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 3ep5_1_B DATA FIRST_RESID 5 DATA SEQUENCE HFFEGTEKLL EVWFSRXXXX XXQGSGDLRT IPRSEWDILL KDVQCSIISV DATA SEQUENCE TKTDKQEAYV LSE 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.483 175.328 0.259 0.000 0.993 5 H CA 0.000 56.135 56.048 0.145 0.000 1.023 5 H CB 0.000 29.820 29.762 0.097 0.000 1.292 6 F N 5.268 125.484 119.950 0.444 0.000 2.686 6 F HA 0.445 4.971 4.527 -0.000 0.000 0.315 6 F C -2.630 173.358 175.800 0.312 0.000 1.088 6 F CA -0.758 57.438 58.000 0.327 0.000 1.034 6 F CB 0.851 39.937 39.000 0.143 0.000 1.280 6 F HN 0.370 nan 8.300 nan 0.000 0.463 7 F N 5.439 124.917 119.950 -0.788 0.000 2.561 7 F HA 0.508 5.035 4.527 0.000 0.000 0.313 7 F C -0.813 174.488 175.800 -0.831 0.000 1.126 7 F CA -0.393 57.267 58.000 -0.566 0.000 0.918 7 F CB 1.685 40.573 39.000 -0.187 0.000 1.199 7 F HN 0.445 nan 8.300 nan 0.000 0.444 8 E N 4.134 123.620 120.200 -1.190 0.000 2.003 8 E HA 0.163 4.512 4.350 -0.001 0.000 0.279 8 E C 0.777 176.980 176.600 -0.661 0.000 1.132 8 E CA 0.146 56.116 56.400 -0.717 0.000 0.888 8 E CB 1.314 30.791 29.700 -0.372 0.000 1.056 8 E HN 1.000 nan 8.360 nan 0.000 0.399 9 G N 3.209 111.866 108.800 -0.239 0.000 2.443 9 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.219 9 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.219 9 G C 0.848 175.728 174.900 -0.034 0.000 1.131 9 G CA 0.169 45.272 45.100 0.005 0.000 0.775 9 G HN 0.349 nan 8.290 nan 0.000 0.547 10 T N 1.945 116.460 114.554 -0.065 0.000 2.866 10 T HA 0.227 4.577 4.350 -0.001 0.000 0.293 10 T C -0.036 174.637 174.700 -0.044 0.000 1.005 10 T CA 0.572 62.651 62.100 -0.035 0.000 1.162 10 T CB 0.801 69.656 68.868 -0.022 0.000 0.968 10 T HN 0.391 nan 8.240 nan 0.000 0.530 11 E N 2.034 122.224 120.200 -0.017 0.000 2.227 11 E HA 0.428 4.778 4.350 -0.001 0.000 0.268 11 E C -0.247 176.347 176.600 -0.010 0.000 0.990 11 E CA -0.879 55.514 56.400 -0.012 0.000 0.856 11 E CB 1.304 31.006 29.700 0.003 0.000 1.159 11 E HN 0.415 nan 8.360 nan 0.000 0.401 12 K N 1.302 121.697 120.400 -0.009 0.000 2.185 12 K HA 0.478 4.798 4.320 -0.001 0.000 0.269 12 K C -1.225 175.374 176.600 -0.002 0.000 0.987 12 K CA -0.850 55.434 56.287 -0.005 0.000 0.865 12 K CB 1.160 33.656 32.500 -0.007 0.000 1.090 12 K HN 0.189 nan 8.250 nan 0.000 0.450 13 L N 4.161 125.385 121.223 0.002 0.000 2.381 13 L HA 0.502 4.841 4.340 -0.001 0.000 0.274 13 L C -1.884 174.989 176.870 0.005 0.000 0.988 13 L CA -0.872 53.969 54.840 0.003 0.000 0.824 13 L CB 1.562 43.626 42.059 0.007 0.000 1.263 13 L HN 0.530 nan 8.230 nan 0.000 0.410 14 L N 4.455 125.679 121.223 0.001 0.000 2.356 14 L HA 0.636 4.975 4.340 -0.001 0.000 0.277 14 L C -1.020 175.848 176.870 -0.002 0.000 0.996 14 L CA 0.029 54.871 54.840 0.003 0.000 0.822 14 L CB 1.702 43.764 42.059 0.005 0.000 1.256 14 L HN 0.793 nan 8.230 nan 0.000 0.413 15 E N 4.117 124.323 120.200 0.009 0.000 2.241 15 E HA 0.659 5.009 4.350 -0.001 0.000 0.263 15 E C -1.986 174.617 176.600 0.004 0.000 0.882 15 E CA -0.644 55.759 56.400 0.004 0.000 0.769 15 E CB 1.872 31.611 29.700 0.066 0.000 1.185 15 E HN 0.467 nan 8.360 nan 0.000 0.415 16 V N 4.288 124.151 119.914 -0.085 0.000 2.577 16 V HA 0.434 4.554 4.120 -0.001 0.000 0.303 16 V C -1.167 174.761 176.094 -0.276 0.000 1.042 16 V CA -0.806 61.387 62.300 -0.177 0.000 0.872 16 V CB 1.228 32.850 31.823 -0.335 0.000 0.998 16 V HN 0.649 nan 8.190 nan 0.000 0.423 17 W N 3.927 125.065 121.300 -0.269 0.000 2.429 17 W HA 0.764 5.424 4.660 -0.000 0.000 0.314 17 W C -0.422 175.947 176.519 -0.250 0.000 1.062 17 W CA -0.427 56.839 57.345 -0.131 0.000 1.211 17 W CB 1.195 30.622 29.460 -0.055 0.000 1.305 17 W HN 0.376 nan 8.180 nan 0.000 0.476 18 F N 1.836 121.902 119.950 0.193 0.000 2.461 18 F HA 0.722 5.248 4.527 -0.001 0.000 0.332 18 F C 0.810 176.691 175.800 0.135 0.000 1.073 18 F CA -0.617 57.462 58.000 0.132 0.000 1.017 18 F CB 1.586 40.633 39.000 0.078 0.000 1.301 18 F HN 0.234 nan 8.300 nan 0.000 0.492 19 S N -0.266 115.623 115.700 0.314 0.000 2.587 19 S HA 0.803 5.272 4.470 -0.001 0.000 0.269 19 S C -1.245 173.445 174.600 0.150 0.000 1.154 19 S CA -1.421 56.895 58.200 0.194 0.000 0.824 19 S CB 2.095 65.379 63.200 0.141 0.000 1.118 19 S HN 0.511 nan 8.310 nan 0.000 0.462 28 G N -0.439 108.351 108.800 -0.015 0.000 2.321 28 G HA2 0.315 4.275 3.960 -0.001 0.000 0.298 28 G HA3 0.315 4.275 3.960 -0.001 0.000 0.298 28 G C 0.068 174.957 174.900 -0.019 0.000 1.385 28 G CA 0.195 45.280 45.100 -0.024 0.000 0.856 28 G HN 0.410 nan 8.290 nan 0.000 0.584 29 S N -1.185 114.500 115.700 -0.026 0.000 2.436 29 S HA 0.344 4.813 4.470 -0.001 0.000 0.228 29 S C 2.053 176.648 174.600 -0.008 0.000 1.014 29 S CA 1.489 59.679 58.200 -0.016 0.000 0.950 29 S CB -0.052 63.136 63.200 -0.021 0.000 0.784 29 S HN 2.848 nan 8.310 nan 0.000 0.504 30 G N 0.917 109.710 108.800 -0.012 0.000 2.160 30 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.244 30 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.244 30 G C -0.404 174.501 174.900 0.008 0.000 1.022 30 G CA 0.283 45.385 45.100 0.003 0.000 0.741 30 G HN 0.703 nan 8.290 nan 0.000 0.508 31 D N -0.940 119.455 120.400 -0.010 0.000 2.966 31 D HA 0.337 4.976 4.640 -0.001 0.000 0.222 31 D C 1.391 177.683 176.300 -0.013 0.000 1.292 31 D CA -0.718 53.283 54.000 0.002 0.000 0.907 31 D CB 1.141 41.950 40.800 0.014 0.000 1.621 31 D HN -0.034 nan 8.370 nan 0.000 0.557 32 L N 2.677 123.897 121.223 -0.004 0.000 2.275 32 L HA 0.028 4.367 4.340 -0.001 0.000 0.215 32 L C 2.158 179.098 176.870 0.116 0.000 1.119 32 L CA 0.633 55.485 54.840 0.019 0.000 0.790 32 L CB -0.032 42.051 42.059 0.041 0.000 0.919 32 L HN 0.218 nan 8.230 nan 0.000 0.443 33 R N -0.781 119.780 120.500 0.103 0.000 2.357 33 R HA -0.061 4.278 4.340 -0.001 0.000 0.202 33 R C 1.870 178.234 176.300 0.107 0.000 1.047 33 R CA 0.903 57.087 56.100 0.140 0.000 1.034 33 R CB -0.328 30.028 30.300 0.094 0.000 0.875 33 R HN 0.284 nan 8.270 nan 0.000 0.473 34 T N 0.922 115.505 114.554 0.048 0.000 2.985 34 T HA 0.087 4.437 4.350 -0.001 0.000 0.266 34 T C 0.907 175.587 174.700 -0.033 0.000 1.076 34 T CA 0.340 62.442 62.100 0.004 0.000 1.135 34 T CB 0.059 68.911 68.868 -0.027 0.000 0.890 34 T HN 0.101 nan 8.240 nan 0.000 0.480 35 I N 3.422 123.951 120.570 -0.068 0.000 2.742 35 I HA 0.046 4.216 4.170 -0.001 0.000 0.287 35 I C -2.175 173.806 176.117 -0.227 0.000 1.186 35 I CA -1.632 59.509 61.300 -0.265 0.000 1.417 35 I CB 0.129 37.800 38.000 -0.550 0.000 1.377 35 I HN 0.008 nan 8.210 nan 0.000 0.556 36 P HA 0.035 nan 4.420 nan 0.000 0.269 36 P C 0.387 177.620 177.300 -0.111 0.000 1.215 36 P CA -0.434 62.594 63.100 -0.119 0.000 0.780 36 P CB 0.602 32.233 31.700 -0.115 0.000 0.898 37 R N 2.672 123.220 120.500 0.080 0.000 2.105 37 R HA -0.166 4.173 4.340 -0.001 0.000 0.239 37 R C 1.910 178.272 176.300 0.102 0.000 1.135 37 R CA 2.503 58.726 56.100 0.205 0.000 0.967 37 R CB -1.453 28.965 30.300 0.197 0.000 0.861 37 R HN 0.546 nan 8.270 nan 0.000 0.442 38 S N 0.051 115.761 115.700 0.018 0.000 2.400 38 S HA -0.123 4.347 4.470 -0.001 0.000 0.232 38 S C 1.559 176.131 174.600 -0.048 0.000 1.025 38 S CA 1.122 59.318 58.200 -0.005 0.000 0.993 38 S CB -0.305 62.882 63.200 -0.023 0.000 0.808 38 S HN 0.386 nan 8.310 nan 0.000 0.478 39 E N 0.719 120.827 120.200 -0.154 0.000 2.107 39 E HA -0.046 4.304 4.350 -0.001 0.000 0.191 39 E C 1.677 178.165 176.600 -0.187 0.000 0.982 39 E CA 0.816 57.068 56.400 -0.245 0.000 0.809 39 E CB -0.387 29.051 29.700 -0.437 0.000 0.756 39 E HN 0.804 nan 8.360 nan 0.000 0.459 40 W N 1.774 123.032 121.300 -0.070 0.000 2.381 40 W HA -0.140 4.520 4.660 -0.001 0.000 0.301 40 W C 1.984 178.452 176.519 -0.086 0.000 1.205 40 W CA 0.331 57.607 57.345 -0.115 0.000 1.285 40 W CB -0.038 29.301 29.460 -0.201 0.000 1.133 40 W HN 0.009 nan 8.180 nan 0.000 0.521 41 D N 0.494 120.996 120.400 0.171 0.000 2.123 41 D HA -0.188 4.452 4.640 -0.001 0.000 0.196 41 D C 1.976 178.315 176.300 0.064 0.000 0.992 41 D CA 1.526 55.584 54.000 0.097 0.000 0.833 41 D CB -0.607 40.236 40.800 0.073 0.000 0.954 41 D HN 0.186 nan 8.370 nan 0.000 0.455 42 I N 0.551 121.146 120.570 0.040 0.000 2.202 42 I HA -0.198 3.971 4.170 -0.001 0.000 0.242 42 I C 2.580 178.717 176.117 0.033 0.000 1.091 42 I CA 0.477 61.789 61.300 0.020 0.000 1.368 42 I CB -0.161 37.833 38.000 -0.010 0.000 1.058 42 I HN -0.013 nan 8.210 nan 0.000 0.410 43 L N 0.643 121.897 121.223 0.052 0.000 2.042 43 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 43 L C 2.420 179.336 176.870 0.077 0.000 1.076 43 L CA 1.666 56.552 54.840 0.077 0.000 0.749 43 L CB -0.105 42.044 42.059 0.150 0.000 0.893 43 L HN 0.200 nan 8.230 nan 0.000 0.432 44 L N -0.106 121.166 121.223 0.083 0.000 2.156 44 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 44 L C 2.676 179.569 176.870 0.038 0.000 1.095 44 L CA 1.365 56.235 54.840 0.050 0.000 0.770 44 L CB -0.536 41.543 42.059 0.032 0.000 0.914 44 L HN 0.367 nan 8.230 nan 0.000 0.439 45 K N 0.732 121.155 120.400 0.038 0.000 2.147 45 K HA -0.206 4.114 4.320 -0.001 0.000 0.205 45 K C 1.198 177.813 176.600 0.026 0.000 1.049 45 K CA 1.919 58.224 56.287 0.029 0.000 0.936 45 K CB -0.507 32.008 32.500 0.026 0.000 0.722 45 K HN 0.432 nan 8.250 nan 0.000 0.446 46 D N 0.365 120.781 120.400 0.026 0.000 2.349 46 D HA -0.052 4.587 4.640 -0.001 0.000 0.224 46 D C 1.256 177.569 176.300 0.023 0.000 1.029 46 D CA 0.094 54.107 54.000 0.022 0.000 0.879 46 D CB 0.431 41.243 40.800 0.019 0.000 0.906 46 D HN 0.102 nan 8.370 nan 0.000 0.528 47 V N -0.671 119.259 119.914 0.026 0.000 3.650 47 V HA 0.057 4.177 4.120 -0.001 0.000 0.271 47 V C 0.131 176.240 176.094 0.024 0.000 1.281 47 V CA 0.055 62.370 62.300 0.024 0.000 1.120 47 V CB -0.793 31.045 31.823 0.024 0.000 0.856 47 V HN 0.119 nan 8.190 nan 0.000 0.443 48 Q N -0.731 119.085 119.800 0.026 0.000 2.477 48 Q HA -0.155 4.185 4.340 -0.001 0.000 0.279 48 Q C -0.256 175.765 176.000 0.035 0.000 1.144 48 Q CA 0.789 56.609 55.803 0.030 0.000 0.898 48 Q CB -2.110 26.646 28.738 0.031 0.000 1.244 48 Q HN 0.902 nan 8.270 nan 0.000 0.485 49 C N -2.936 116.382 119.300 0.031 0.000 3.320 49 C HA 0.973 5.433 4.460 -0.001 0.000 0.335 49 C C -0.456 174.550 174.990 0.027 0.000 1.430 49 C CA -0.048 58.988 59.018 0.031 0.000 1.271 49 C CB 2.090 29.848 27.740 0.031 0.000 1.609 49 C HN 0.795 nan 8.230 nan 0.000 0.457 50 S N -0.137 115.579 115.700 0.026 0.000 2.596 50 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 50 S C -1.152 173.469 174.600 0.034 0.000 1.155 50 S CA -0.721 57.497 58.200 0.030 0.000 0.827 50 S CB 0.721 63.940 63.200 0.033 0.000 1.130 50 S HN 0.944 nan 8.310 nan 0.000 0.467 51 I N 1.953 122.553 120.570 0.050 0.000 2.471 51 I HA 0.244 4.413 4.170 -0.001 0.000 0.286 51 I C 1.064 177.223 176.117 0.070 0.000 1.079 51 I CA -0.421 60.928 61.300 0.082 0.000 1.398 51 I CB 0.653 38.741 38.000 0.147 0.000 1.403 51 I HN 0.787 nan 8.210 nan 0.000 0.530 52 I N 1.310 121.915 120.570 0.057 0.000 4.187 52 I HA 0.347 4.516 4.170 -0.001 0.000 0.326 52 I C 0.564 176.697 176.117 0.027 0.000 1.302 52 I CA 0.113 61.434 61.300 0.035 0.000 1.196 52 I CB 0.694 38.705 38.000 0.018 0.000 1.095 52 I HN 0.464 nan 8.210 nan 0.000 0.411 53 S N 0.382 116.102 115.700 0.033 0.000 2.542 53 S HA 0.694 5.163 4.470 -0.001 0.000 0.276 53 S C -1.150 173.423 174.600 -0.045 0.000 1.148 53 S CA -0.427 57.771 58.200 -0.004 0.000 0.886 53 S CB 2.172 65.362 63.200 -0.017 0.000 1.109 53 S HN 0.045 nan 8.310 nan 0.000 0.458 54 V N 3.034 122.881 119.914 -0.112 0.000 2.709 54 V HA 0.744 4.863 4.120 -0.001 0.000 0.308 54 V C -0.521 175.437 176.094 -0.228 0.000 1.062 54 V CA -0.556 61.573 62.300 -0.286 0.000 0.901 54 V CB 2.136 33.759 31.823 -0.333 0.000 1.003 54 V HN 0.904 nan 8.190 nan 0.000 0.425 55 T N 4.219 118.607 114.554 -0.275 0.000 2.928 55 T HA 0.514 4.864 4.350 -0.001 0.000 0.296 55 T C -0.752 173.834 174.700 -0.190 0.000 1.000 55 T CA -0.790 61.205 62.100 -0.176 0.000 0.989 55 T CB 1.523 70.318 68.868 -0.122 0.000 1.005 55 T HN 0.614 nan 8.240 nan 0.000 0.442 56 K N 1.898 122.218 120.400 -0.133 0.000 2.259 56 K HA 0.788 5.108 4.320 -0.001 0.000 0.252 56 K C 0.048 176.610 176.600 -0.064 0.000 0.936 56 K CA -0.921 55.303 56.287 -0.104 0.000 0.810 56 K CB 1.916 34.366 32.500 -0.082 0.000 1.143 56 K HN 0.736 nan 8.250 nan 0.000 0.427 57 T N -3.302 111.223 114.554 -0.048 0.000 2.858 57 T HA 0.184 4.534 4.350 -0.001 0.000 0.285 57 T C 0.670 175.360 174.700 -0.017 0.000 1.052 57 T CA -0.761 61.321 62.100 -0.030 0.000 1.009 57 T CB 1.468 70.321 68.868 -0.026 0.000 1.241 57 T HN 0.488 nan 8.240 nan 0.000 0.542 58 D N -0.006 120.388 120.400 -0.009 0.000 2.123 58 D HA -0.088 4.551 4.640 -0.001 0.000 0.196 58 D C 1.588 177.890 176.300 0.004 0.000 0.992 58 D CA 1.307 55.307 54.000 -0.001 0.000 0.833 58 D CB 0.167 40.969 40.800 0.003 0.000 0.954 58 D HN 0.535 nan 8.370 nan 0.000 0.455 59 K N -0.496 119.906 120.400 0.004 0.000 2.262 59 K HA 0.029 4.349 4.320 -0.001 0.000 0.200 59 K C 0.859 177.461 176.600 0.002 0.000 1.049 59 K CA 0.295 56.588 56.287 0.010 0.000 0.979 59 K CB 0.469 32.979 32.500 0.016 0.000 0.773 59 K HN 0.353 nan 8.250 nan 0.000 0.474 60 Q N -0.042 119.753 119.800 -0.009 0.000 2.575 60 Q HA 0.336 4.675 4.340 -0.001 0.000 0.290 60 Q C -1.699 174.280 176.000 -0.035 0.000 0.963 60 Q CA -0.937 54.856 55.803 -0.017 0.000 0.783 60 Q CB 1.520 30.243 28.738 -0.025 0.000 1.467 60 Q HN -0.121 nan 8.270 nan 0.000 0.402 61 E N 0.245 120.424 120.200 -0.035 0.000 2.176 61 E HA 0.680 5.029 4.350 -0.001 0.000 0.267 61 E C -1.365 175.155 176.600 -0.133 0.000 0.893 61 E CA -0.899 55.434 56.400 -0.112 0.000 0.761 61 E CB 2.159 31.807 29.700 -0.086 0.000 1.133 61 E HN 0.621 nan 8.360 nan 0.000 0.409 62 A N 3.196 125.873 122.820 -0.238 0.000 2.330 62 A HA 0.648 4.967 4.320 -0.001 0.000 0.327 62 A C -1.528 175.869 177.584 -0.311 0.000 1.155 62 A CA -0.497 51.448 52.037 -0.153 0.000 0.803 62 A CB 0.476 19.419 19.000 -0.094 0.000 1.208 62 A HN 0.545 nan 8.150 nan 0.000 0.477 63 Y N 0.808 121.041 120.300 -0.111 0.000 2.376 63 Y HA 0.497 5.046 4.550 -0.001 0.000 0.340 63 Y C -0.003 175.851 175.900 -0.078 0.000 0.965 63 Y CA -0.874 57.165 58.100 -0.102 0.000 1.078 63 Y CB 2.078 40.447 38.460 -0.152 0.000 1.193 63 Y HN 0.394 nan 8.280 nan 0.000 0.452 64 V N 5.273 125.233 119.914 0.077 0.000 2.439 64 V HA 0.456 4.575 4.120 -0.001 0.000 0.282 64 V C -0.060 176.064 176.094 0.050 0.000 1.039 64 V CA -0.676 61.648 62.300 0.040 0.000 0.913 64 V CB 1.065 32.894 31.823 0.010 0.000 0.983 64 V HN 0.601 nan 8.190 nan 0.000 0.460 65 L N 3.919 125.162 121.223 0.032 0.000 2.286 65 L HA 0.922 5.262 4.340 -0.001 0.000 0.265 65 L C 0.026 176.909 176.870 0.021 0.000 1.012 65 L CA -0.445 54.411 54.840 0.026 0.000 0.818 65 L CB 2.237 44.304 42.059 0.012 0.000 1.337 65 L HN 0.784 nan 8.230 nan 0.000 0.438 66 S N -1.637 114.077 115.700 0.022 0.000 2.588 66 S HA 0.508 4.978 4.470 -0.001 0.000 0.269 66 S C -1.119 173.498 174.600 0.029 0.000 1.157 66 S CA -1.096 57.114 58.200 0.017 0.000 0.824 66 S CB 2.112 65.312 63.200 0.001 0.000 1.126 66 S HN 0.483 nan 8.310 nan 0.000 0.464 67 E N 0.000 120.220 120.200 0.033 0.000 2.725 67 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 67 E CA 0.000 56.430 56.400 0.050 0.000 0.976 67 E CB 0.000 29.750 29.700 0.084 0.000 0.812 67 E HN 0.000 nan 8.360 nan 0.000 0.440