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 1hpt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DSLGREAKcY NELNGcTYEY RPVcGTDGDT YPNEcVLcFE NRKRQTSILI DATA SEQUENCE QKSGPc 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.298 176.300 -0.004 0.000 2.045 1 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 1 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 2 S N -1.066 114.631 115.700 -0.004 0.000 2.566 2 S HA 0.565 5.044 4.470 0.015 0.000 0.298 2 S C -0.732 173.867 174.600 -0.002 0.000 1.083 2 S CA -0.559 57.639 58.200 -0.004 0.000 0.978 2 S CB 1.593 64.788 63.200 -0.008 0.000 1.073 2 S HN 0.421 nan 8.310 nan 0.000 0.491 3 L N 2.484 123.707 121.223 0.000 0.000 2.928 3 L HA 0.549 4.898 4.340 0.015 0.000 0.246 3 L C 0.787 177.660 176.870 0.005 0.000 1.239 3 L CA 0.533 55.375 54.840 0.004 0.000 1.035 3 L CB -0.272 41.792 42.059 0.007 0.000 1.360 3 L HN 0.923 nan 8.230 nan 0.000 0.529 4 G N -0.408 108.392 108.800 0.001 0.000 2.344 4 G HA2 0.296 4.264 3.960 0.015 0.000 0.282 4 G HA3 0.296 4.264 3.960 0.015 0.000 0.282 4 G C -1.390 173.506 174.900 -0.005 0.000 1.281 4 G CA -0.748 44.352 45.100 0.001 0.000 0.877 4 G HN 0.161 nan 8.290 nan 0.000 0.494 5 R N -0.178 120.318 120.500 -0.007 0.000 2.854 5 R HA 0.761 5.110 4.340 0.015 0.000 0.271 5 R C -0.425 175.861 176.300 -0.022 0.000 0.996 5 R CA -0.779 55.312 56.100 -0.014 0.000 0.961 5 R CB 2.182 32.476 30.300 -0.010 0.000 1.182 5 R HN 0.554 nan 8.270 nan 0.000 0.479 6 E N 1.083 121.264 120.200 -0.032 0.000 2.384 6 E HA 0.194 4.553 4.350 0.015 0.000 0.266 6 E C -0.720 175.853 176.600 -0.045 0.000 1.012 6 E CA -0.290 56.083 56.400 -0.045 0.000 0.901 6 E CB 0.896 30.564 29.700 -0.053 0.000 0.967 6 E HN 0.628 nan 8.360 nan 0.000 0.435 7 A N 5.335 128.125 122.820 -0.050 0.000 2.362 7 A HA 0.231 4.560 4.320 0.015 0.000 0.276 7 A C -0.457 177.101 177.584 -0.043 0.000 1.153 7 A CA -0.512 51.506 52.037 -0.031 0.000 0.813 7 A CB 0.491 19.457 19.000 -0.057 0.000 1.081 7 A HN 0.448 nan 8.150 nan 0.000 0.507 8 K N 1.511 121.893 120.400 -0.030 0.000 2.110 8 K HA 0.327 4.656 4.320 0.015 0.000 0.263 8 K C 0.072 176.685 176.600 0.020 0.000 0.975 8 K CA -0.513 55.692 56.287 -0.137 0.000 0.895 8 K CB 1.463 33.687 32.500 -0.460 0.000 1.060 8 K HN 0.655 nan 8.250 nan 0.000 0.448 9 c N 1.162 119.742 118.600 -0.033 0.000 2.791 9 c HA 0.118 4.697 4.570 0.015 0.000 0.270 9 c C 0.013 174.254 174.090 0.252 0.000 1.257 9 c CA -0.432 55.972 56.329 0.126 0.000 1.699 9 c CB -1.734 40.703 42.510 -0.121 0.000 1.904 9 c HN 0.889 nan 8.230 nan 0.000 0.603 10 Y N 1.242 121.557 120.300 0.023 0.000 3.721 10 Y HA -0.270 4.288 4.550 0.014 0.000 0.218 10 Y C 0.942 176.862 175.900 0.033 0.000 1.188 10 Y CA 0.921 59.037 58.100 0.028 0.000 1.607 10 Y CB -2.473 36.010 38.460 0.038 0.000 1.496 10 Y HN 0.572 nan 8.280 nan 0.000 0.626 11 N N -1.249 117.497 118.700 0.077 0.000 2.741 11 N HA -0.199 4.550 4.740 0.015 0.000 0.251 11 N C -0.562 175.013 175.510 0.109 0.000 1.112 11 N CA 1.250 54.338 53.050 0.063 0.000 0.750 11 N CB -0.314 38.201 38.487 0.047 0.000 1.119 11 N HN 0.528 nan 8.380 nan 0.000 0.561 12 E N 1.271 121.581 120.200 0.184 0.000 2.299 12 E HA 0.043 4.402 4.350 0.015 0.000 0.272 12 E C 1.456 178.223 176.600 0.278 0.000 1.043 12 E CA -0.386 56.153 56.400 0.232 0.000 0.895 12 E CB 0.902 30.804 29.700 0.337 0.000 1.011 12 E HN 0.147 nan 8.360 nan 0.000 0.432 13 L N 3.576 124.903 121.223 0.174 0.000 1.961 13 L HA -0.181 4.168 4.340 0.015 0.000 0.209 13 L C 1.245 178.250 176.870 0.226 0.000 1.075 13 L CA 2.063 56.997 54.840 0.156 0.000 0.749 13 L CB -0.506 41.601 42.059 0.080 0.000 0.890 13 L HN 0.529 nan 8.230 nan 0.000 0.433 14 N N -1.922 116.851 118.700 0.122 0.000 2.454 14 N HA 0.164 4.913 4.740 0.015 0.000 0.177 14 N C 0.471 175.883 175.510 -0.162 0.000 1.049 14 N CA 0.467 53.554 53.050 0.061 0.000 0.887 14 N CB 0.984 39.472 38.487 0.002 0.000 1.095 14 N HN 0.376 nan 8.380 nan 0.000 0.446 15 G N -0.948 107.670 108.800 -0.303 0.000 2.550 15 G HA2 0.418 4.387 3.960 0.015 0.000 0.293 15 G HA3 0.418 4.387 3.960 0.015 0.000 0.293 15 G C -1.440 173.205 174.900 -0.426 0.000 1.402 15 G CA -0.643 44.078 45.100 -0.631 0.000 0.784 15 G HN 0.102 nan 8.290 nan 0.000 0.482 16 c N 0.210 118.558 118.600 -0.420 0.000 2.335 16 c HA 0.851 5.430 4.570 0.015 0.000 0.363 16 c C 1.384 175.322 174.090 -0.254 0.000 1.198 16 c CA -0.090 56.112 56.329 -0.212 0.000 2.279 16 c CB 0.845 43.290 42.510 -0.107 0.000 2.334 16 c HN 1.061 nan 8.230 nan 0.000 0.559 17 T N -1.276 113.170 114.554 -0.180 0.000 2.788 17 T HA 0.232 4.590 4.350 0.015 0.000 0.280 17 T C -0.351 174.279 174.700 -0.117 0.000 0.984 17 T CA 0.014 61.971 62.100 -0.238 0.000 0.972 17 T CB 0.214 69.011 68.868 -0.118 0.000 1.039 17 T HN 0.554 nan 8.240 nan 0.000 0.530 18 Y N -0.217 120.081 120.300 -0.005 0.000 2.801 18 Y HA 0.380 4.923 4.550 -0.011 0.000 0.340 18 Y C 1.003 176.928 175.900 0.042 0.000 1.088 18 Y CA -1.376 56.735 58.100 0.019 0.000 1.444 18 Y CB -0.889 37.577 38.460 0.011 0.000 1.251 18 Y HN 0.735 nan 8.280 nan 0.000 0.522 19 E N 0.580 120.866 120.200 0.144 0.000 2.344 19 E HA -0.036 4.322 4.350 0.015 0.000 0.270 19 E C -1.189 175.499 176.600 0.147 0.000 1.021 19 E CA -0.407 56.056 56.400 0.104 0.000 0.887 19 E CB 0.513 30.224 29.700 0.017 0.000 0.997 19 E HN 0.313 nan 8.360 nan 0.000 0.429 20 Y N 5.644 125.961 120.300 0.030 0.000 2.477 20 Y HA 0.219 4.776 4.550 0.012 0.000 0.349 20 Y C -0.458 175.450 175.900 0.012 0.000 0.977 20 Y CA -0.412 57.702 58.100 0.024 0.000 1.214 20 Y CB 0.355 38.824 38.460 0.016 0.000 1.124 20 Y HN 0.475 nan 8.280 nan 0.000 0.521 21 R N 8.023 128.315 120.500 -0.348 0.000 2.855 21 R HA 0.348 4.696 4.340 0.015 0.000 0.261 21 R C -3.226 172.890 176.300 -0.307 0.000 1.826 21 R CA -1.816 54.110 56.100 -0.289 0.000 1.435 21 R CB 0.818 31.033 30.300 -0.142 0.000 1.383 21 R HN 0.396 nan 8.270 nan 0.000 0.583 22 P HA 0.033 nan 4.420 nan 0.000 0.271 22 P C -0.540 176.699 177.300 -0.101 0.000 1.216 22 P CA -0.227 62.697 63.100 -0.294 0.000 0.776 22 P CB 1.170 32.670 31.700 -0.334 0.000 0.881 23 V N 0.472 120.387 119.914 0.001 0.000 2.914 23 V HA 0.535 4.664 4.120 0.015 0.000 0.314 23 V C -0.617 175.546 176.094 0.114 0.000 1.084 23 V CA -1.074 61.256 62.300 0.049 0.000 0.963 23 V CB 1.726 33.585 31.823 0.060 0.000 1.025 23 V HN 0.699 nan 8.190 nan 0.000 0.432 24 c N 3.942 122.596 118.600 0.090 0.000 2.325 24 c HA 0.823 5.402 4.570 0.015 0.000 0.347 24 c C 1.091 175.265 174.090 0.141 0.000 1.263 24 c CA 0.494 56.887 56.329 0.108 0.000 1.806 24 c CB -0.748 41.797 42.510 0.059 0.000 2.405 24 c HN 1.407 nan 8.230 nan 0.000 0.537 25 G N 3.812 112.755 108.800 0.239 0.000 2.537 25 G HA2 0.392 4.361 3.960 0.015 0.000 0.273 25 G HA3 0.392 4.361 3.960 0.015 0.000 0.273 25 G C 0.939 175.910 174.900 0.119 0.000 1.189 25 G CA 0.405 45.620 45.100 0.192 0.000 0.881 25 G HN 0.967 nan 8.290 nan 0.000 0.535 26 T N -1.813 112.782 114.554 0.070 0.000 3.113 26 T HA -0.085 4.274 4.350 0.015 0.000 0.263 26 T C 1.308 176.043 174.700 0.059 0.000 1.143 26 T CA 1.272 63.403 62.100 0.050 0.000 1.090 26 T CB -0.045 68.839 68.868 0.027 0.000 0.922 26 T HN 0.557 nan 8.240 nan 0.000 0.521 27 D N 0.891 121.345 120.400 0.092 0.000 2.340 27 D HA 0.174 4.823 4.640 0.015 0.000 0.220 27 D C 1.695 178.041 176.300 0.076 0.000 1.039 27 D CA 0.573 54.627 54.000 0.088 0.000 0.866 27 D CB -0.754 40.121 40.800 0.125 0.000 0.913 27 D HN 0.542 nan 8.370 nan 0.000 0.523 28 G N 0.104 108.951 108.800 0.078 0.000 2.176 28 G HA2 -0.226 3.742 3.960 0.015 0.000 0.253 28 G HA3 -0.226 3.742 3.960 0.015 0.000 0.253 28 G C -0.445 174.475 174.900 0.033 0.000 0.979 28 G CA 0.136 45.265 45.100 0.050 0.000 0.641 28 G HN 0.410 nan 8.290 nan 0.000 0.530 29 D N 1.004 121.431 120.400 0.045 0.000 2.177 29 D HA 0.553 5.201 4.640 0.015 0.000 0.247 29 D C 0.440 176.664 176.300 -0.127 0.000 1.063 29 D CA 0.149 54.098 54.000 -0.086 0.000 0.867 29 D CB 1.301 41.962 40.800 -0.231 0.000 1.168 29 D HN 0.044 nan 8.370 nan 0.000 0.445 30 T N 2.054 116.498 114.554 -0.183 0.000 2.832 30 T HA 0.231 4.589 4.350 0.015 0.000 0.296 30 T C -0.315 174.173 174.700 -0.354 0.000 0.968 30 T CA -0.007 62.017 62.100 -0.126 0.000 1.107 30 T CB 0.111 68.949 68.868 -0.050 0.000 0.916 30 T HN 0.117 nan 8.240 nan 0.000 0.517 31 Y N 3.117 123.428 120.300 0.019 0.000 2.352 31 Y HA 0.317 4.874 4.550 0.011 0.000 0.339 31 Y C -1.668 174.236 175.900 0.007 0.000 0.992 31 Y CA -2.555 55.562 58.100 0.028 0.000 1.100 31 Y CB 1.638 40.117 38.460 0.032 0.000 1.192 31 Y HN 0.484 nan 8.280 nan 0.000 0.458 32 P HA -0.129 nan 4.420 nan 0.000 0.219 32 P C -0.934 176.355 177.300 -0.018 0.000 1.146 32 P CA 1.410 64.570 63.100 0.099 0.000 0.808 32 P CB 0.226 32.054 31.700 0.213 0.000 0.779 33 N N -3.611 115.124 118.700 0.058 0.000 2.745 33 N HA 0.043 4.792 4.740 0.015 0.000 0.256 33 N C 0.356 175.907 175.510 0.069 0.000 1.268 33 N CA -0.837 52.220 53.050 0.011 0.000 0.887 33 N CB 0.225 38.713 38.487 0.001 0.000 1.575 33 N HN -0.269 nan 8.380 nan 0.000 0.496 34 E N 0.003 120.228 120.200 0.042 0.000 2.097 34 E HA -0.300 4.059 4.350 0.015 0.000 0.196 34 E C 1.156 177.830 176.600 0.123 0.000 1.000 34 E CA 1.966 58.415 56.400 0.083 0.000 0.804 34 E CB -0.097 29.683 29.700 0.133 0.000 0.740 34 E HN 0.630 nan 8.360 nan 0.000 0.454 35 c N 0.220 118.913 118.600 0.155 0.000 2.435 35 c HA -0.056 4.523 4.570 0.015 0.000 0.279 35 c C 2.749 177.005 174.090 0.276 0.000 1.321 35 c CA 1.050 57.531 56.329 0.254 0.000 1.752 35 c CB -1.104 41.544 42.510 0.229 0.000 1.959 35 c HN 0.552 nan 8.230 nan 0.000 0.500 36 V N -0.137 119.892 119.914 0.191 0.000 2.626 36 V HA -0.081 4.048 4.120 0.015 0.000 0.252 36 V C 2.212 178.408 176.094 0.170 0.000 1.067 36 V CA 2.018 64.439 62.300 0.202 0.000 1.081 36 V CB -1.083 30.863 31.823 0.204 0.000 0.686 36 V HN 0.667 nan 8.190 nan 0.000 0.468 37 L N -0.348 120.890 121.223 0.026 0.000 2.027 37 L HA -0.145 4.204 4.340 0.015 0.000 0.206 37 L C 2.773 179.583 176.870 -0.100 0.000 1.074 37 L CA 2.235 56.910 54.840 -0.276 0.000 0.745 37 L CB -0.429 41.325 42.059 -0.508 0.000 0.898 37 L HN 0.614 nan 8.230 nan 0.000 0.433 38 c N -0.059 118.541 118.600 0.001 0.000 2.413 38 c HA -0.248 4.331 4.570 0.015 0.000 0.276 38 c C 2.637 176.704 174.090 -0.039 0.000 1.236 38 c CA 0.792 57.104 56.329 -0.029 0.000 1.735 38 c CB -1.206 41.298 42.510 -0.010 0.000 2.031 38 c HN 0.540 nan 8.230 nan 0.000 0.474 39 F N 0.979 120.929 119.950 0.001 0.000 2.269 39 F HA -0.043 4.504 4.527 0.032 0.000 0.301 39 F C 2.357 178.163 175.800 0.011 0.000 1.082 39 F CA 1.931 59.938 58.000 0.013 0.000 1.360 39 F CB -0.470 38.549 39.000 0.031 0.000 1.041 39 F HN 0.272 nan 8.300 nan 0.000 0.512 40 E N 0.528 120.833 120.200 0.174 0.000 2.072 40 E HA -0.167 4.192 4.350 0.015 0.000 0.191 40 E C 1.899 178.527 176.600 0.047 0.000 0.985 40 E CA 1.330 57.797 56.400 0.111 0.000 0.801 40 E CB -0.325 29.434 29.700 0.100 0.000 0.750 40 E HN 0.159 nan 8.360 nan 0.000 0.452 41 N N 0.252 118.948 118.700 -0.008 0.000 2.188 41 N HA -0.089 4.660 4.740 0.015 0.000 0.184 41 N C 1.746 177.239 175.510 -0.027 0.000 1.018 41 N CA 0.930 53.961 53.050 -0.032 0.000 0.858 41 N CB -0.183 38.264 38.487 -0.066 0.000 0.989 41 N HN 0.177 nan 8.380 nan 0.000 0.426 42 R N 0.948 121.422 120.500 -0.043 0.000 2.096 42 R HA -0.001 4.348 4.340 0.015 0.000 0.235 42 R C 1.890 178.190 176.300 0.001 0.000 1.127 42 R CA 1.111 57.180 56.100 -0.052 0.000 0.968 42 R CB -0.035 30.191 30.300 -0.123 0.000 0.861 42 R HN 0.237 nan 8.270 nan 0.000 0.440 43 K N -0.157 120.270 120.400 0.044 0.000 2.228 43 K HA -0.011 4.317 4.320 0.015 0.000 0.202 43 K C 1.854 178.479 176.600 0.041 0.000 1.051 43 K CA 0.843 57.166 56.287 0.058 0.000 0.960 43 K CB 0.201 32.756 32.500 0.092 0.000 0.743 43 K HN 0.064 nan 8.250 nan 0.000 0.458 44 R N -0.022 120.499 120.500 0.035 0.000 2.365 44 R HA 0.109 4.458 4.340 0.015 0.000 0.223 44 R C -0.297 176.013 176.300 0.015 0.000 0.899 44 R CA 0.019 56.136 56.100 0.029 0.000 1.059 44 R CB 0.730 31.052 30.300 0.037 0.000 1.086 44 R HN 0.033 nan 8.270 nan 0.000 0.522 45 Q N 0.897 120.700 119.800 0.005 0.000 2.463 45 Q HA -0.128 4.221 4.340 0.015 0.000 0.299 45 Q C -0.446 175.552 176.000 -0.004 0.000 1.353 45 Q CA 1.496 57.295 55.803 -0.005 0.000 0.828 45 Q CB -2.129 26.607 28.738 -0.003 0.000 1.157 45 Q HN 0.520 nan 8.270 nan 0.000 0.436 46 T N -3.226 111.324 114.554 -0.005 0.000 2.922 46 T HA 0.741 5.100 4.350 0.015 0.000 0.281 46 T C 0.640 175.329 174.700 -0.019 0.000 1.005 46 T CA -0.161 61.937 62.100 -0.005 0.000 0.982 46 T CB 1.975 70.848 68.868 0.008 0.000 1.158 46 T HN 0.311 nan 8.240 nan 0.000 0.566 47 S N -0.020 115.668 115.700 -0.019 0.000 2.569 47 S HA 0.316 4.794 4.470 0.015 0.000 0.215 47 S C -0.175 174.407 174.600 -0.030 0.000 1.096 47 S CA -0.873 57.309 58.200 -0.029 0.000 1.183 47 S CB -0.445 62.741 63.200 -0.023 0.000 1.324 47 S HN 0.619 nan 8.310 nan 0.000 0.421 48 I N 2.555 123.101 120.570 -0.041 0.000 2.598 48 I HA 0.258 4.437 4.170 0.015 0.000 0.284 48 I C 0.544 176.622 176.117 -0.064 0.000 1.140 48 I CA -0.066 61.208 61.300 -0.043 0.000 1.420 48 I CB -0.226 37.731 38.000 -0.072 0.000 1.387 48 I HN 0.460 nan 8.210 nan 0.000 0.553 49 L N 6.305 127.507 121.223 -0.036 0.000 2.397 49 L HA 0.568 4.916 4.340 0.015 0.000 0.266 49 L C 0.082 176.936 176.870 -0.026 0.000 1.040 49 L CA -0.994 53.824 54.840 -0.036 0.000 0.800 49 L CB 1.173 43.221 42.059 -0.019 0.000 1.324 49 L HN 0.321 nan 8.230 nan 0.000 0.469 50 I N 0.374 120.935 120.570 -0.015 0.000 2.315 50 I HA 0.106 4.284 4.170 0.015 0.000 0.291 50 I C 0.856 176.982 176.117 0.015 0.000 1.006 50 I CA -0.076 61.228 61.300 0.006 0.000 1.265 50 I CB 1.575 39.581 38.000 0.009 0.000 1.387 50 I HN 0.680 nan 8.210 nan 0.000 0.475 51 Q N 5.600 125.416 119.800 0.027 0.000 2.049 51 Q HA -0.060 4.288 4.340 0.015 0.000 0.198 51 Q C 0.014 176.027 176.000 0.020 0.000 0.971 51 Q CA 1.235 57.052 55.803 0.024 0.000 0.833 51 Q CB 0.274 29.030 28.738 0.031 0.000 0.896 51 Q HN 0.664 nan 8.270 nan 0.000 0.434 52 K N -1.981 118.434 120.400 0.025 0.000 2.735 52 K HA 0.406 4.735 4.320 0.015 0.000 0.295 52 K C -1.262 175.351 176.600 0.021 0.000 1.052 52 K CA -0.683 55.616 56.287 0.020 0.000 0.853 52 K CB 0.963 33.473 32.500 0.017 0.000 1.535 52 K HN -0.235 nan 8.250 nan 0.000 0.383 53 S N -0.509 115.199 115.700 0.013 0.000 2.652 53 S HA 0.819 5.298 4.470 0.015 0.000 0.270 53 S C -0.016 174.583 174.600 -0.001 0.000 1.243 53 S CA 0.410 58.612 58.200 0.004 0.000 0.999 53 S CB 1.063 64.262 63.200 -0.002 0.000 0.973 53 S HN 1.139 nan 8.310 nan 0.000 0.544 54 G N 1.673 110.461 108.800 -0.019 0.000 2.662 54 G HA2 -0.052 3.917 3.960 0.015 0.000 0.686 54 G HA3 -0.052 3.917 3.960 0.015 0.000 0.686 54 G C -3.495 171.398 174.900 -0.012 0.000 1.271 54 G CA -1.329 43.759 45.100 -0.020 0.000 0.816 54 G HN 0.513 nan 8.290 nan 0.000 0.608 55 P HA 0.358 nan 4.420 nan 0.000 0.270 55 P C 0.759 178.069 177.300 0.017 0.000 1.227 55 P CA -0.360 62.747 63.100 0.012 0.000 0.788 55 P CB 0.404 32.123 31.700 0.032 0.000 0.926 56 c N 0.000 118.611 118.600 0.018 0.000 0.000 56 c HA 0.000 4.579 4.570 0.015 0.000 0.000 56 c CA 0.000 56.340 56.329 0.019 0.000 0.000 56 c CB 0.000 42.521 42.510 0.018 0.000 0.000 56 c HN 0.000 nan 8.230 nan 0.000 0.000