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 1ntk_1_I DATA FIRST_RESID 1 DATA SEQUENCE MLSVAARSGP FAPVLSATSR GVAGALRPLV QAAVPATSES PVLDLKRSVL DATA SEQUENCE CRESLRG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.008 0.000 1.302 2 L N 0.025 121.245 121.223 -0.006 0.000 2.416 2 L HA 0.377 4.717 4.340 0.000 0.000 0.212 2 L C 1.144 178.010 176.870 -0.007 0.000 1.200 2 L CA 0.297 55.134 54.840 -0.005 0.000 0.841 2 L CB 0.029 42.087 42.059 -0.003 0.000 1.299 2 L HN 0.461 nan 8.230 nan 0.000 0.538 3 S N -1.954 113.743 115.700 -0.006 0.000 4.229 3 S HA -0.097 4.373 4.470 0.000 0.000 0.404 3 S C 0.656 175.250 174.600 -0.011 0.000 0.913 3 S CA 0.231 58.427 58.200 -0.007 0.000 1.076 3 S CB -1.327 61.868 63.200 -0.008 0.000 0.768 3 S HN 0.489 nan 8.310 nan 0.000 0.550 4 V N 2.264 122.173 119.914 -0.009 0.000 2.240 4 V HA -0.406 3.714 4.120 0.000 0.000 0.257 4 V C 3.049 179.129 176.094 -0.023 0.000 1.067 4 V CA 3.307 65.600 62.300 -0.012 0.000 1.067 4 V CB -2.159 29.661 31.823 -0.004 0.000 0.683 4 V HN 1.394 nan 8.190 nan 0.000 0.461 5 A N 0.394 123.201 122.820 -0.021 0.000 1.873 5 A HA -0.314 4.006 4.320 0.000 0.000 0.219 5 A C 2.406 179.959 177.584 -0.051 0.000 1.269 5 A CA 3.823 55.837 52.037 -0.038 0.000 0.671 5 A CB -1.360 17.628 19.000 -0.021 0.000 0.842 5 A HN 0.997 nan 8.150 nan 0.000 0.460 6 A N -0.878 121.921 122.820 -0.035 0.000 2.019 6 A HA -0.119 4.201 4.320 0.000 0.000 0.219 6 A C 2.092 179.655 177.584 -0.035 0.000 1.164 6 A CA 1.637 53.653 52.037 -0.035 0.000 0.644 6 A CB -0.457 18.530 19.000 -0.023 0.000 0.805 6 A HN 0.598 nan 8.150 nan 0.000 0.449 7 R N 0.257 120.739 120.500 -0.031 0.000 2.366 7 R HA 0.095 4.435 4.340 0.000 0.000 0.201 7 R C -0.365 175.911 176.300 -0.040 0.000 1.057 7 R CA 0.709 56.792 56.100 -0.029 0.000 1.086 7 R CB -0.702 29.584 30.300 -0.022 0.000 0.914 7 R HN 0.293 nan 8.270 nan 0.000 0.476 8 S N -2.536 113.131 115.700 -0.054 0.000 3.392 8 S HA -0.094 4.376 4.470 0.000 0.000 0.856 8 S C 0.608 175.154 174.600 -0.089 0.000 1.165 8 S CA 0.804 58.958 58.200 -0.077 0.000 0.983 8 S CB -0.601 62.560 63.200 -0.065 0.000 0.672 8 S HN 0.897 nan 8.310 nan 0.000 0.271 9 G N 2.730 111.448 108.800 -0.137 0.000 3.178 9 G HA2 -0.144 3.816 3.960 0.000 0.000 0.200 9 G HA3 -0.144 3.816 3.960 0.000 0.000 0.200 9 G C -2.806 171.986 174.900 -0.180 0.000 1.831 9 G CA -0.096 44.920 45.100 -0.140 0.000 1.470 9 G HN 0.833 nan 8.290 nan 0.000 0.591 10 P HA 0.512 nan 4.420 nan 0.000 0.272 10 P C -0.331 176.904 177.300 -0.108 0.000 1.223 10 P CA -0.168 62.899 63.100 -0.056 0.000 0.784 10 P CB 0.317 32.009 31.700 -0.014 0.000 0.923 11 F N 0.833 120.783 119.950 -0.000 0.000 2.406 11 F HA 0.447 4.974 4.527 -0.000 0.000 0.327 11 F C 0.678 176.478 175.800 -0.000 0.000 1.153 11 F CA 0.485 58.485 58.000 -0.000 0.000 1.218 11 F CB 0.719 39.719 39.000 -0.000 0.000 1.215 11 F HN 0.246 nan 8.300 nan 0.000 0.570 12 A N 4.314 127.324 122.820 0.316 0.000 2.599 12 A HA 0.555 4.875 4.320 0.000 0.000 0.281 12 A C -2.862 174.833 177.584 0.185 0.000 1.137 12 A CA -1.335 50.805 52.037 0.171 0.000 0.767 12 A CB 0.377 19.419 19.000 0.070 0.000 1.266 12 A HN 0.373 nan 8.150 nan 0.000 0.420 13 P HA 0.498 nan 4.420 nan 0.000 0.285 13 P C -0.576 176.758 177.300 0.057 0.000 1.259 13 P CA -0.297 62.852 63.100 0.082 0.000 0.794 13 P CB 1.641 33.365 31.700 0.041 0.000 0.940 14 V N 4.435 124.377 119.914 0.048 0.000 2.628 14 V HA 0.441 4.561 4.120 0.000 0.000 0.306 14 V C -0.355 175.753 176.094 0.023 0.000 1.045 14 V CA -0.726 61.594 62.300 0.033 0.000 0.905 14 V CB 1.969 33.812 31.823 0.033 0.000 0.997 14 V HN 0.438 nan 8.190 nan 0.000 0.436 15 L N 3.049 124.282 121.223 0.017 0.000 2.309 15 L HA 0.800 5.140 4.340 0.000 0.000 0.261 15 L C -0.377 176.499 176.870 0.010 0.000 1.021 15 L CA 0.000 54.847 54.840 0.011 0.000 0.823 15 L CB 2.388 44.452 42.059 0.008 0.000 1.366 15 L HN 0.759 nan 8.230 nan 0.000 0.423 16 S N -0.299 115.405 115.700 0.008 0.000 2.625 16 S HA 0.728 5.198 4.470 0.000 0.000 0.271 16 S C 0.301 174.904 174.600 0.005 0.000 1.161 16 S CA 0.317 58.521 58.200 0.007 0.000 0.820 16 S CB 1.851 65.055 63.200 0.008 0.000 1.137 16 S HN 0.785 nan 8.310 nan 0.000 0.470 17 A N 0.736 123.559 122.820 0.005 0.000 1.881 17 A HA 0.149 4.469 4.320 0.000 0.000 0.210 17 A C 2.046 179.632 177.584 0.003 0.000 1.239 17 A CA 1.763 53.802 52.037 0.004 0.000 0.629 17 A CB -1.239 17.763 19.000 0.003 0.000 0.906 17 A HN 0.919 nan 8.150 nan 0.000 0.460 18 T N -2.066 112.491 114.554 0.004 0.000 3.039 18 T HA 0.171 4.521 4.350 0.000 0.000 0.250 18 T C 1.229 175.931 174.700 0.004 0.000 1.052 18 T CA 1.175 63.277 62.100 0.004 0.000 1.125 18 T CB -0.280 68.590 68.868 0.003 0.000 0.908 18 T HN 0.317 nan 8.240 nan 0.000 0.473 19 S N 0.681 116.384 115.700 0.005 0.000 2.495 19 S HA 0.629 5.099 4.470 0.000 0.000 0.273 19 S C -0.086 174.518 174.600 0.007 0.000 1.156 19 S CA -0.840 57.364 58.200 0.006 0.000 1.032 19 S CB 0.458 63.663 63.200 0.007 0.000 1.160 19 S HN 0.397 nan 8.310 nan 0.000 0.489 20 R N -0.159 120.347 120.500 0.009 0.000 2.637 20 R HA 0.528 4.868 4.340 0.000 0.000 0.291 20 R C 0.101 176.408 176.300 0.012 0.000 0.963 20 R CA -0.524 55.582 56.100 0.009 0.000 0.901 20 R CB 1.329 31.635 30.300 0.009 0.000 1.160 20 R HN 0.742 nan 8.270 nan 0.000 0.457 21 G N 1.679 110.485 108.800 0.010 0.000 2.254 21 G HA2 0.227 4.187 3.960 0.000 0.000 0.253 21 G HA3 0.227 4.187 3.960 0.000 0.000 0.253 21 G C -0.288 174.624 174.900 0.019 0.000 1.246 21 G CA -0.075 45.032 45.100 0.012 0.000 0.946 21 G HN 0.244 nan 8.290 nan 0.000 0.474 22 V N 1.680 121.612 119.914 0.029 0.000 2.815 22 V HA 0.815 4.935 4.120 0.000 0.000 0.314 22 V C 0.290 176.428 176.094 0.072 0.000 1.064 22 V CA -0.516 61.813 62.300 0.047 0.000 0.952 22 V CB 2.054 33.906 31.823 0.049 0.000 1.020 22 V HN 1.124 nan 8.190 nan 0.000 0.439 23 A N 2.088 124.977 122.820 0.115 0.000 2.651 23 A HA 0.716 5.036 4.320 0.000 0.000 0.290 23 A C 0.135 177.962 177.584 0.405 0.000 1.185 23 A CA 0.144 52.310 52.037 0.216 0.000 0.746 23 A CB 0.924 19.928 19.000 0.008 0.000 1.213 23 A HN 1.160 nan 8.150 nan 0.000 0.429 24 G N 1.129 110.143 108.800 0.358 0.000 4.885 24 G HA2 0.562 4.522 3.960 0.000 0.000 0.263 24 G HA3 0.562 4.522 3.960 0.000 0.000 0.263 24 G C 0.401 175.225 174.900 -0.127 0.000 1.168 24 G CA 0.708 45.894 45.100 0.143 0.000 0.906 24 G HN 1.108 nan 8.290 nan 0.000 0.575 25 A N 0.025 122.477 122.820 -0.614 0.000 2.645 25 A HA 0.863 5.183 4.320 0.000 0.000 0.245 25 A C -0.315 176.898 177.584 -0.619 0.000 1.758 25 A CA -0.093 51.448 52.037 -0.826 0.000 0.850 25 A CB 0.292 18.485 19.000 -1.346 0.000 1.656 25 A HN 0.465 nan 8.150 nan 0.000 0.641 26 L N -0.666 120.251 121.223 -0.511 0.000 2.386 26 L HA 0.714 5.054 4.340 0.000 0.000 0.271 26 L C -0.564 176.202 176.870 -0.173 0.000 0.993 26 L CA -0.385 54.293 54.840 -0.270 0.000 0.819 26 L CB 2.025 43.986 42.059 -0.163 0.000 1.294 26 L HN 0.954 nan 8.230 nan 0.000 0.414 27 R N 1.975 122.415 120.500 -0.098 0.000 2.789 27 R HA 0.684 5.024 4.340 0.000 0.000 0.279 27 R C -2.893 173.395 176.300 -0.019 0.000 1.010 27 R CA -1.417 54.661 56.100 -0.036 0.000 0.855 27 R CB -1.124 29.180 30.300 0.007 0.000 1.312 27 R HN 0.206 nan 8.270 nan 0.000 0.479 28 P HA 0.603 nan 4.420 nan 0.000 0.276 28 P C -0.384 176.923 177.300 0.011 0.000 1.261 28 P CA -0.554 62.547 63.100 0.002 0.000 0.800 28 P CB 0.831 32.534 31.700 0.005 0.000 1.066 29 L N -0.796 120.432 121.223 0.009 0.000 1.433 29 L HA -0.096 4.244 4.340 0.000 0.000 0.146 29 L C 1.285 178.160 176.870 0.010 0.000 1.334 29 L CA 0.887 55.736 54.840 0.014 0.000 1.267 29 L CB -1.030 41.044 42.059 0.024 0.000 2.547 29 L HN 0.072 nan 8.230 nan 0.000 0.476 30 V N 0.579 120.496 119.914 0.005 0.000 2.343 30 V HA -0.222 3.898 4.120 0.000 0.000 0.247 30 V C 1.839 177.934 176.094 0.003 0.000 1.051 30 V CA 2.317 64.619 62.300 0.003 0.000 1.036 30 V CB -0.640 31.183 31.823 -0.000 0.000 0.654 30 V HN 0.528 nan 8.190 nan 0.000 0.451 31 Q N -0.490 119.311 119.800 0.001 0.000 2.387 31 Q HA 0.231 4.571 4.340 0.000 0.000 0.211 31 Q C 1.599 177.601 176.000 0.003 0.000 0.952 31 Q CA 0.656 56.460 55.803 0.001 0.000 0.957 31 Q CB 0.013 28.750 28.738 -0.000 0.000 1.002 31 Q HN 0.672 nan 8.270 nan 0.000 0.502 32 A N -0.540 122.284 122.820 0.005 0.000 2.287 32 A HA 0.402 4.722 4.320 0.000 0.000 0.214 32 A C 1.774 179.362 177.584 0.006 0.000 1.228 32 A CA 0.456 52.497 52.037 0.006 0.000 0.939 32 A CB 0.305 19.310 19.000 0.009 0.000 0.992 32 A HN 0.300 nan 8.150 nan 0.000 0.502 33 A N -0.248 122.576 122.820 0.006 0.000 2.178 33 A HA 0.351 4.671 4.320 0.000 0.000 0.211 33 A C 1.785 179.371 177.584 0.004 0.000 1.157 33 A CA 1.200 53.241 52.037 0.006 0.000 0.780 33 A CB -0.315 18.689 19.000 0.006 0.000 0.828 33 A HN 0.250 nan 8.150 nan 0.000 0.476 34 V N 0.435 120.352 119.914 0.004 0.000 2.278 34 V HA -0.022 4.098 4.120 0.000 0.000 0.238 34 V C -1.429 174.666 176.094 0.003 0.000 1.039 34 V CA 0.725 63.027 62.300 0.003 0.000 1.017 34 V CB -1.651 30.173 31.823 0.002 0.000 0.657 34 V HN 0.303 nan 8.190 nan 0.000 0.462 35 P HA 0.310 nan 4.420 nan 0.000 0.268 35 P C -0.532 176.770 177.300 0.003 0.000 1.282 35 P CA 0.381 63.483 63.100 0.003 0.000 0.880 35 P CB 0.270 31.972 31.700 0.003 0.000 0.971 36 A N 2.899 125.721 122.820 0.003 0.000 2.240 36 A HA 0.704 5.024 4.320 0.000 0.000 0.292 36 A C 0.692 178.278 177.584 0.004 0.000 1.121 36 A CA 0.069 52.109 52.037 0.004 0.000 0.851 36 A CB 0.147 19.149 19.000 0.003 0.000 1.167 36 A HN 0.508 nan 8.150 nan 0.000 0.503 37 T N -0.414 114.143 114.554 0.004 0.000 5.254 37 T HA -0.086 4.264 4.350 0.000 0.000 0.266 37 T C -0.061 174.642 174.700 0.005 0.000 2.219 37 T CA 0.425 62.528 62.100 0.004 0.000 3.807 37 T CB -1.825 67.045 68.868 0.004 0.000 0.159 37 T HN 0.687 nan 8.240 nan 0.000 1.149 38 S N 1.591 117.294 115.700 0.006 0.000 2.835 38 S HA 0.303 4.773 4.470 0.000 0.000 0.286 38 S C 1.267 175.872 174.600 0.007 0.000 1.194 38 S CA -0.605 57.600 58.200 0.007 0.000 1.031 38 S CB 0.995 64.201 63.200 0.009 0.000 1.216 38 S HN 0.418 nan 8.310 nan 0.000 0.502 39 E N 2.643 122.846 120.200 0.006 0.000 1.987 39 E HA -0.113 4.237 4.350 0.000 0.000 0.214 39 E C 0.531 177.135 176.600 0.006 0.000 1.012 39 E CA 1.475 57.878 56.400 0.005 0.000 0.881 39 E CB 0.069 29.772 29.700 0.004 0.000 0.806 39 E HN 0.861 nan 8.360 nan 0.000 0.516 40 S N -0.867 114.837 115.700 0.006 0.000 3.054 40 S HA -0.061 4.409 4.470 0.000 0.000 0.850 40 S C -2.883 171.720 174.600 0.005 0.000 0.982 40 S CA -0.488 57.717 58.200 0.007 0.000 1.324 40 S CB -1.548 61.657 63.200 0.009 0.000 0.940 40 S HN 0.093 nan 8.310 nan 0.000 0.242 41 P HA 0.642 nan 4.420 nan 0.000 0.278 41 P C -0.522 176.780 177.300 0.003 0.000 1.266 41 P CA -0.792 62.309 63.100 0.003 0.000 0.807 41 P CB 0.629 32.330 31.700 0.002 0.000 1.094 42 V N 2.317 122.232 119.914 0.003 0.000 2.260 42 V HA 0.127 4.247 4.120 0.000 0.000 0.262 42 V C -0.283 175.812 176.094 0.002 0.000 1.163 42 V CA -0.461 61.841 62.300 0.003 0.000 1.194 42 V CB -0.913 30.912 31.823 0.003 0.000 1.339 42 V HN 0.431 nan 8.190 nan 0.000 0.492 43 L N 1.493 122.717 121.223 0.002 0.000 3.386 43 L HA -0.136 4.204 4.340 0.000 0.000 0.686 43 L C 0.094 176.964 176.870 0.000 0.000 1.220 43 L CA 0.658 55.498 54.840 0.001 0.000 1.165 43 L CB -1.530 40.530 42.059 0.001 0.000 1.730 43 L HN 0.541 nan 8.230 nan 0.000 0.889 44 D N 0.432 120.832 120.400 -0.000 0.000 2.469 44 D HA 0.349 4.989 4.640 0.000 0.000 0.278 44 D C 1.155 177.454 176.300 -0.002 0.000 1.231 44 D CA -0.629 53.370 54.000 -0.001 0.000 1.075 44 D CB 0.572 41.371 40.800 -0.002 0.000 1.121 44 D HN 0.309 nan 8.370 nan 0.000 0.571 45 L N 1.149 122.370 121.223 -0.003 0.000 3.359 45 L HA -0.127 4.213 4.340 0.000 0.000 0.303 45 L C 1.072 177.939 176.870 -0.005 0.000 1.333 45 L CA 0.943 55.781 54.840 -0.004 0.000 1.193 45 L CB -0.663 41.393 42.059 -0.005 0.000 1.490 45 L HN 0.218 nan 8.230 nan 0.000 0.419 46 K N 1.596 121.994 120.400 -0.004 0.000 1.740 46 K HA 0.421 4.741 4.320 0.000 0.000 0.273 46 K C 0.200 176.799 176.600 -0.002 0.000 0.796 46 K CA -0.547 55.738 56.287 -0.003 0.000 0.535 46 K CB 1.224 33.723 32.500 -0.002 0.000 2.513 46 K HN 0.260 nan 8.250 nan 0.000 0.873 47 R N 0.088 120.587 120.500 -0.000 0.000 4.512 47 R HA 0.279 4.619 4.340 0.000 0.000 0.113 47 R C -0.968 175.334 176.300 0.003 0.000 1.445 47 R CA 0.903 57.003 56.100 0.001 0.000 1.001 47 R CB 0.079 30.380 30.300 0.001 0.000 1.175 47 R HN 0.738 nan 8.270 nan 0.000 0.408 48 S N -0.271 115.432 115.700 0.005 0.000 2.858 48 S HA 0.331 4.801 4.470 0.000 0.000 0.286 48 S C -0.787 173.818 174.600 0.008 0.000 0.807 48 S CA -0.592 57.611 58.200 0.006 0.000 0.800 48 S CB 0.344 63.547 63.200 0.005 0.000 1.005 48 S HN 0.280 nan 8.310 nan 0.000 0.520 49 V N 3.641 123.561 119.914 0.009 0.000 3.345 49 V HA 0.685 4.805 4.120 0.000 0.000 0.308 49 V C 1.557 177.657 176.094 0.010 0.000 1.168 49 V CA -0.555 61.752 62.300 0.012 0.000 1.024 49 V CB 0.673 32.504 31.823 0.014 0.000 1.211 49 V HN 1.348 nan 8.190 nan 0.000 0.461 50 L N -1.905 119.325 121.223 0.011 0.000 3.737 50 L HA -0.305 4.035 4.340 0.000 0.000 0.370 50 L C 1.205 178.080 176.870 0.008 0.000 0.709 50 L CA 1.074 55.920 54.840 0.009 0.000 2.983 50 L CB -1.911 40.152 42.059 0.007 0.000 0.704 50 L HN 0.967 nan 8.230 nan 0.000 0.728 51 C N -0.485 118.820 119.300 0.008 0.000 0.168 51 C HA -0.175 4.285 4.460 0.000 0.000 0.017 51 C C 0.676 175.669 174.990 0.006 0.000 0.171 51 C CA 0.753 59.775 59.018 0.007 0.000 0.499 51 C CB -0.266 27.479 27.740 0.008 0.000 3.212 51 C HN 0.517 nan 8.230 nan 0.000 1.118 52 R N 1.438 121.941 120.500 0.005 0.000 2.750 52 R HA 0.680 5.020 4.340 0.000 0.000 0.281 52 R C -0.039 176.264 176.300 0.004 0.000 0.972 52 R CA -0.440 55.663 56.100 0.004 0.000 0.912 52 R CB 1.644 31.946 30.300 0.004 0.000 1.187 52 R HN 0.829 nan 8.270 nan 0.000 0.464 53 E N 0.197 120.400 120.200 0.004 0.000 4.396 53 E HA -0.063 4.287 4.350 0.000 0.000 0.395 53 E C -1.398 175.204 176.600 0.003 0.000 0.634 53 E CA 0.021 56.423 56.400 0.003 0.000 1.540 53 E CB -0.374 29.328 29.700 0.004 0.000 1.848 53 E HN 0.763 nan 8.360 nan 0.000 0.315 54 S N -0.644 115.058 115.700 0.003 0.000 2.564 54 S HA 0.952 5.422 4.470 0.000 0.000 0.274 54 S C -0.122 174.480 174.600 0.002 0.000 1.124 54 S CA -0.726 57.475 58.200 0.003 0.000 0.869 54 S CB 3.056 66.258 63.200 0.003 0.000 1.105 54 S HN 0.149 nan 8.310 nan 0.000 0.472 55 L N 0.108 121.333 121.223 0.002 0.000 3.354 55 L HA 0.598 4.938 4.340 0.000 0.000 0.223 55 L C -0.153 176.718 176.870 0.001 0.000 1.349 55 L CA -0.738 54.102 54.840 0.002 0.000 1.559 55 L CB 0.480 42.540 42.059 0.002 0.000 1.610 55 L HN 0.941 nan 8.230 nan 0.000 0.523 56 R N -1.770 118.730 120.500 0.001 0.000 4.480 56 R HA 0.340 4.680 4.340 0.000 0.000 0.249 56 R C -1.542 174.758 176.300 0.001 0.000 0.885 56 R CA 0.110 56.211 56.100 0.001 0.000 0.659 56 R CB -0.487 29.814 30.300 0.001 0.000 1.986 56 R HN 0.676 nan 8.270 nan 0.000 0.388 57 G N 0.000 108.801 108.800 0.001 0.000 5.446 57 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 57 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 57 G CA 0.000 45.100 45.100 0.001 0.000 0.502 57 G HN 0.000 nan 8.290 nan 0.000 0.925