB 0.777 29.476 28.738 -0.064 0.000 1.236 2008 Q HN 0.300 nan 8.270 nan 0.000 0.444 2009 I N 6.263 126.785 120.570 -0.080 0.000 2.379 2009 I HA -0.007 4.162 4.170 -0.001 0.000 0.290 2009 I C 0.938 177.023 176.117 -0.053 0.000 1.063 2009 I CA -0.024 61.247 61.300 -0.048 0.000 1.351 2009 I CB 0.319 38.319 38.000 0.001 0.000 1.410 2009 I HN 0.788 nan 8.210 nan 0.000 0.505 2010 I N 4.411 124.958 120.570 -0.039 0.000 2.585 2010 I HA 0.172 4.342 4.170 -0.001 0.000 0.254 2010 I C 1.077 177.180 176.117 -0.023 0.000 1.129 2010 I CA 0.629 61.909 61.300 -0.034 0.000 1.455 2010 I CB -0.505 37.479 38.000 -0.026 0.000 1.111 2010 I HN 0.621 nan 8.210 nan 0.000 0.433 2011 A N 0.110 122.922 122.820 -0.014 0.000 2.594 2011 A HA 0.695 5.015 4.320 -0.001 0.000 0.295 2011 A C -1.350 176.237 177.584 0.004 0.000 1.071 2011 A CA -0.385 51.648 52.037 -0.007 0.000 0.685 2011 A CB 1.807 20.802 19.000 -0.008 0.000 1.285 2011 A HN -0.181 nan 8.150 nan 0.000 0.405 2012 V N 2.718 122.637 119.914 0.009 0.000 2.409 2012 V HA 0.350 4.470 4.120 -0.001 0.000 0.290 2012 V C -0.199 175.903 176.094 0.014 0.000 1.017 2012 V CA -0.751 61.561 62.300 0.021 0.000 0.841 2012 V CB 1.108 32.949 31.823 0.029 0.000 1.003 2012 V HN 0.940 nan 8.190 nan 0.000 0.426 2013 N N 4.103 122.812 118.700 0.015 0.000 2.716 2013 N HA -0.234 4.506 4.740 -0.001 0.000 0.250 2013 N C 1.282 176.795 175.510 0.005 0.000 1.033 2013 N CA 1.605 54.661 53.050 0.010 0.000 0.727 2013 N CB -0.991 37.502 38.487 0.011 0.000 0.950 2013 N HN 1.541 nan 8.380 nan 0.000 0.541 2014 G N -1.224 107.577 108.800 0.002 0.000 2.179 2014 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.260 2014 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.260 2014 G C -0.088 174.810 174.900 -0.003 0.000 0.977 2014 G CA 0.574 45.674 45.100 -0.001 0.000 0.641 2014 G HN 0.570 nan 8.290 nan 0.000 0.533 2015 Q N 1.019 120.818 119.800 -0.002 0.000 2.314 2015 Q HA 0.540 4.880 4.340 -0.001 0.000 0.257 2015 Q C 0.436 176.431 176.000 -0.007 0.000 0.975 2015 Q CA 0.112 55.913 55.803 -0.005 0.000 0.933 2015 Q CB 1.522 30.258 28.738 -0.003 0.000 1.195 2015 Q HN 0.231 nan 8.270 nan 0.000 0.426 2016 S N 2.780 118.474 115.700 -0.011 0.000 2.549 2016 S HA 0.094 4.563 4.470 -0.001 0.000 0.286 2016 S C 0.655 175.245 174.600 -0.018 0.000 1.314 2016 S CA -0.347 57.844 58.200 -0.015 0.000 1.062 2016 S CB 0.308 63.497 63.200 -0.018 0.000 0.865 2016 S HN 0.645 nan 8.310 nan 0.000 0.498 2017 L N 3.447 124.658 121.223 -0.021 0.000 2.685 2017 L HA 0.287 4.627 4.340 -0.001 0.000 0.233 2017 L C 1.118 177.970 176.870 -0.030 0.000 1.173 2017 L CA 0.014 54.839 54.840 -0.025 0.000 0.961 2017 L CB -0.309 41.733 42.059 -0.028 0.000 1.217 2017 L HN 0.705 nan 8.230 nan 0.000 0.478 2018 E N 1.415 121.597 120.200 -0.030 0.000 2.406 2018 E HA 0.086 4.436 4.350 -0.001 0.000 0.258 2018 E C 1.083 177.662 176.600 -0.036 0.000 1.043 2018 E CA 0.701 57.082 56.400 -0.031 0.000 0.929 2018 E CB 0.384 30.067 29.700 -0.029 0.000 0.969 2018 E HN 0.419 nan 8.360 nan 0.000 0.462 2019 G N 2.985 111.770 108.800 -0.025 0.000 2.155 2019 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.257 2019 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.257 2019 G C 0.355 175.233 174.900 -0.037 0.000 0.983 2019 G CA 0.358 45.436 45.100 -0.038 0.000 0.676 2019 G HN 0.745 nan 8.290 nan 0.000 0.528 2020 V N -0.827 119.088 119.914 0.001 0.000 3.003 2020 V HA 0.821 4.941 4.120 -0.001 0.000 0.305 2020 V C 1.051 177.206 176.094 0.102 0.000 1.078 2020 V CA 0.183 62.495 62.300 0.021 0.000 1.083 2020 V CB 1.020 32.844 31.823 0.002 0.000 1.039 2020 V HN 1.149 nan 8.190 nan 0.000 0.481 2021 T N -0.191 114.436 114.554 0.122 0.000 2.788 2021 T HA 0.183 4.532 4.350 -0.001 0.000 0.287 2021 T C 0.936 175.716 174.700 0.134 0.000 1.007 2021 T CA 0.934 63.139 62.100 0.175 0.000 1.005 2021 T CB 0.387 69.358 68.868 0.171 0.000 1.012 2021 T HN 0.942 nan 8.240 nan 0.000 0.530 2022 H N 0.436 119.548 119.070 0.071 0.000 2.319 2022 H HA -0.107 4.449 4.556 -0.001 0.000 0.299 2022 H C 2.419 177.772 175.328 0.043 0.000 1.092 2022 H CA 2.897 58.978 56.048 0.055 0.000 1.302 2022 H CB -0.242 29.552 29.762 0.052 0.000 1.373 2022 H HN 0.781 nan 8.280 nan 0.000 0.497 2023 E N 0.036 120.329 120.200 0.156 0.000 2.150 2023 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 2023 E C 1.966 178.577 176.600 0.019 0.000 0.985 2023 E CA 1.287 57.737 56.400 0.085 0.000 0.814 2023 E CB -0.538 29.217 29.700 0.092 0.000 0.752 2023 E HN 0.820 nan 8.360 nan 0.000 0.466 2024 E N 0.796 121.011 120.200 0.024 0.000 2.077 2024 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 2024 E C 2.363 178.948 176.600 -0.024 0.000 0.989 2024 E CA 1.189 57.592 56.400 0.004 0.000 0.800 2024 E CB -0.382 29.327 29.700 0.015 0.000 0.746 2024 E HN 0.575 nan 8.360 nan 0.000 0.452 2025 A N 0.855 123.644 122.820 -0.053 0.000 1.877 2025 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 2025 A C 2.506 180.031 177.584 -0.099 0.000 1.186 2025 A CA 1.241 53.229 52.037 -0.081 0.000 0.620 2025 A CB -0.726 18.200 19.000 -0.124 0.000 0.822 2025 A HN 0.118 nan 8.150 nan 0.000 0.443 2026 V N 0.014 119.841 119.914 -0.144 0.000 2.287 2026 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 2026 V C 3.079 179.139 176.094 -0.058 0.000 1.053 2026 V CA 2.035 64.266 62.300 -0.114 0.000 1.027 2026 V CB -1.414 30.354 31.823 -0.091 0.000 0.646 2026 V HN 0.637 nan 8.190 nan 0.000 0.447 2027 A N 0.116 122.914 122.820 -0.036 0.000 1.873 2027 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 2027 A C 2.180 179.752 177.584 -0.019 0.000 1.193 2027 A CA 2.451 54.476 52.037 -0.019 0.000 0.629 2027 A CB -0.694 18.301 19.000 -0.009 0.000 0.826 2027 A HN 0.514 nan 8.150 nan 0.000 0.447 2028 I N -0.657 119.900 120.570 -0.020 0.000 2.163 2028 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 2028 I C 2.436 178.547 176.117 -0.011 0.000 1.085 2028 I CA 1.379 62.672 61.300 -0.013 0.000 1.347 2028 I CB -0.318 37.675 38.000 -0.011 0.000 1.044 2028 I HN 0.291 nan 8.210 nan 0.000 0.408 2029 L N 0.120 121.330 121.223 -0.020 0.000 2.093 2029 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 2029 L C 2.485 179.337 176.870 -0.030 0.000 1.085 2029 L CA 1.184 56.013 54.840 -0.019 0.000 0.755 2029 L CB -0.337 41.696 42.059 -0.044 0.000 0.904 2029 L HN 0.125 nan 8.230 nan 0.000 0.435 2030 K N 0.639 121.018 120.400 -0.036 0.000 2.116 2030 K HA -0.120 4.199 4.320 -0.001 0.000 0.203 2030 K C 2.039 178.629 176.600 -0.017 0.000 1.052 2030 K CA 0.869 57.137 56.287 -0.032 0.000 0.952 2030 K CB 0.100 32.582 32.500 -0.031 0.000 0.729 2030 K HN 0.248 nan 8.250 nan 0.000 0.446 2031 R N 0.096 120.589 120.500 -0.012 0.000 2.317 2031 R HA 0.070 4.410 4.340 -0.001 0.000 0.208 2031 R C -0.404 175.895 176.300 -0.002 0.000 0.914 2031 R CA 0.309 56.405 56.100 -0.006 0.000 1.060 2031 R CB -0.324 29.973 30.300 -0.006 0.000 1.015 2031 R HN 0.020 nan 8.270 nan 0.000 0.498 2032 T N -0.741 113.814 114.554 0.001 0.000 2.869 2032 T HA 0.303 4.653 4.350 -0.001 0.000 0.295 2032 T C -0.487 174.218 174.700 0.008 0.000 0.987 2032 T CA -0.752 61.352 62.100 0.007 0.000 1.109 2032 T CB 1.860 70.737 68.868 0.014 0.000 0.932 2032 T HN -0.044 nan 8.240 nan 0.000 0.518 2033 K N 1.792 122.198 120.400 0.009 0.000 2.270 2033 K HA 0.802 5.122 4.320 -0.001 0.000 0.255 2033 K C 0.991 177.598 176.600 0.012 0.000 0.936 2033 K CA -0.236 56.056 56.287 0.009 0.000 0.809 2033 K CB 0.985 33.489 32.500 0.006 0.000 1.131 2033 K HN 1.423 nan 8.250 nan 0.000 0.427 2034 G N 1.295 110.103 108.800 0.014 0.000 2.650 2034 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.264 2034 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.264 2034 G C 0.063 174.975 174.900 0.020 0.000 1.263 2034 G CA 0.034 45.143 45.100 0.015 0.000 0.960 2034 G HN 0.806 nan 8.290 nan 0.000 0.548 2035 T N 1.447 116.012 114.554 0.019 0.000 2.780 2035 T HA 0.542 4.891 4.350 -0.001 0.000 0.294 2035 T C 0.010 174.725 174.700 0.025 0.000 0.949 2035 T CA 0.169 62.282 62.100 0.022 0.000 1.074 2035 T CB 1.527 70.405 68.868 0.017 0.000 0.910 2035 T HN 0.961 nan 8.240 nan 0.000 0.501 2036 V N 4.082 124.016 119.914 0.034 0.000 2.487 2036 V HA 0.413 4.533 4.120 -0.001 0.000 0.298 2036 V C 0.244 176.360 176.094 0.037 0.000 1.028 2036 V CA -0.873 61.451 62.300 0.040 0.000 0.860 2036 V CB 1.982 33.841 31.823 0.060 0.000 0.991 2036 V HN 0.903 nan 8.190 nan 0.000 0.427 2037 T N 6.629 121.199 114.554 0.027 0.000 2.743 2037 T HA 0.586 4.935 4.350 -0.001 0.000 0.292 2037 T C -0.272 174.438 174.700 0.017 0.000 0.972 2037 T CA -0.219 61.891 62.100 0.017 0.000 0.967 2037 T CB 0.483 69.357 68.868 0.010 0.000 0.926 2037 T HN 0.370 nan 8.240 nan 0.000 0.459 2038 L N 3.969 125.198 121.223 0.009 0.000 2.265 2038 L HA 0.512 4.852 4.340 -0.001 0.000 0.289 2038 L C 0.258 177.118 176.870 -0.018 0.000 1.033 2038 L CA -0.562 54.277 54.840 -0.001 0.000 0.814 2038 L CB 1.190 43.236 42.059 -0.021 0.000 1.203 2038 L HN 0.495 nan 8.230 nan 0.000 0.423 2039 M N 5.948 125.540 119.600 -0.014 0.000 2.120 2039 M HA 0.478 4.957 4.480 -0.001 0.000 0.354 2039 M C -0.761 175.522 176.300 -0.027 0.000 1.287 2039 M CA -0.500 54.788 55.300 -0.019 0.000 1.103 2039 M CB 0.865 33.457 32.600 -0.013 0.000 1.623 2039 M HN 0.481 nan 8.290 nan 0.000 0.471 2040 V N 4.333 124.227 119.914 -0.033 0.000 2.841 2040 V HA 0.640 4.760 4.120 -0.001 0.000 0.310 2040 V C -1.602 174.477 176.094 -0.025 0.000 1.090 2040 V CA -1.142 61.134 62.300 -0.039 0.000 0.930 2040 V CB 1.921 33.704 31.823 -0.066 0.000 1.014 2040 V HN 0.824 nan 8.190 nan 0.000 0.425 2041 L N 3.775 124.989 121.223 -0.015 0.000 2.265 2041 L HA 0.822 5.162 4.340 -0.001 0.000 0.289 2041 L C 0.127 177.005 176.870 0.014 0.000 1.033 2041 L CA 0.750 55.591 54.840 0.002 0.000 0.814 2041 L CB 0.861 42.926 42.059 0.010 0.000 1.203 2041 L HN 1.092 nan 8.230 nan 0.000 0.423 2042 S N 2.989 118.693 115.700 0.007 0.000 2.751 2042 S HA 0.896 5.366 4.470 -0.001 0.000 0.310 2042 S C -0.646 173.962 174.600 0.013 0.000 1.128 2042 S CA -0.072 58.133 58.200 0.008 0.000 0.931 2042 S CB 1.490 64.683 63.200 -0.012 0.000 1.177 2042 S HN 0.908 nan 8.310 nan 0.000 0.530 2043 S N -0.361 115.345 115.700 0.011 0.000 2.661 2043 S HA 0.382 4.852 4.470 -0.001 0.000 0.285 2043 S C 0.423 175.028 174.600 0.008 0.000 1.138 2043 S CA -0.149 58.060 58.200 0.014 0.000 0.855 2043 S CB 1.250 64.463 63.200 0.021 0.000 1.136 2043 S HN 0.844 nan 8.310 nan 0.000 0.484 2044 D N 0.665 121.073 120.400 0.013 0.000 2.144 2044 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 2044 D C 0.644 176.952 176.300 0.013 0.000 0.978 2044 D CA 0.612 54.617 54.000 0.009 0.000 0.833 2044 D CB -0.639 40.167 40.800 0.009 0.000 0.961 2044 D HN 0.798 nan 8.370 nan 0.000 0.470 2045 E N 0.592 120.808 120.200 0.026 0.000 2.413 2045 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 2045 E C -0.883 175.721 176.600 0.007 0.000 1.015 2045 E CA 0.239 56.656 56.400 0.029 0.000 0.916 2045 E CB 0.541 30.264 29.700 0.039 0.000 0.947 2045 E HN -0.080 nan 8.360 nan 0.000 0.440 2046 T N 3.203 117.760 114.554 0.005 0.000 2.879 2046 T HA 0.232 4.582 4.350 -0.001 0.000 0.290 2046 T C -0.886 173.808 174.700 -0.011 0.000 0.993 2046 T CA -0.739 61.356 62.100 -0.008 0.000 0.975 2046 T CB 1.667 70.529 68.868 -0.009 0.000 0.981 2046 T HN 0.387 nan 8.240 nan 0.000 0.439 2047 S N 2.280 117.967 115.700 -0.022 0.000 2.548 2047 S HA 0.554 5.024 4.470 -0.001 0.000 0.277 2047 S C 0.526 175.114 174.600 -0.020 0.000 1.315 2047 S CA -0.716 57.469 58.200 -0.025 0.000 1.050 2047 S CB 0.534 63.712 63.200 -0.037 0.000 0.918 2047 S HN 0.696 nan 8.310 nan 0.000 0.497 2048 V N 0.000 119.905 119.914 -0.015 0.000 2.409 2048 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 2048 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 2048 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 2048 V HN 0.000 nan 8.190 nan 0.000 0.556