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 3ep8_1_B DATA FIRST_RESID 4 DATA SEQUENCE AHFFEGTEKL LEVWFSXXXX XXXQGSGDLR TIPRSEWDIL LKDVQCSIIS DATA SEQUENCE VTKTDKQEAY VLSE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.682 177.584 0.163 0.000 1.274 4 A CA 0.000 52.102 52.037 0.108 0.000 0.836 4 A CB 0.000 19.049 19.000 0.082 0.000 0.831 5 H N 1.746 120.880 119.070 0.106 0.000 3.038 5 H HA 0.385 4.941 4.556 -0.000 0.000 0.338 5 H C -1.353 174.114 175.328 0.231 0.000 1.041 5 H CA 1.717 57.847 56.048 0.137 0.000 1.394 5 H CB 0.374 30.190 29.762 0.090 0.000 1.357 5 H HN 0.791 nan 8.280 nan 0.000 0.600 6 F N 5.979 125.571 119.950 -0.597 0.000 2.650 6 F HA 0.349 4.876 4.527 -0.000 0.000 0.310 6 F C -2.297 173.302 175.800 -0.334 0.000 1.112 6 F CA -0.975 56.799 58.000 -0.378 0.000 0.986 6 F CB 1.229 40.137 39.000 -0.154 0.000 1.285 6 F HN 0.452 nan 8.300 nan 0.000 0.440 7 F N 4.798 123.972 119.950 -1.294 0.000 2.557 7 F HA 0.462 4.989 4.527 -0.000 0.000 0.316 7 F C -0.913 174.244 175.800 -1.073 0.000 1.141 7 F CA -0.598 56.891 58.000 -0.851 0.000 0.922 7 F CB 1.451 40.199 39.000 -0.420 0.000 1.194 7 F HN 0.507 nan 8.300 nan 0.000 0.443 8 E N 3.660 123.111 120.200 -1.247 0.000 1.932 8 E HA 0.314 4.663 4.350 -0.000 0.000 0.275 8 E C 1.013 177.245 176.600 -0.613 0.000 1.159 8 E CA 0.373 56.364 56.400 -0.682 0.000 0.905 8 E CB 0.811 30.332 29.700 -0.298 0.000 1.059 8 E HN 0.793 nan 8.360 nan 0.000 0.400 9 G N 3.382 112.049 108.800 -0.220 0.000 2.422 9 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 9 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 9 G C 0.576 175.470 174.900 -0.011 0.000 1.140 9 G CA 0.340 45.459 45.100 0.031 0.000 0.775 9 G HN 0.520 nan 8.290 nan 0.000 0.545 10 T N 1.974 116.503 114.554 -0.043 0.000 2.866 10 T HA 0.243 4.593 4.350 -0.000 0.000 0.293 10 T C -0.045 174.636 174.700 -0.032 0.000 1.005 10 T CA 0.507 62.595 62.100 -0.020 0.000 1.162 10 T CB 0.839 69.701 68.868 -0.010 0.000 0.968 10 T HN 0.370 nan 8.240 nan 0.000 0.530 11 E N 2.105 122.299 120.200 -0.009 0.000 2.250 11 E HA 0.393 4.743 4.350 -0.000 0.000 0.269 11 E C -0.230 176.365 176.600 -0.008 0.000 1.018 11 E CA -0.833 55.562 56.400 -0.008 0.000 0.873 11 E CB 1.150 30.855 29.700 0.007 0.000 1.134 11 E HN 0.424 nan 8.360 nan 0.000 0.403 12 K N 1.424 121.818 120.400 -0.009 0.000 2.213 12 K HA 0.436 4.756 4.320 -0.000 0.000 0.270 12 K C -1.142 175.457 176.600 -0.002 0.000 1.002 12 K CA -0.815 55.469 56.287 -0.006 0.000 0.868 12 K CB 1.035 33.530 32.500 -0.008 0.000 1.093 12 K HN 0.189 nan 8.250 nan 0.000 0.454 13 L N 4.330 125.553 121.223 0.001 0.000 2.362 13 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 13 L C -1.793 175.079 176.870 0.003 0.000 0.998 13 L CA -0.919 53.922 54.840 0.002 0.000 0.820 13 L CB 1.509 43.571 42.059 0.006 0.000 1.270 13 L HN 0.554 nan 8.230 nan 0.000 0.415 14 L N 4.514 125.737 121.223 -0.001 0.000 2.381 14 L HA 0.634 4.974 4.340 -0.000 0.000 0.274 14 L C -1.056 175.811 176.870 -0.005 0.000 0.988 14 L CA 0.004 54.844 54.840 0.001 0.000 0.824 14 L CB 1.687 43.747 42.059 0.002 0.000 1.263 14 L HN 0.806 nan 8.230 nan 0.000 0.410 15 E N 4.215 124.419 120.200 0.006 0.000 2.241 15 E HA 0.652 5.002 4.350 -0.000 0.000 0.263 15 E C -1.979 174.624 176.600 0.006 0.000 0.882 15 E CA -0.644 55.759 56.400 0.004 0.000 0.769 15 E CB 1.804 31.543 29.700 0.065 0.000 1.185 15 E HN 0.491 nan 8.360 nan 0.000 0.415 16 V N 4.378 124.245 119.914 -0.079 0.000 2.588 16 V HA 0.460 4.580 4.120 -0.000 0.000 0.304 16 V C -1.106 174.825 176.094 -0.271 0.000 1.042 16 V CA -0.773 61.419 62.300 -0.179 0.000 0.877 16 V CB 1.323 32.940 31.823 -0.344 0.000 0.996 16 V HN 0.664 nan 8.190 nan 0.000 0.425 17 W N 3.607 124.726 121.300 -0.301 0.000 2.475 17 W HA 0.743 5.403 4.660 -0.000 0.000 0.317 17 W C -0.492 175.859 176.519 -0.280 0.000 1.046 17 W CA -0.417 56.829 57.345 -0.166 0.000 1.215 17 W CB 1.408 30.825 29.460 -0.071 0.000 1.335 17 W HN 0.375 nan 8.180 nan 0.000 0.471 18 F N 1.939 122.010 119.950 0.201 0.000 2.450 18 F HA 0.724 5.250 4.527 -0.000 0.000 0.328 18 F C 0.856 176.740 175.800 0.140 0.000 1.068 18 F CA -0.262 57.820 58.000 0.137 0.000 1.007 18 F CB 1.593 40.640 39.000 0.079 0.000 1.251 18 F HN 0.118 nan 8.300 nan 0.000 0.492 28 G N 0.827 109.615 108.800 -0.019 0.000 2.795 28 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.664 28 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.664 28 G C 0.222 175.109 174.900 -0.021 0.000 1.381 28 G CA -0.167 44.916 45.100 -0.028 0.000 0.853 28 G HN 0.194 nan 8.290 nan 0.000 0.545 29 S N -0.059 115.624 115.700 -0.027 0.000 2.414 29 S HA 0.305 4.775 4.470 -0.000 0.000 0.227 29 S C 2.324 176.921 174.600 -0.006 0.000 1.022 29 S CA 1.798 59.988 58.200 -0.016 0.000 0.958 29 S CB -0.216 62.972 63.200 -0.021 0.000 0.797 29 S HN 2.648 nan 8.310 nan 0.000 0.493 30 G N 1.622 110.416 108.800 -0.010 0.000 2.143 30 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 30 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 30 G C -0.374 174.534 174.900 0.015 0.000 0.991 30 G CA 0.294 45.399 45.100 0.008 0.000 0.689 30 G HN 0.501 nan 8.290 nan 0.000 0.522 31 D N -0.597 119.803 120.400 -0.000 0.000 2.763 31 D HA 0.356 4.996 4.640 -0.000 0.000 0.235 31 D C 1.486 177.788 176.300 0.004 0.000 1.334 31 D CA -0.699 53.309 54.000 0.013 0.000 0.950 31 D CB 0.963 41.776 40.800 0.020 0.000 1.433 31 D HN -0.014 nan 8.370 nan 0.000 0.580 32 L N 2.801 124.033 121.223 0.014 0.000 2.265 32 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 32 L C 2.178 179.129 176.870 0.135 0.000 1.117 32 L CA 0.792 55.657 54.840 0.042 0.000 0.782 32 L CB -0.034 42.073 42.059 0.079 0.000 0.914 32 L HN 0.232 nan 8.230 nan 0.000 0.441 33 R N -0.916 119.653 120.500 0.116 0.000 2.316 33 R HA -0.061 4.279 4.340 -0.000 0.000 0.202 33 R C 1.923 178.293 176.300 0.117 0.000 1.029 33 R CA 0.989 57.181 56.100 0.154 0.000 1.018 33 R CB -0.303 30.060 30.300 0.104 0.000 0.888 33 R HN 0.280 nan 8.270 nan 0.000 0.471 34 T N 0.950 115.535 114.554 0.053 0.000 2.995 34 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 34 T C 0.886 175.565 174.700 -0.034 0.000 1.091 34 T CA 0.459 62.563 62.100 0.007 0.000 1.128 34 T CB 0.030 68.885 68.868 -0.021 0.000 0.891 34 T HN 0.107 nan 8.240 nan 0.000 0.492 35 I N 4.494 125.026 120.570 -0.065 0.000 2.664 35 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 35 I C -1.775 174.209 176.117 -0.221 0.000 1.154 35 I CA -1.778 59.360 61.300 -0.269 0.000 1.402 35 I CB 0.360 38.022 38.000 -0.564 0.000 1.395 35 I HN 0.033 nan 8.210 nan 0.000 0.545 36 P HA 0.050 nan 4.420 nan 0.000 0.272 36 P C 0.266 177.511 177.300 -0.092 0.000 1.230 36 P CA -0.480 62.562 63.100 -0.097 0.000 0.788 36 P CB 0.852 32.499 31.700 -0.089 0.000 0.949 37 R N 1.892 122.456 120.500 0.105 0.000 2.105 37 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 37 R C 2.010 178.373 176.300 0.104 0.000 1.135 37 R CA 2.292 58.524 56.100 0.221 0.000 0.967 37 R CB -1.444 28.977 30.300 0.202 0.000 0.861 37 R HN 0.417 nan 8.270 nan 0.000 0.442 38 S N 0.760 116.470 115.700 0.017 0.000 2.365 38 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 38 S C 1.580 176.149 174.600 -0.052 0.000 1.039 38 S CA 1.555 59.748 58.200 -0.012 0.000 1.033 38 S CB -0.290 62.889 63.200 -0.035 0.000 0.887 38 S HN 0.407 nan 8.310 nan 0.000 0.447 39 E N 0.273 120.376 120.200 -0.161 0.000 2.072 39 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 39 E C 1.811 178.297 176.600 -0.189 0.000 0.985 39 E CA 0.816 57.065 56.400 -0.252 0.000 0.801 39 E CB -0.344 29.079 29.700 -0.463 0.000 0.750 39 E HN 0.717 nan 8.360 nan 0.000 0.452 40 W N 1.717 122.976 121.300 -0.069 0.000 2.363 40 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 40 W C 1.978 178.445 176.519 -0.086 0.000 1.212 40 W CA 0.386 57.663 57.345 -0.113 0.000 1.260 40 W CB -0.034 29.307 29.460 -0.198 0.000 1.131 40 W HN 0.019 nan 8.180 nan 0.000 0.530 41 D N 0.407 120.908 120.400 0.169 0.000 2.117 41 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 41 D C 2.022 178.360 176.300 0.063 0.000 0.987 41 D CA 1.434 55.491 54.000 0.096 0.000 0.829 41 D CB -0.562 40.280 40.800 0.071 0.000 0.961 41 D HN 0.191 nan 8.370 nan 0.000 0.460 42 I N 0.605 121.198 120.570 0.038 0.000 2.202 42 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 42 I C 2.576 178.711 176.117 0.030 0.000 1.091 42 I CA 0.454 61.764 61.300 0.017 0.000 1.368 42 I CB -0.143 37.848 38.000 -0.015 0.000 1.058 42 I HN -0.023 nan 8.210 nan 0.000 0.410 43 L N 0.758 122.011 121.223 0.050 0.000 2.012 43 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 43 L C 2.321 179.237 176.870 0.078 0.000 1.073 43 L CA 1.680 56.567 54.840 0.078 0.000 0.748 43 L CB -0.184 41.974 42.059 0.166 0.000 0.891 43 L HN 0.190 nan 8.230 nan 0.000 0.431 44 L N -0.478 120.795 121.223 0.084 0.000 2.549 44 L HA -0.158 4.182 4.340 -0.000 0.000 0.229 44 L C 2.383 179.276 176.870 0.039 0.000 1.158 44 L CA 0.522 55.393 54.840 0.052 0.000 0.842 44 L CB -0.553 41.529 42.059 0.038 0.000 0.952 44 L HN 0.287 nan 8.230 nan 0.000 0.452 45 K N 0.316 120.739 120.400 0.038 0.000 1.977 45 K HA -0.206 4.114 4.320 -0.000 0.000 0.218 45 K C 1.600 178.216 176.600 0.026 0.000 1.051 45 K CA 1.900 58.205 56.287 0.029 0.000 0.953 45 K CB -0.314 32.199 32.500 0.023 0.000 0.727 45 K HN 0.195 nan 8.250 nan 0.000 0.445 46 D N 0.592 121.007 120.400 0.026 0.000 2.190 46 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 46 D C 1.866 178.180 176.300 0.023 0.000 0.992 46 D CA 0.919 54.932 54.000 0.023 0.000 0.854 46 D CB -0.273 40.541 40.800 0.023 0.000 0.936 46 D HN -0.011 nan 8.370 nan 0.000 0.462 47 V N -0.181 119.748 119.914 0.026 0.000 2.809 47 V HA -0.148 3.972 4.120 -0.000 0.000 0.256 47 V C 0.604 176.711 176.094 0.023 0.000 1.080 47 V CA 0.737 63.050 62.300 0.022 0.000 1.102 47 V CB -0.722 31.114 31.823 0.022 0.000 0.705 47 V HN 0.333 nan 8.190 nan 0.000 0.475 48 Q N -0.788 119.028 119.800 0.026 0.000 2.464 48 Q HA -0.179 4.161 4.340 -0.000 0.000 0.286 48 Q C -0.251 175.771 176.000 0.037 0.000 1.343 48 Q CA 0.461 56.282 55.803 0.030 0.000 0.772 48 Q CB -1.909 26.846 28.738 0.029 0.000 1.160 48 Q HN 0.894 nan 8.270 nan 0.000 0.422 49 C N -2.434 116.886 119.300 0.034 0.000 3.311 49 C HA 0.930 5.390 4.460 -0.000 0.000 0.325 49 C C -0.122 174.887 174.990 0.031 0.000 1.352 49 C CA 0.031 59.071 59.018 0.036 0.000 1.308 49 C CB 2.179 29.941 27.740 0.036 0.000 1.619 49 C HN 0.613 nan 8.230 nan 0.000 0.469 50 S N 0.289 116.008 115.700 0.031 0.000 2.651 50 S HA 0.793 5.263 4.470 -0.000 0.000 0.279 50 S C -1.007 173.614 174.600 0.035 0.000 1.148 50 S CA -0.777 57.443 58.200 0.033 0.000 0.837 50 S CB 0.900 64.122 63.200 0.037 0.000 1.138 50 S HN 0.944 nan 8.310 nan 0.000 0.478 51 I N 1.672 122.271 120.570 0.049 0.000 2.416 51 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 51 I C 0.905 177.066 176.117 0.074 0.000 1.051 51 I CA -0.423 60.927 61.300 0.082 0.000 1.375 51 I CB 0.839 38.925 38.000 0.144 0.000 1.407 51 I HN 0.768 nan 8.210 nan 0.000 0.516 52 I N 0.826 121.433 120.570 0.063 0.000 4.181 52 I HA 0.364 4.534 4.170 -0.000 0.000 0.331 52 I C 0.216 176.352 176.117 0.031 0.000 1.312 52 I CA 0.124 61.447 61.300 0.039 0.000 1.146 52 I CB 0.473 38.486 38.000 0.021 0.000 1.074 52 I HN 0.368 nan 8.210 nan 0.000 0.402 53 S N 0.406 116.130 115.700 0.040 0.000 2.537 53 S HA 0.705 5.174 4.470 -0.000 0.000 0.271 53 S C -0.813 173.767 174.600 -0.034 0.000 1.148 53 S CA -0.557 57.644 58.200 0.002 0.000 0.868 53 S CB 2.846 66.036 63.200 -0.016 0.000 1.115 53 S HN 0.025 nan 8.310 nan 0.000 0.461 54 V N 1.688 121.533 119.914 -0.115 0.000 2.760 54 V HA 0.762 4.882 4.120 -0.000 0.000 0.309 54 V C -0.728 175.218 176.094 -0.246 0.000 1.077 54 V CA -0.536 61.575 62.300 -0.314 0.000 0.910 54 V CB 2.192 33.810 31.823 -0.342 0.000 1.008 54 V HN 0.918 nan 8.190 nan 0.000 0.424 55 T N 4.314 118.690 114.554 -0.296 0.000 2.928 55 T HA 0.518 4.868 4.350 -0.000 0.000 0.296 55 T C -0.821 173.760 174.700 -0.199 0.000 1.000 55 T CA -0.792 61.198 62.100 -0.184 0.000 0.989 55 T CB 1.487 70.280 68.868 -0.125 0.000 1.005 55 T HN 0.638 nan 8.240 nan 0.000 0.442 56 K N 2.057 122.373 120.400 -0.141 0.000 2.324 56 K HA 0.759 5.079 4.320 -0.000 0.000 0.253 56 K C 0.039 176.601 176.600 -0.064 0.000 0.932 56 K CA -0.948 55.273 56.287 -0.109 0.000 0.799 56 K CB 2.048 34.492 32.500 -0.092 0.000 1.154 56 K HN 0.721 nan 8.250 nan 0.000 0.425 57 T N -2.571 111.954 114.554 -0.049 0.000 2.883 57 T HA 0.171 4.521 4.350 -0.000 0.000 0.284 57 T C 0.777 175.467 174.700 -0.017 0.000 1.041 57 T CA -0.618 61.464 62.100 -0.030 0.000 1.007 57 T CB 1.375 70.228 68.868 -0.025 0.000 1.220 57 T HN 0.519 nan 8.240 nan 0.000 0.552 58 D N -0.223 120.172 120.400 -0.008 0.000 2.123 58 D HA -0.055 4.584 4.640 -0.000 0.000 0.196 58 D C 1.783 178.086 176.300 0.005 0.000 0.992 58 D CA 1.408 55.408 54.000 -0.000 0.000 0.833 58 D CB 0.077 40.879 40.800 0.003 0.000 0.954 58 D HN 0.571 nan 8.370 nan 0.000 0.455 59 K N -0.984 119.418 120.400 0.004 0.000 2.323 59 K HA 0.089 4.409 4.320 -0.000 0.000 0.197 59 K C 0.319 176.920 176.600 0.002 0.000 1.043 59 K CA 0.251 56.544 56.287 0.009 0.000 0.997 59 K CB 0.417 32.926 32.500 0.016 0.000 0.807 59 K HN 0.359 nan 8.250 nan 0.000 0.497 60 Q N 0.160 119.955 119.800 -0.009 0.000 2.522 60 Q HA 0.325 4.665 4.340 -0.000 0.000 0.285 60 Q C -1.726 174.255 176.000 -0.033 0.000 0.982 60 Q CA -0.893 54.900 55.803 -0.017 0.000 0.805 60 Q CB 1.493 30.216 28.738 -0.025 0.000 1.457 60 Q HN -0.104 nan 8.270 nan 0.000 0.394 61 E N 0.513 120.697 120.200 -0.027 0.000 2.166 61 E HA 0.685 5.035 4.350 -0.000 0.000 0.275 61 E C -1.251 175.291 176.600 -0.097 0.000 0.941 61 E CA -0.861 55.485 56.400 -0.090 0.000 0.784 61 E CB 2.024 31.710 29.700 -0.023 0.000 1.115 61 E HN 0.611 nan 8.360 nan 0.000 0.399 62 A N 3.314 126.000 122.820 -0.224 0.000 2.342 62 A HA 0.653 4.973 4.320 -0.000 0.000 0.323 62 A C -1.570 175.839 177.584 -0.292 0.000 1.125 62 A CA -0.531 51.426 52.037 -0.134 0.000 0.785 62 A CB 0.522 19.468 19.000 -0.089 0.000 1.221 62 A HN 0.546 nan 8.150 nan 0.000 0.463 63 Y N 0.623 120.859 120.300 -0.106 0.000 2.425 63 Y HA 0.522 5.072 4.550 -0.000 0.000 0.344 63 Y C -0.074 175.781 175.900 -0.074 0.000 0.969 63 Y CA -0.955 57.088 58.100 -0.095 0.000 1.052 63 Y CB 2.167 40.544 38.460 -0.138 0.000 1.215 63 Y HN 0.406 nan 8.280 nan 0.000 0.451 64 V N 4.956 124.926 119.914 0.092 0.000 2.427 64 V HA 0.484 4.604 4.120 -0.000 0.000 0.286 64 V C -0.145 175.983 176.094 0.056 0.000 1.034 64 V CA -0.729 61.599 62.300 0.047 0.000 0.893 64 V CB 1.220 33.052 31.823 0.015 0.000 0.982 64 V HN 0.591 nan 8.190 nan 0.000 0.452 65 L N 3.220 124.465 121.223 0.036 0.000 2.313 65 L HA 0.818 5.158 4.340 -0.000 0.000 0.268 65 L C -0.032 176.855 176.870 0.028 0.000 1.010 65 L CA -0.366 54.492 54.840 0.031 0.000 0.814 65 L CB 2.190 44.259 42.059 0.016 0.000 1.304 65 L HN 0.609 nan 8.230 nan 0.000 0.441 66 S N -1.003 114.716 115.700 0.031 0.000 2.579 66 S HA 0.372 4.842 4.470 -0.000 0.000 0.272 66 S C -1.001 173.627 174.600 0.047 0.000 1.141 66 S CA -0.884 57.334 58.200 0.031 0.000 0.843 66 S CB 2.403 65.610 63.200 0.013 0.000 1.122 66 S HN 0.504 nan 8.310 nan 0.000 0.468 67 E N 0.000 120.240 120.200 0.067 0.000 2.725 67 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 67 E CA 0.000 56.450 56.400 0.084 0.000 0.976 67 E CB 0.000 29.789 29.700 0.148 0.000 0.812 67 E HN 0.000 nan 8.360 nan 0.000 0.440