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 3c4s_1_B DATA FIRST_RESID 2 DATA SEQUENCE IFPGATVRVT NVDDTYYRFE GLVQRVSDGK AAVLFENGNW DKLVTFRLSE DATA SEQUENCE LEAVK 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.238 176.117 0.202 0.000 1.063 2 I CA 0.000 61.367 61.300 0.112 0.000 1.566 2 I CB 0.000 38.016 38.000 0.026 0.000 1.214 3 F N 4.572 124.520 119.950 -0.004 0.000 2.685 3 F HA 0.831 5.356 4.527 -0.004 0.000 0.315 3 F C -3.077 172.716 175.800 -0.012 0.000 1.126 3 F CA -3.144 54.853 58.000 -0.006 0.000 0.950 3 F CB 0.441 39.438 39.000 -0.005 0.000 1.360 3 F HN -0.001 nan 8.300 nan 0.000 0.469 4 P HA 0.326 nan 4.420 nan 0.000 0.263 4 P C 0.622 177.863 177.300 -0.099 0.000 1.195 4 P CA 1.733 64.803 63.100 -0.050 0.000 0.762 4 P CB 0.747 32.468 31.700 0.036 0.000 0.799 5 G N 2.166 110.833 108.800 -0.221 0.000 2.238 5 G HA2 -0.123 3.834 3.960 -0.005 0.000 0.217 5 G HA3 -0.123 3.834 3.960 -0.005 0.000 0.217 5 G C 0.408 175.085 174.900 -0.372 0.000 0.996 5 G CA -0.059 44.931 45.100 -0.184 0.000 0.632 5 G HN 0.815 nan 8.290 nan 0.000 0.503 6 A N 0.368 122.705 122.820 -0.804 0.000 2.386 6 A HA 0.682 4.999 4.320 -0.005 0.000 0.248 6 A C 0.541 177.919 177.584 -0.343 0.000 1.082 6 A CA 1.154 52.745 52.037 -0.745 0.000 0.789 6 A CB 0.427 18.779 19.000 -1.080 0.000 1.025 6 A HN 0.703 nan 8.150 nan 0.000 0.490 7 T N 1.365 115.796 114.554 -0.204 0.000 2.795 7 T HA 0.530 4.877 4.350 -0.005 0.000 0.282 7 T C -0.020 174.622 174.700 -0.097 0.000 0.980 7 T CA -0.124 61.905 62.100 -0.118 0.000 1.012 7 T CB 0.752 69.585 68.868 -0.058 0.000 0.936 7 T HN 1.167 nan 8.240 nan 0.000 0.457 8 V N 1.605 121.470 119.914 -0.081 0.000 3.001 8 V HA 0.774 4.891 4.120 -0.005 0.000 0.314 8 V C -0.558 175.533 176.094 -0.005 0.000 1.099 8 V CA -1.434 60.831 62.300 -0.058 0.000 0.989 8 V CB 2.114 33.882 31.823 -0.092 0.000 1.040 8 V HN 0.822 nan 8.190 nan 0.000 0.434 9 R N 1.645 122.143 120.500 -0.004 0.000 2.562 9 R HA 0.742 5.079 4.340 -0.005 0.000 0.298 9 R C -1.426 174.868 176.300 -0.009 0.000 0.961 9 R CA -0.620 55.493 56.100 0.023 0.000 0.881 9 R CB 2.155 32.455 30.300 0.001 0.000 1.159 9 R HN 0.763 nan 8.270 nan 0.000 0.450 10 V N 3.989 123.905 119.914 0.004 0.000 2.470 10 V HA 0.063 4.180 4.120 -0.005 0.000 0.276 10 V C 1.317 177.481 176.094 0.117 0.000 1.040 10 V CA 0.246 62.519 62.300 -0.046 0.000 1.008 10 V CB 1.180 32.967 31.823 -0.059 0.000 0.990 10 V HN 1.029 nan 8.190 nan 0.000 0.477 11 T N 0.206 114.842 114.554 0.136 0.000 3.054 11 T HA 0.082 4.430 4.350 -0.005 0.000 0.255 11 T C 0.740 175.589 174.700 0.250 0.000 1.035 11 T CA -0.293 61.957 62.100 0.249 0.000 0.941 11 T CB -0.199 68.750 68.868 0.134 0.000 1.026 11 T HN 0.457 nan 8.240 nan 0.000 0.533 12 N N 2.875 121.686 118.700 0.185 0.000 2.405 12 N HA 0.072 4.809 4.740 -0.005 0.000 0.260 12 N C 1.529 176.949 175.510 -0.150 0.000 1.152 12 N CA -0.014 53.069 53.050 0.056 0.000 0.948 12 N CB 1.531 40.089 38.487 0.119 0.000 1.111 12 N HN 0.238 nan 8.380 nan 0.000 0.485 13 V N 0.551 120.189 119.914 -0.459 0.000 2.867 13 V HA -0.076 4.041 4.120 -0.005 0.000 0.260 13 V C 0.747 176.575 176.094 -0.442 0.000 1.099 13 V CA 1.492 63.238 62.300 -0.923 0.000 1.122 13 V CB -0.211 31.230 31.823 -0.636 0.000 0.708 13 V HN 0.408 nan 8.190 nan 0.000 0.490 14 D N 0.022 120.306 120.400 -0.194 0.000 2.349 14 D HA 0.169 4.806 4.640 -0.005 0.000 0.214 14 D C 0.343 176.632 176.300 -0.020 0.000 1.063 14 D CA 0.371 54.319 54.000 -0.087 0.000 0.847 14 D CB 0.216 40.986 40.800 -0.049 0.000 0.933 14 D HN 0.683 nan 8.370 nan 0.000 0.513 15 D N -0.882 119.537 120.400 0.032 0.000 2.264 15 D HA 0.102 4.739 4.640 -0.005 0.000 0.249 15 D C 1.241 177.575 176.300 0.056 0.000 1.070 15 D CA -0.055 54.012 54.000 0.111 0.000 0.912 15 D CB 1.435 42.401 40.800 0.277 0.000 1.193 15 D HN -0.281 nan 8.370 nan 0.000 0.427 16 T N 1.832 116.339 114.554 -0.079 0.000 2.759 16 T HA -0.199 4.148 4.350 -0.005 0.000 0.269 16 T C 0.735 175.140 174.700 -0.492 0.000 1.042 16 T CA 1.368 63.262 62.100 -0.343 0.000 1.140 16 T CB -0.279 68.210 68.868 -0.631 0.000 0.864 16 T HN 0.443 nan 8.240 nan 0.000 0.455 17 Y N -0.015 120.233 120.300 -0.087 0.000 2.583 17 Y HA 0.345 4.897 4.550 0.004 0.000 0.294 17 Y C 0.315 176.262 175.900 0.078 0.000 1.170 17 Y CA -1.897 55.983 58.100 -0.367 0.000 1.265 17 Y CB -0.846 37.259 38.460 -0.592 0.000 1.119 17 Y HN 0.188 nan 8.280 nan 0.000 0.522 18 Y N 2.446 122.832 120.300 0.144 0.000 2.805 18 Y HA 0.008 4.550 4.550 -0.014 0.000 0.331 18 Y C 1.116 177.134 175.900 0.197 0.000 1.241 18 Y CA -0.110 58.074 58.100 0.139 0.000 1.546 18 Y CB 0.117 38.627 38.460 0.083 0.000 1.248 18 Y HN 0.475 nan 8.280 nan 0.000 0.559 19 R N 1.840 122.171 120.500 -0.281 0.000 3.785 19 R HA -0.269 4.068 4.340 -0.005 0.000 0.476 19 R C -0.264 175.995 176.300 -0.068 0.000 0.905 19 R CA 1.040 56.942 56.100 -0.330 0.000 1.412 19 R CB -2.156 27.822 30.300 -0.537 0.000 2.077 19 R HN 0.573 nan 8.270 nan 0.000 0.504 20 F N 1.881 121.756 119.950 -0.125 0.000 2.450 20 F HA 0.121 4.641 4.527 -0.013 0.000 0.339 20 F C 1.175 177.025 175.800 0.084 0.000 1.146 20 F CA 0.415 58.363 58.000 -0.087 0.000 1.267 20 F CB 0.593 39.364 39.000 -0.380 0.000 1.178 20 F HN -0.093 nan 8.300 nan 0.000 0.585 21 E N 0.980 121.387 120.200 0.344 0.000 2.210 21 E HA 0.574 4.921 4.350 -0.005 0.000 0.266 21 E C -0.255 176.596 176.600 0.419 0.000 0.883 21 E CA -0.692 55.887 56.400 0.298 0.000 0.761 21 E CB 2.143 31.912 29.700 0.114 0.000 1.156 21 E HN 0.759 nan 8.360 nan 0.000 0.412 22 G N 1.346 110.278 108.800 0.219 0.000 2.866 22 G HA2 0.546 4.503 3.960 -0.005 0.000 0.289 22 G HA3 0.546 4.503 3.960 -0.005 0.000 0.289 22 G C -1.774 173.038 174.900 -0.146 0.000 1.396 22 G CA -0.642 44.431 45.100 -0.046 0.000 0.848 22 G HN 0.290 nan 8.290 nan 0.000 0.515 23 L N 0.660 121.762 121.223 -0.201 0.000 2.295 23 L HA 0.626 4.963 4.340 -0.005 0.000 0.285 23 L C 0.059 176.802 176.870 -0.212 0.000 1.035 23 L CA -0.626 54.108 54.840 -0.177 0.000 0.806 23 L CB 1.802 43.783 42.059 -0.130 0.000 1.214 23 L HN 0.266 nan 8.230 nan 0.000 0.426 24 V N 6.123 125.911 119.914 -0.210 0.000 2.508 24 V HA 0.139 4.256 4.120 -0.005 0.000 0.281 24 V C 0.784 176.787 176.094 -0.152 0.000 1.041 24 V CA 0.109 62.297 62.300 -0.187 0.000 1.016 24 V CB 0.935 32.630 31.823 -0.212 0.000 0.984 24 V HN 0.910 nan 8.190 nan 0.000 0.478 25 Q N 3.557 123.285 119.800 -0.120 0.000 2.423 25 Q HA 0.309 4.646 4.340 -0.005 0.000 0.231 25 Q C 0.222 176.188 176.000 -0.057 0.000 0.894 25 Q CA 0.240 55.990 55.803 -0.088 0.000 0.938 25 Q CB 0.904 29.586 28.738 -0.093 0.000 1.079 25 Q HN 0.568 nan 8.270 nan 0.000 0.552 26 R N 0.281 120.750 120.500 -0.051 0.000 2.668 26 R HA 0.559 4.896 4.340 -0.005 0.000 0.272 26 R C -1.475 174.816 176.300 -0.014 0.000 1.019 26 R CA -0.545 55.540 56.100 -0.025 0.000 0.894 26 R CB 2.484 32.768 30.300 -0.027 0.000 1.228 26 R HN -0.156 nan 8.270 nan 0.000 0.460 27 V N 0.858 120.775 119.914 0.005 0.000 2.525 27 V HA 0.593 4.710 4.120 -0.005 0.000 0.299 27 V C -0.612 175.494 176.094 0.019 0.000 1.034 27 V CA -0.537 61.774 62.300 0.017 0.000 0.863 27 V CB 1.889 33.733 31.823 0.034 0.000 0.999 27 V HN 0.833 nan 8.190 nan 0.000 0.423 28 S N 2.977 118.687 115.700 0.017 0.000 2.556 28 S HA 0.494 4.961 4.470 -0.005 0.000 0.280 28 S C -0.548 174.061 174.600 0.015 0.000 1.141 28 S CA -0.111 58.098 58.200 0.015 0.000 0.883 28 S CB 1.526 64.730 63.200 0.007 0.000 1.103 28 S HN 1.073 nan 8.310 nan 0.000 0.453 29 D N 2.503 122.912 120.400 0.015 0.000 2.708 29 D HA -0.129 4.508 4.640 -0.005 0.000 0.236 29 D C 0.925 177.237 176.300 0.021 0.000 1.146 29 D CA 2.825 56.834 54.000 0.015 0.000 0.662 29 D CB -1.290 39.516 40.800 0.010 0.000 1.059 29 D HN 1.851 nan 8.370 nan 0.000 0.428 30 G N -0.535 108.281 108.800 0.026 0.000 2.155 30 G HA2 -0.351 3.607 3.960 -0.005 0.000 0.257 30 G HA3 -0.351 3.607 3.960 -0.005 0.000 0.257 30 G C 0.308 175.233 174.900 0.043 0.000 0.983 30 G CA 0.825 45.945 45.100 0.034 0.000 0.676 30 G HN 0.649 nan 8.290 nan 0.000 0.528 31 K N -0.613 119.811 120.400 0.040 0.000 2.443 31 K HA 0.831 5.148 4.320 -0.005 0.000 0.251 31 K C -0.366 176.263 176.600 0.047 0.000 0.972 31 K CA -0.279 56.039 56.287 0.052 0.000 0.833 31 K CB 2.346 34.867 32.500 0.034 0.000 1.317 31 K HN 0.711 nan 8.250 nan 0.000 0.441 32 A N 0.748 123.610 122.820 0.070 0.000 2.393 32 A HA 0.749 5.066 4.320 -0.005 0.000 0.306 32 A C -1.304 176.310 177.584 0.050 0.000 1.050 32 A CA -0.741 51.324 52.037 0.047 0.000 0.724 32 A CB 1.567 20.591 19.000 0.040 0.000 1.248 32 A HN 0.683 nan 8.150 nan 0.000 0.424 33 A N 1.746 124.561 122.820 -0.009 0.000 2.276 33 A HA 0.616 4.933 4.320 -0.005 0.000 0.300 33 A C -0.400 177.133 177.584 -0.085 0.000 1.235 33 A CA -0.276 51.732 52.037 -0.049 0.000 0.867 33 A CB 0.113 19.072 19.000 -0.069 0.000 1.137 33 A HN 1.153 nan 8.150 nan 0.000 0.527 34 V N 3.577 123.421 119.914 -0.115 0.000 2.555 34 V HA 0.424 4.541 4.120 -0.005 0.000 0.302 34 V C -0.500 175.286 176.094 -0.513 0.000 1.038 34 V CA -0.618 61.505 62.300 -0.296 0.000 0.887 34 V CB 1.539 33.170 31.823 -0.320 0.000 0.991 34 V HN 0.823 nan 8.190 nan 0.000 0.434 35 L N 5.232 126.158 121.223 -0.495 0.000 2.272 35 L HA 0.674 5.011 4.340 -0.005 0.000 0.289 35 L C -1.087 175.489 176.870 -0.492 0.000 1.032 35 L CA 0.283 54.860 54.840 -0.438 0.000 0.810 35 L CB 0.673 42.586 42.059 -0.244 0.000 1.205 35 L HN 0.430 nan 8.230 nan 0.000 0.422 36 F N 3.577 123.442 119.950 -0.143 0.000 2.421 36 F HA 0.643 5.172 4.527 0.003 0.000 0.337 36 F C 0.304 176.047 175.800 -0.095 0.000 1.105 36 F CA -0.515 57.476 58.000 -0.015 0.000 1.049 36 F CB 1.493 40.536 39.000 0.072 0.000 1.139 36 F HN 0.502 nan 8.300 nan 0.000 0.479 37 E N 1.912 122.298 120.200 0.311 0.000 2.366 37 E HA 0.378 4.725 4.350 -0.005 0.000 0.278 37 E C -1.745 175.098 176.600 0.406 0.000 0.923 37 E CA -0.821 55.718 56.400 0.232 0.000 0.761 37 E CB 2.174 31.927 29.700 0.089 0.000 1.231 37 E HN 0.777 nan 8.360 nan 0.000 0.443 38 N N 3.230 122.203 118.700 0.456 0.000 2.812 38 N HA 0.319 5.056 4.740 -0.005 0.000 0.262 38 N C -0.001 175.680 175.510 0.286 0.000 1.241 38 N CA 0.339 53.599 53.050 0.350 0.000 0.854 38 N CB 0.932 39.641 38.487 0.370 0.000 1.506 38 N HN 0.805 nan 8.380 nan 0.000 0.576 39 G N 3.218 112.123 108.800 0.174 0.000 2.561 39 G HA2 -0.389 3.569 3.960 -0.005 0.000 0.289 39 G HA3 -0.389 3.569 3.960 -0.005 0.000 0.289 39 G C 0.442 175.428 174.900 0.143 0.000 1.169 39 G CA 0.432 45.614 45.100 0.136 0.000 0.980 39 G HN 0.592 nan 8.290 nan 0.000 0.550 40 N N 0.141 118.932 118.700 0.152 0.000 2.412 40 N HA 0.084 4.821 4.740 -0.005 0.000 0.184 40 N C 0.470 176.083 175.510 0.173 0.000 1.101 40 N CA 0.679 53.806 53.050 0.128 0.000 0.881 40 N CB 0.020 38.572 38.487 0.107 0.000 0.969 40 N HN 0.491 nan 8.380 nan 0.000 0.459 41 W N 3.405 124.741 121.300 0.060 0.000 2.272 41 W HA 0.236 4.898 4.660 0.003 0.000 0.318 41 W C -0.542 176.032 176.519 0.092 0.000 1.255 41 W CA -0.319 57.073 57.345 0.078 0.000 1.200 41 W CB 0.592 30.111 29.460 0.098 0.000 1.170 41 W HN 0.051 nan 8.180 nan 0.000 0.549 42 D N 4.745 124.616 120.400 -0.883 0.000 2.769 42 D HA 0.272 4.909 4.640 -0.005 0.000 0.219 42 D C -1.552 174.174 176.300 -0.956 0.000 1.245 42 D CA -0.790 52.687 54.000 -0.870 0.000 0.801 42 D CB 1.801 42.392 40.800 -0.348 0.000 1.598 42 D HN 0.166 nan 8.370 nan 0.000 0.485 43 K N 1.217 121.143 120.400 -0.790 0.000 2.501 43 K HA 0.401 4.718 4.320 -0.005 0.000 0.252 43 K C -1.277 175.155 176.600 -0.280 0.000 0.934 43 K CA -0.848 55.176 56.287 -0.439 0.000 0.797 43 K CB 2.676 34.986 32.500 -0.318 0.000 1.270 43 K HN 0.473 nan 8.250 nan 0.000 0.431 44 L N 3.286 124.382 121.223 -0.212 0.000 2.276 44 L HA 0.446 4.783 4.340 -0.005 0.000 0.286 44 L C -1.195 175.571 176.870 -0.173 0.000 1.024 44 L CA -0.520 54.199 54.840 -0.203 0.000 0.826 44 L CB 1.296 43.259 42.059 -0.160 0.000 1.211 44 L HN 0.322 nan 8.230 nan 0.000 0.422 45 V N 3.329 123.123 119.914 -0.201 0.000 2.735 45 V HA 0.569 4.686 4.120 -0.005 0.000 0.310 45 V C 0.116 176.020 176.094 -0.317 0.000 1.061 45 V CA -0.634 61.517 62.300 -0.249 0.000 0.913 45 V CB 2.085 33.757 31.823 -0.253 0.000 1.005 45 V HN 0.742 nan 8.190 nan 0.000 0.428 46 T N 4.755 119.082 114.554 -0.378 0.000 2.799 46 T HA 0.732 5.079 4.350 -0.005 0.000 0.286 46 T C -0.816 173.617 174.700 -0.445 0.000 0.973 46 T CA 0.108 62.051 62.100 -0.260 0.000 1.035 46 T CB 0.419 69.202 68.868 -0.142 0.000 0.932 46 T HN 0.350 nan 8.240 nan 0.000 0.469 47 F N 0.767 120.729 119.950 0.020 0.000 2.603 47 F HA 0.536 5.058 4.527 -0.008 0.000 0.317 47 F C 0.760 176.579 175.800 0.033 0.000 1.066 47 F CA -1.422 56.608 58.000 0.048 0.000 0.941 47 F CB 1.579 40.623 39.000 0.074 0.000 1.291 47 F HN 0.218 nan 8.300 nan 0.000 0.472 48 R N 1.416 122.065 120.500 0.250 0.000 2.539 48 R HA 0.304 4.641 4.340 -0.005 0.000 0.275 48 R C 0.876 177.262 176.300 0.143 0.000 1.077 48 R CA -0.492 55.696 56.100 0.146 0.000 1.097 48 R CB 0.597 30.965 30.300 0.112 0.000 1.018 48 R HN 0.711 nan 8.270 nan 0.000 0.483 49 L N 1.217 122.497 121.223 0.095 0.000 2.191 49 L HA -0.207 4.130 4.340 -0.005 0.000 0.212 49 L C 2.277 179.185 176.870 0.063 0.000 1.103 49 L CA 1.502 56.385 54.840 0.073 0.000 0.769 49 L CB -0.380 41.713 42.059 0.056 0.000 0.908 49 L HN 0.755 nan 8.230 nan 0.000 0.438 50 S N -1.233 114.507 115.700 0.068 0.000 2.515 50 S HA -0.116 4.351 4.470 -0.005 0.000 0.231 50 S C 1.403 176.042 174.600 0.065 0.000 0.987 50 S CA 0.578 58.813 58.200 0.059 0.000 0.936 50 S CB -0.206 63.026 63.200 0.054 0.000 0.766 50 S HN 0.518 nan 8.310 nan 0.000 0.528 51 E N 0.389 120.640 120.200 0.085 0.000 2.474 51 E HA 0.324 4.672 4.350 -0.005 0.000 0.195 51 E C -0.316 176.292 176.600 0.013 0.000 1.039 51 E CA -0.059 56.393 56.400 0.086 0.000 0.881 51 E CB 0.228 30.035 29.700 0.180 0.000 0.970 51 E HN 0.543 nan 8.360 nan 0.000 0.486 52 L N 0.689 121.916 121.223 0.006 0.000 2.341 52 L HA 0.457 4.795 4.340 -0.005 0.000 0.267 52 L C -0.253 176.614 176.870 -0.005 0.000 1.009 52 L CA -0.785 54.033 54.840 -0.036 0.000 0.819 52 L CB 2.117 44.145 42.059 -0.051 0.000 1.323 52 L HN -0.082 nan 8.230 nan 0.000 0.425 53 E N 1.662 121.855 120.200 -0.012 0.000 2.244 53 E HA 0.551 4.898 4.350 -0.005 0.000 0.260 53 E C -1.132 175.465 176.600 -0.007 0.000 0.884 53 E CA -0.756 55.646 56.400 0.004 0.000 0.777 53 E CB 1.961 31.669 29.700 0.014 0.000 1.197 53 E HN 0.699 nan 8.360 nan 0.000 0.416 54 A N 3.524 126.345 122.820 0.001 0.000 2.477 54 A HA 0.452 4.769 4.320 -0.005 0.000 0.246 54 A C 0.194 177.780 177.584 0.003 0.000 1.078 54 A CA -0.135 51.898 52.037 -0.007 0.000 0.770 54 A CB 0.285 19.298 19.000 0.022 0.000 1.011 54 A HN 0.518 nan 8.150 nan 0.000 0.494 55 V N -0.055 119.855 119.914 -0.006 0.000 3.156 55 V HA 0.768 4.885 4.120 -0.005 0.000 0.311 55 V C -0.235 175.863 176.094 0.006 0.000 1.208 55 V CA -1.387 60.915 62.300 0.002 0.000 1.063 55 V CB 1.139 32.961 31.823 -0.003 0.000 1.098 55 V HN 0.807 nan 8.190 nan 0.000 0.452 56 K N 0.000 120.406 120.400 0.009 0.000 2.780 56 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 56 K CA 0.000 56.295 56.287 0.014 0.000 0.838 56 K CB 0.000 32.508 32.500 0.013 0.000 1.064 56 K HN 0.000 nan 8.250 nan 0.000 0.543