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 2hv8_1_E DATA FIRST_RESID 702 DATA SEQUENCE TAFSESLAAE ISSVSRDELM EAIQKQEEIN FRLQDYIDRI IVAIMETNPS DATA SEQUENCE ILEVK 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 702 T HA 0.000 nan 4.350 nan 0.000 0.228 702 T C 0.000 174.735 174.700 0.058 0.000 1.109 702 T CA 0.000 62.132 62.100 0.053 0.000 1.349 702 T CB 0.000 68.886 68.868 0.030 0.000 0.612 703 A N 0.711 123.573 122.820 0.070 0.000 1.908 703 A HA 0.249 4.569 4.320 0.000 0.000 0.218 703 A C 2.037 179.674 177.584 0.088 0.000 1.181 703 A CA 2.082 54.159 52.037 0.066 0.000 0.627 703 A CB -0.850 18.191 19.000 0.068 0.000 0.818 703 A HN 0.904 nan 8.150 nan 0.000 0.445 704 F N 1.269 121.219 119.950 0.000 0.000 2.113 704 F HA -0.123 4.404 4.527 0.000 0.000 0.297 704 F C 2.494 178.294 175.800 -0.000 0.000 1.103 704 F CA 1.955 59.955 58.000 0.000 0.000 1.248 704 F CB -0.515 38.485 39.000 0.000 0.000 0.999 704 F HN 0.179 nan 8.300 nan 0.000 0.475 705 S N 0.153 115.758 115.700 -0.158 0.000 2.382 705 S HA -0.188 4.282 4.470 0.000 0.000 0.228 705 S C 1.804 176.281 174.600 -0.205 0.000 1.027 705 S CA 1.455 59.505 58.200 -0.250 0.000 0.991 705 S CB -0.432 62.747 63.200 -0.035 0.000 0.823 705 S HN 0.510 nan 8.310 nan 0.000 0.469 706 E N 1.217 121.350 120.200 -0.111 0.000 2.110 706 E HA -0.131 4.219 4.350 0.000 0.000 0.193 706 E C 2.401 178.935 176.600 -0.109 0.000 0.988 706 E CA 1.373 57.723 56.400 -0.083 0.000 0.804 706 E CB -0.167 29.511 29.700 -0.037 0.000 0.745 706 E HN 0.624 nan 8.360 nan 0.000 0.458 707 S N 0.807 116.423 115.700 -0.141 0.000 2.383 707 S HA -0.113 4.357 4.470 0.000 0.000 0.227 707 S C 2.069 176.559 174.600 -0.184 0.000 1.026 707 S CA 0.635 58.755 58.200 -0.133 0.000 0.981 707 S CB -0.422 62.720 63.200 -0.096 0.000 0.818 707 S HN 0.169 nan 8.310 nan 0.000 0.472 708 L N 1.341 122.375 121.223 -0.316 0.000 2.027 708 L HA -0.017 4.323 4.340 0.000 0.000 0.206 708 L C 3.278 180.052 176.870 -0.160 0.000 1.074 708 L CA 1.255 55.928 54.840 -0.278 0.000 0.745 708 L CB -0.969 40.847 42.059 -0.405 0.000 0.898 708 L HN 0.487 nan 8.230 nan 0.000 0.433 709 A N 0.123 122.857 122.820 -0.143 0.000 1.902 709 A HA -0.168 4.152 4.320 0.000 0.000 0.217 709 A C 2.532 180.076 177.584 -0.068 0.000 1.181 709 A CA 1.728 53.711 52.037 -0.089 0.000 0.623 709 A CB -0.660 18.295 19.000 -0.075 0.000 0.818 709 A HN 0.409 nan 8.150 nan 0.000 0.443 710 A N -0.322 122.456 122.820 -0.070 0.000 1.933 710 A HA -0.145 4.175 4.320 0.000 0.000 0.218 710 A C 1.982 179.539 177.584 -0.045 0.000 1.175 710 A CA 2.156 54.163 52.037 -0.050 0.000 0.628 710 A CB -0.428 18.545 19.000 -0.045 0.000 0.814 710 A HN 0.550 nan 8.150 nan 0.000 0.444 711 E N 0.297 120.464 120.200 -0.056 0.000 2.072 711 E HA -0.100 4.250 4.350 0.000 0.000 0.191 711 E C 1.649 178.226 176.600 -0.038 0.000 0.985 711 E CA 1.297 57.671 56.400 -0.044 0.000 0.801 711 E CB -0.439 29.231 29.700 -0.050 0.000 0.750 711 E HN 0.612 nan 8.360 nan 0.000 0.452 712 I N 0.217 120.759 120.570 -0.046 0.000 2.264 712 I HA -0.252 3.918 4.170 0.000 0.000 0.248 712 I C 2.063 178.163 176.117 -0.029 0.000 1.111 712 I CA 1.343 62.621 61.300 -0.036 0.000 1.382 712 I CB -0.141 37.834 38.000 -0.041 0.000 1.060 712 I HN 0.034 nan 8.210 nan 0.000 0.418 713 S N -0.335 115.347 115.700 -0.030 0.000 2.496 713 S HA 0.057 4.527 4.470 0.000 0.000 0.224 713 S C 1.034 175.622 174.600 -0.020 0.000 0.996 713 S CA 0.059 58.245 58.200 -0.024 0.000 0.927 713 S CB -0.042 63.143 63.200 -0.025 0.000 0.774 713 S HN 0.280 nan 8.310 nan 0.000 0.524 714 S N 1.850 117.537 115.700 -0.021 0.000 2.579 714 S HA 0.249 4.720 4.470 0.000 0.000 0.275 714 S C 0.454 175.046 174.600 -0.014 0.000 1.345 714 S CA -0.554 57.636 58.200 -0.017 0.000 1.031 714 S CB 0.871 64.061 63.200 -0.017 0.000 0.892 714 S HN 0.382 nan 8.310 nan 0.000 0.529 715 V N 0.651 120.558 119.914 -0.011 0.000 2.963 715 V HA 0.627 4.747 4.120 0.000 0.000 0.306 715 V C 0.627 176.715 176.094 -0.009 0.000 1.077 715 V CA -0.341 61.953 62.300 -0.010 0.000 1.124 715 V CB -0.332 31.486 31.823 -0.008 0.000 0.987 715 V HN 0.967 nan 8.190 nan 0.000 0.487 716 S N 3.086 118.781 115.700 -0.009 0.000 2.584 716 S HA 0.314 4.784 4.470 0.000 0.000 0.270 716 S C 1.016 175.612 174.600 -0.007 0.000 1.346 716 S CA 0.176 58.371 58.200 -0.008 0.000 1.018 716 S CB -0.012 63.183 63.200 -0.008 0.000 0.899 716 S HN 0.848 nan 8.310 nan 0.000 0.542 717 R N 0.677 121.174 120.500 -0.006 0.000 2.148 717 R HA -0.001 4.339 4.340 0.000 0.000 0.227 717 R C 2.196 178.493 176.300 -0.006 0.000 1.103 717 R CA 1.554 57.651 56.100 -0.005 0.000 0.983 717 R CB -0.877 29.421 30.300 -0.004 0.000 0.874 717 R HN 0.879 nan 8.270 nan 0.000 0.451 718 D N 0.877 121.273 120.400 -0.006 0.000 2.144 718 D HA -0.169 4.471 4.640 0.000 0.000 0.199 718 D C 2.083 178.378 176.300 -0.008 0.000 0.984 718 D CA 1.569 55.565 54.000 -0.007 0.000 0.834 718 D CB -0.464 40.331 40.800 -0.007 0.000 0.955 718 D HN 0.557 nan 8.370 nan 0.000 0.465 719 E N -0.022 120.174 120.200 -0.008 0.000 2.150 719 E HA 0.107 4.457 4.350 0.000 0.000 0.193 719 E C 2.193 178.789 176.600 -0.008 0.000 0.985 719 E CA 0.852 57.247 56.400 -0.008 0.000 0.814 719 E CB -0.654 29.042 29.700 -0.008 0.000 0.752 719 E HN 0.655 nan 8.360 nan 0.000 0.466 720 L N -0.774 120.445 121.223 -0.007 0.000 2.027 720 L HA -0.155 4.185 4.340 0.000 0.000 0.206 720 L C 3.428 180.295 176.870 -0.006 0.000 1.074 720 L CA 2.181 57.018 54.840 -0.005 0.000 0.745 720 L CB -0.689 41.368 42.059 -0.004 0.000 0.898 720 L HN 0.524 nan 8.230 nan 0.000 0.433 721 M N 0.107 119.703 119.600 -0.007 0.000 2.108 721 M HA -0.161 4.319 4.480 0.000 0.000 0.261 721 M C 2.490 178.782 176.300 -0.013 0.000 1.066 721 M CA 2.699 57.994 55.300 -0.009 0.000 1.107 721 M CB -2.105 30.489 32.600 -0.009 0.000 1.356 721 M HN 0.450 nan 8.290 nan 0.000 0.406 722 E N 0.163 120.355 120.200 -0.013 0.000 2.110 722 E HA 0.173 4.523 4.350 0.000 0.000 0.193 722 E C 2.362 178.953 176.600 -0.014 0.000 0.988 722 E CA 2.214 58.605 56.400 -0.015 0.000 0.804 722 E CB -1.228 28.464 29.700 -0.014 0.000 0.745 722 E HN 1.153 nan 8.360 nan 0.000 0.458 723 A N 0.338 123.152 122.820 -0.010 0.000 1.898 723 A HA 0.093 4.413 4.320 0.000 0.000 0.216 723 A C 2.482 180.062 177.584 -0.006 0.000 1.181 723 A CA 1.371 53.404 52.037 -0.007 0.000 0.620 723 A CB -0.289 18.708 19.000 -0.005 0.000 0.819 723 A HN 0.491 nan 8.150 nan 0.000 0.442 724 I N -0.440 120.127 120.570 -0.005 0.000 2.202 724 I HA -0.274 3.896 4.170 0.000 0.000 0.242 724 I C 3.305 179.417 176.117 -0.008 0.000 1.091 724 I CA 1.530 62.829 61.300 -0.001 0.000 1.368 724 I CB -0.651 37.350 38.000 0.001 0.000 1.058 724 I HN 0.516 nan 8.210 nan 0.000 0.410 725 Q N 1.254 121.041 119.800 -0.021 0.000 2.135 725 Q HA -0.279 4.061 4.340 0.000 0.000 0.204 725 Q C 2.496 178.470 176.000 -0.043 0.000 0.981 725 Q CA 2.638 58.416 55.803 -0.042 0.000 0.856 725 Q CB -1.266 27.444 28.738 -0.048 0.000 0.902 725 Q HN 0.634 nan 8.270 nan 0.000 0.425 726 K N 0.594 120.979 120.400 -0.026 0.000 2.097 726 K HA -0.156 4.164 4.320 0.000 0.000 0.205 726 K C 2.130 178.727 176.600 -0.005 0.000 1.050 726 K CA 1.539 57.814 56.287 -0.019 0.000 0.938 726 K CB -0.594 31.898 32.500 -0.013 0.000 0.718 726 K HN 0.800 nan 8.250 nan 0.000 0.442 727 Q N -0.303 119.499 119.800 0.003 0.000 2.084 727 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 727 Q C 2.228 178.256 176.000 0.046 0.000 0.978 727 Q CA 1.695 57.510 55.803 0.020 0.000 0.844 727 Q CB 0.007 28.757 28.738 0.020 0.000 0.898 727 Q HN 0.754 nan 8.270 nan 0.000 0.426 728 E N 0.140 120.365 120.200 0.041 0.000 2.077 728 E HA -0.211 4.139 4.350 0.000 0.000 0.193 728 E C 2.262 178.923 176.600 0.103 0.000 0.989 728 E CA 1.282 57.738 56.400 0.093 0.000 0.800 728 E CB -0.033 29.680 29.700 0.020 0.000 0.746 728 E HN 0.497 nan 8.360 nan 0.000 0.452 729 E N 1.236 121.425 120.200 -0.019 0.000 2.110 729 E HA -0.175 4.175 4.350 0.000 0.000 0.193 729 E C 1.790 178.436 176.600 0.077 0.000 0.988 729 E CA 1.269 57.655 56.400 -0.024 0.000 0.804 729 E CB -0.794 28.871 29.700 -0.058 0.000 0.745 729 E HN 0.255 nan 8.360 nan 0.000 0.458 730 I N 0.952 121.560 120.570 0.063 0.000 2.202 730 I HA -0.236 3.934 4.170 0.000 0.000 0.242 730 I C 2.254 178.426 176.117 0.091 0.000 1.091 730 I CA 1.314 62.650 61.300 0.059 0.000 1.368 730 I CB -0.236 37.781 38.000 0.028 0.000 1.058 730 I HN 0.231 nan 8.210 nan 0.000 0.410 731 N N 0.709 119.483 118.700 0.123 0.000 2.166 731 N HA -0.168 4.572 4.740 0.000 0.000 0.186 731 N C 1.780 177.377 175.510 0.145 0.000 1.019 731 N CA 1.397 54.518 53.050 0.119 0.000 0.856 731 N CB -0.486 38.072 38.487 0.119 0.000 0.993 731 N HN 0.186 nan 8.380 nan 0.000 0.426 732 F N 1.714 121.670 119.950 0.010 0.000 2.126 732 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 732 F C 2.395 178.211 175.800 0.027 0.000 1.096 732 F CA 1.136 59.146 58.000 0.017 0.000 1.255 732 F CB -0.186 38.822 39.000 0.013 0.000 0.997 732 F HN -0.014 nan 8.300 nan 0.000 0.479 733 R N -0.094 120.530 120.500 0.207 0.000 2.081 733 R HA -0.159 4.181 4.340 0.000 0.000 0.235 733 R C 2.238 178.602 176.300 0.106 0.000 1.131 733 R CA 1.470 57.649 56.100 0.131 0.000 0.960 733 R CB -0.708 29.644 30.300 0.087 0.000 0.856 733 R HN 0.322 nan 8.270 nan 0.000 0.436 734 L N 0.234 121.497 121.223 0.067 0.000 2.056 734 L HA -0.201 4.139 4.340 0.000 0.000 0.207 734 L C 2.664 179.583 176.870 0.082 0.000 1.078 734 L CA 1.157 56.023 54.840 0.044 0.000 0.749 734 L CB -0.418 41.643 42.059 0.003 0.000 0.901 734 L HN 0.164 nan 8.230 nan 0.000 0.433 735 Q N 0.567 120.385 119.800 0.029 0.000 2.084 735 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 735 Q C 1.717 177.726 176.000 0.015 0.000 0.978 735 Q CA 2.161 57.955 55.803 -0.014 0.000 0.844 735 Q CB -0.223 28.438 28.738 -0.128 0.000 0.898 735 Q HN 0.409 nan 8.270 nan 0.000 0.426 736 D N -1.474 118.950 120.400 0.039 0.000 2.117 736 D HA -0.203 4.437 4.640 0.000 0.000 0.197 736 D C 1.647 177.999 176.300 0.086 0.000 0.987 736 D CA 1.161 55.194 54.000 0.054 0.000 0.829 736 D CB -0.315 40.531 40.800 0.077 0.000 0.961 736 D HN 0.436 nan 8.370 nan 0.000 0.460 737 Y N 0.618 120.918 120.300 -0.000 0.000 2.128 737 Y HA -0.180 4.370 4.550 0.000 0.000 0.284 737 Y C 2.085 177.981 175.900 -0.006 0.000 1.154 737 Y CA 1.706 59.806 58.100 0.001 0.000 1.149 737 Y CB -0.244 38.218 38.460 0.005 0.000 0.976 737 Y HN 0.030 nan 8.280 nan 0.000 0.505 738 I N 0.021 120.695 120.570 0.174 0.000 2.179 738 I HA -0.327 3.843 4.170 0.000 0.000 0.242 738 I C 1.919 178.030 176.117 -0.010 0.000 1.088 738 I CA 1.670 63.014 61.300 0.073 0.000 1.357 738 I CB -0.459 37.587 38.000 0.076 0.000 1.051 738 I HN 0.207 nan 8.210 nan 0.000 0.409 739 D N 0.875 121.268 120.400 -0.010 0.000 2.149 739 D HA -0.182 4.458 4.640 0.000 0.000 0.198 739 D C 2.505 178.776 176.300 -0.048 0.000 0.990 739 D CA 1.646 55.629 54.000 -0.029 0.000 0.839 739 D CB -0.263 40.521 40.800 -0.026 0.000 0.948 739 D HN 0.309 nan 8.370 nan 0.000 0.460 740 R N 0.677 121.134 120.500 -0.071 0.000 2.115 740 R HA 0.009 4.349 4.340 0.000 0.000 0.230 740 R C 2.358 178.583 176.300 -0.124 0.000 1.111 740 R CA 1.012 57.053 56.100 -0.099 0.000 0.976 740 R CB -1.393 28.832 30.300 -0.126 0.000 0.870 740 R HN 0.282 nan 8.270 nan 0.000 0.445 741 I N 0.254 120.729 120.570 -0.157 0.000 2.202 741 I HA -0.186 3.984 4.170 0.000 0.000 0.242 741 I C 2.187 178.260 176.117 -0.075 0.000 1.091 741 I CA 1.008 62.227 61.300 -0.135 0.000 1.368 741 I CB -0.153 37.762 38.000 -0.142 0.000 1.058 741 I HN 0.165 nan 8.210 nan 0.000 0.410 742 I N 0.130 120.667 120.570 -0.056 0.000 2.226 742 I HA -0.222 3.948 4.170 0.000 0.000 0.245 742 I C 2.706 178.803 176.117 -0.034 0.000 1.100 742 I CA 1.350 62.629 61.300 -0.036 0.000 1.374 742 I CB -1.094 36.890 38.000 -0.026 0.000 1.057 742 I HN 0.117 nan 8.210 nan 0.000 0.413 743 V N 1.457 121.349 119.914 -0.037 0.000 2.332 743 V HA -0.286 3.834 4.120 0.000 0.000 0.248 743 V C 2.725 178.801 176.094 -0.031 0.000 1.055 743 V CA 2.123 64.404 62.300 -0.031 0.000 1.038 743 V CB -0.559 31.246 31.823 -0.030 0.000 0.651 743 V HN 0.427 nan 8.190 nan 0.000 0.450 744 A N 0.178 122.975 122.820 -0.039 0.000 1.908 744 A HA -0.160 4.160 4.320 0.000 0.000 0.218 744 A C 2.127 179.693 177.584 -0.029 0.000 1.181 744 A CA 2.080 54.096 52.037 -0.036 0.000 0.627 744 A CB -0.544 18.428 19.000 -0.046 0.000 0.818 744 A HN 0.535 nan 8.150 nan 0.000 0.445 745 I N -0.501 120.052 120.570 -0.029 0.000 2.226 745 I HA -0.256 3.915 4.170 0.000 0.000 0.245 745 I C 2.579 178.686 176.117 -0.018 0.000 1.100 745 I CA 1.536 62.823 61.300 -0.022 0.000 1.374 745 I CB -1.291 36.697 38.000 -0.021 0.000 1.057 745 I HN 0.383 nan 8.210 nan 0.000 0.413 746 M N 0.168 119.757 119.600 -0.019 0.000 2.202 746 M HA -0.214 4.266 4.480 0.000 0.000 0.262 746 M C 2.031 178.323 176.300 -0.014 0.000 1.063 746 M CA 1.763 57.054 55.300 -0.015 0.000 1.097 746 M CB -0.415 32.175 32.600 -0.016 0.000 1.382 746 M HN 0.231 nan 8.290 nan 0.000 0.413 747 E N -0.657 119.534 120.200 -0.016 0.000 2.170 747 E HA -0.103 4.247 4.350 0.000 0.000 0.191 747 E C 2.059 178.651 176.600 -0.012 0.000 0.981 747 E CA 1.692 58.084 56.400 -0.014 0.000 0.830 747 E CB 0.096 29.786 29.700 -0.015 0.000 0.775 747 E HN 0.608 nan 8.360 nan 0.000 0.470 748 T N -2.261 112.285 114.554 -0.014 0.000 3.038 748 T HA 0.077 4.427 4.350 0.000 0.000 0.244 748 T C 0.912 175.606 174.700 -0.010 0.000 1.016 748 T CA 0.100 62.192 62.100 -0.012 0.000 1.098 748 T CB 0.254 69.114 68.868 -0.014 0.000 0.954 748 T HN -0.134 nan 8.240 nan 0.000 0.469 749 N N 1.706 120.399 118.700 -0.011 0.000 2.700 749 N HA 0.340 5.080 4.740 0.000 0.000 0.242 749 N C -2.489 173.016 175.510 -0.009 0.000 1.541 749 N CA -1.621 51.424 53.050 -0.009 0.000 0.764 749 N CB 1.533 40.015 38.487 -0.009 0.000 1.319 749 N HN 0.034 nan 8.380 nan 0.000 0.518 750 P HA -0.126 nan 4.420 nan 0.000 0.225 750 P C 1.155 178.450 177.300 -0.007 0.000 1.148 750 P CA 0.896 63.991 63.100 -0.009 0.000 0.779 750 P CB 0.207 31.902 31.700 -0.009 0.000 0.780 751 S N 1.085 116.781 115.700 -0.006 0.000 2.399 751 S HA -0.170 4.300 4.470 0.000 0.000 0.231 751 S C 2.051 176.648 174.600 -0.005 0.000 1.022 751 S CA 1.213 59.410 58.200 -0.005 0.000 0.983 751 S CB -1.742 61.455 63.200 -0.005 0.000 0.803 751 S HN 0.362 nan 8.310 nan 0.000 0.480 752 I N -1.212 119.355 120.570 -0.006 0.000 3.001 752 I HA 0.155 4.325 4.170 0.000 0.000 0.268 752 I C 1.551 177.665 176.117 -0.005 0.000 1.267 752 I CA 0.807 62.104 61.300 -0.005 0.000 1.472 752 I CB -0.465 37.532 38.000 -0.005 0.000 1.089 752 I HN 0.185 nan 8.210 nan 0.000 0.468 753 L N 1.203 122.423 121.223 -0.006 0.000 2.591 753 L HA 0.198 4.538 4.340 0.000 0.000 0.228 753 L C 1.068 177.935 176.870 -0.005 0.000 1.133 753 L CA 0.143 54.980 54.840 -0.006 0.000 0.880 753 L CB -0.476 41.578 42.059 -0.008 0.000 1.033 753 L HN 0.340 nan 8.230 nan 0.000 0.450 754 E N 1.221 121.418 120.200 -0.005 0.000 2.316 754 E HA 0.140 4.490 4.350 0.000 0.000 0.275 754 E C -0.606 175.992 176.600 -0.003 0.000 1.029 754 E CA -0.424 55.974 56.400 -0.004 0.000 0.871 754 E CB 1.142 30.840 29.700 -0.004 0.000 1.022 754 E HN -0.093 nan 8.360 nan 0.000 0.418 755 V N 4.345 124.257 119.914 -0.003 0.000 2.405 755 V HA 0.286 4.407 4.120 0.000 0.000 0.264 755 V C 0.835 176.928 176.094 -0.002 0.000 1.048 755 V CA 0.369 62.667 62.300 -0.002 0.000 0.966 755 V CB 0.052 31.874 31.823 -0.003 0.000 1.015 755 V HN 0.729 nan 8.190 nan 0.000 0.477 756 K N 0.000 120.399 120.400 -0.002 0.000 2.780 756 K HA 0.000 4.320 4.320 0.000 0.000 0.191 756 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 756 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 756 K HN 0.000 nan 8.250 nan 0.000 0.543