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 1dee_1_H DATA FIRST_RESID 2803 DATA SEQUENCE FNKDQQSAFY EILNMPNLNE AQRNGFIQSL KDDPSQSTNV LGEAKKLNES DATA SEQUENCE QAPK 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 2803 F HA 0.000 nan 4.527 nan 0.000 0.279 2803 F C 0.000 175.803 175.800 0.006 0.000 0.967 2803 F CA 0.000 58.002 58.000 0.003 0.000 1.383 2803 F CB 0.000 39.001 39.000 0.002 0.000 1.145 2804 N N 0.551 119.415 118.700 0.273 0.000 2.726 2804 N HA -0.201 4.539 4.740 -0.000 0.000 0.287 2804 N C 0.948 176.445 175.510 -0.021 0.000 1.052 2804 N CA 0.761 53.885 53.050 0.124 0.000 0.805 2804 N CB 0.024 38.612 38.487 0.169 0.000 0.944 2804 N HN 0.891 nan 8.380 nan 0.000 0.574 2805 K N 0.718 121.128 120.400 0.017 0.000 2.281 2805 K HA -0.211 4.109 4.320 -0.000 0.000 0.203 2805 K C 1.301 177.913 176.600 0.020 0.000 1.046 2805 K CA 1.840 58.133 56.287 0.009 0.000 0.938 2805 K CB -0.169 32.348 32.500 0.029 0.000 0.737 2805 K HN 0.498 nan 8.250 nan 0.000 0.458 2806 D N -0.067 120.351 120.400 0.031 0.000 2.117 2806 D HA -0.194 4.445 4.640 -0.000 0.000 0.197 2806 D C 2.099 178.418 176.300 0.031 0.000 0.987 2806 D CA 1.470 55.492 54.000 0.037 0.000 0.829 2806 D CB -0.092 40.737 40.800 0.049 0.000 0.961 2806 D HN 0.698 nan 8.370 nan 0.000 0.460 2807 Q N 0.561 120.365 119.800 0.007 0.000 1.993 2807 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 2807 Q C 2.305 178.301 176.000 -0.007 0.000 0.984 2807 Q CA 1.659 57.460 55.803 -0.003 0.000 0.837 2807 Q CB 0.032 28.731 28.738 -0.064 0.000 0.902 2807 Q HN 0.389 nan 8.270 nan 0.000 0.423 2808 Q N -0.328 119.423 119.800 -0.081 0.000 2.230 2808 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 2808 Q C 1.898 177.915 176.000 0.030 0.000 0.963 2808 Q CA 1.561 57.287 55.803 -0.129 0.000 0.866 2808 Q CB -0.163 28.468 28.738 -0.178 0.000 0.931 2808 Q HN 0.333 nan 8.270 nan 0.000 0.452 2809 S N 0.656 116.416 115.700 0.099 0.000 2.395 2809 S HA 0.087 4.556 4.470 -0.000 0.000 0.225 2809 S C 2.193 176.870 174.600 0.129 0.000 1.027 2809 S CA 0.464 58.761 58.200 0.161 0.000 0.965 2809 S CB -0.265 62.996 63.200 0.101 0.000 0.812 2809 S HN 0.487 nan 8.310 nan 0.000 0.482 2810 A N 1.173 124.042 122.820 0.082 0.000 1.898 2810 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 2810 A C 1.952 179.566 177.584 0.050 0.000 1.181 2810 A CA 1.229 53.296 52.037 0.049 0.000 0.620 2810 A CB -1.129 17.893 19.000 0.036 0.000 0.819 2810 A HN 0.562 nan 8.150 nan 0.000 0.442 2811 F N -0.778 119.109 119.950 -0.106 0.000 2.069 2811 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 2811 F C 2.158 177.863 175.800 -0.159 0.000 1.113 2811 F CA 2.006 59.896 58.000 -0.184 0.000 1.214 2811 F CB -0.266 38.526 39.000 -0.348 0.000 0.978 2811 F HN 0.307 nan 8.300 nan 0.000 0.474 2812 Y N 0.166 120.651 120.300 0.307 0.000 2.403 2812 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 2812 Y C 2.267 178.206 175.900 0.065 0.000 1.143 2812 Y CA 1.385 59.595 58.100 0.182 0.000 1.257 2812 Y CB -0.813 37.715 38.460 0.115 0.000 0.984 2812 Y HN 0.181 nan 8.280 nan 0.000 0.550 2813 E N 0.263 120.558 120.200 0.158 0.000 2.033 2813 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 2813 E C 2.102 178.695 176.600 -0.011 0.000 0.979 2813 E CA 1.047 57.482 56.400 0.059 0.000 0.802 2813 E CB -0.377 29.338 29.700 0.024 0.000 0.763 2813 E HN 0.386 nan 8.360 nan 0.000 0.449 2814 I N 0.517 121.043 120.570 -0.073 0.000 2.208 2814 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 2814 I C 2.348 178.396 176.117 -0.116 0.000 1.097 2814 I CA 0.872 62.087 61.300 -0.140 0.000 1.363 2814 I CB -0.223 37.655 38.000 -0.202 0.000 1.051 2814 I HN 0.183 nan 8.210 nan 0.000 0.413 2815 L N 0.391 121.543 121.223 -0.117 0.000 2.353 2815 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 2815 L C 1.624 178.505 176.870 0.019 0.000 1.133 2815 L CA 1.216 56.024 54.840 -0.053 0.000 0.798 2815 L CB -0.353 41.738 42.059 0.053 0.000 0.922 2815 L HN 0.371 nan 8.230 nan 0.000 0.445 2816 N N -0.595 118.121 118.700 0.027 0.000 2.251 2816 N HA 0.142 4.881 4.740 -0.000 0.000 0.217 2816 N C -0.082 175.426 175.510 -0.002 0.000 1.124 2816 N CA -0.127 52.940 53.050 0.028 0.000 0.843 2816 N CB 0.435 38.950 38.487 0.048 0.000 1.024 2816 N HN 0.256 nan 8.380 nan 0.000 0.501 2817 M N 1.803 121.388 119.600 -0.025 0.000 2.084 2817 M HA 0.189 4.669 4.480 -0.000 0.000 0.351 2817 M C -1.303 174.983 176.300 -0.023 0.000 1.240 2817 M CA -1.695 53.582 55.300 -0.037 0.000 1.083 2817 M CB 1.570 34.126 32.600 -0.074 0.000 1.593 2817 M HN -0.075 nan 8.290 nan 0.000 0.463 2818 P HA -0.143 nan 4.420 nan 0.000 0.215 2818 P C 0.334 177.630 177.300 -0.007 0.000 1.157 2818 P CA 1.605 64.699 63.100 -0.009 0.000 0.863 2818 P CB 0.073 31.768 31.700 -0.008 0.000 0.787 2819 N N -0.252 118.441 118.700 -0.011 0.000 2.463 2819 N HA 0.053 4.793 4.740 -0.000 0.000 0.181 2819 N C 0.960 176.472 175.510 0.003 0.000 1.078 2819 N CA 0.319 53.366 53.050 -0.005 0.000 0.902 2819 N CB -0.059 38.424 38.487 -0.008 0.000 0.970 2819 N HN 0.273 nan 8.380 nan 0.000 0.451 2820 L N 2.198 123.422 121.223 0.001 0.000 2.417 2820 L HA 0.094 4.434 4.340 -0.000 0.000 0.268 2820 L C 0.500 177.384 176.870 0.024 0.000 1.158 2820 L CA -0.690 54.165 54.840 0.024 0.000 0.819 2820 L CB 0.420 42.495 42.059 0.026 0.000 1.112 2820 L HN 0.147 nan 8.230 nan 0.000 0.458 2821 N N 0.387 119.107 118.700 0.033 0.000 2.493 2821 N HA 0.059 4.798 4.740 -0.000 0.000 0.275 2821 N C 0.540 176.063 175.510 0.021 0.000 1.186 2821 N CA -0.641 52.422 53.050 0.021 0.000 0.978 2821 N CB 0.720 39.217 38.487 0.018 0.000 1.184 2821 N HN 0.428 nan 8.380 nan 0.000 0.487 2822 E N 0.446 120.653 120.200 0.012 0.000 2.114 2822 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 2822 E C 1.722 178.325 176.600 0.005 0.000 1.008 2822 E CA 1.918 58.322 56.400 0.007 0.000 0.810 2822 E CB -0.633 29.070 29.700 0.005 0.000 0.739 2822 E HN 0.777 nan 8.360 nan 0.000 0.456 2823 A N 0.767 123.588 122.820 0.002 0.000 1.933 2823 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 2823 A C 2.084 179.661 177.584 -0.012 0.000 1.175 2823 A CA 1.611 53.643 52.037 -0.009 0.000 0.628 2823 A CB -0.411 18.581 19.000 -0.013 0.000 0.814 2823 A HN 0.277 nan 8.150 nan 0.000 0.444 2824 Q N -1.218 118.594 119.800 0.020 0.000 2.137 2824 Q HA -0.077 4.262 4.340 -0.000 0.000 0.198 2824 Q C 2.347 178.440 176.000 0.154 0.000 0.960 2824 Q CA 1.178 57.020 55.803 0.064 0.000 0.847 2824 Q CB -0.136 28.689 28.738 0.146 0.000 0.915 2824 Q HN 0.680 nan 8.270 nan 0.000 0.448 2825 R N 0.792 121.352 120.500 0.101 0.000 2.081 2825 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 2825 R C 1.490 177.791 176.300 0.001 0.000 1.131 2825 R CA 1.454 57.592 56.100 0.062 0.000 0.960 2825 R CB 0.093 30.390 30.300 -0.005 0.000 0.856 2825 R HN 0.241 nan 8.270 nan 0.000 0.436 2826 N N -0.469 118.217 118.700 -0.022 0.000 2.409 2826 N HA -0.051 4.688 4.740 -0.000 0.000 0.179 2826 N C 1.499 176.977 175.510 -0.053 0.000 1.032 2826 N CA 1.124 54.145 53.050 -0.048 0.000 0.898 2826 N CB -0.211 38.258 38.487 -0.030 0.000 0.971 2826 N HN 0.359 nan 8.380 nan 0.000 0.441 2827 G N 0.129 108.887 108.800 -0.071 0.000 2.404 2827 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.214 2827 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.214 2827 G C 1.277 176.067 174.900 -0.183 0.000 1.189 2827 G CA 0.105 45.110 45.100 -0.159 0.000 0.789 2827 G HN 0.207 nan 8.290 nan 0.000 0.533 2828 F N 0.592 120.496 119.950 -0.076 0.000 2.269 2828 F HA 0.072 4.599 4.527 -0.000 0.000 0.301 2828 F C 2.478 178.211 175.800 -0.112 0.000 1.082 2828 F CA 0.611 58.561 58.000 -0.083 0.000 1.360 2828 F CB -0.013 38.933 39.000 -0.091 0.000 1.041 2828 F HN 0.073 nan 8.300 nan 0.000 0.512 2829 I N -0.935 119.633 120.570 -0.003 0.000 2.500 2829 I HA -0.191 3.979 4.170 -0.000 0.000 0.252 2829 I C 2.413 178.524 176.117 -0.010 0.000 1.142 2829 I CA 0.535 61.764 61.300 -0.118 0.000 1.451 2829 I CB -0.318 37.479 38.000 -0.339 0.000 1.093 2829 I HN 0.067 nan 8.210 nan 0.000 0.430 2830 Q N 0.576 120.367 119.800 -0.015 0.000 2.124 2830 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 2830 Q C 2.399 178.406 176.000 0.012 0.000 0.977 2830 Q CA 1.639 57.442 55.803 0.000 0.000 0.850 2830 Q CB -0.169 28.553 28.738 -0.028 0.000 0.901 2830 Q HN 0.398 nan 8.270 nan 0.000 0.429 2831 S N 0.682 116.385 115.700 0.004 0.000 2.355 2831 S HA -0.054 4.416 4.470 -0.000 0.000 0.222 2831 S C 2.040 176.673 174.600 0.055 0.000 1.031 2831 S CA 0.719 58.933 58.200 0.024 0.000 0.993 2831 S CB -0.224 62.992 63.200 0.028 0.000 0.859 2831 S HN 0.338 nan 8.310 nan 0.000 0.453 2832 L N 1.257 122.523 121.223 0.071 0.000 2.127 2832 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 2832 L C 2.539 179.465 176.870 0.093 0.000 1.089 2832 L CA 1.293 56.185 54.840 0.088 0.000 0.757 2832 L CB -0.410 41.713 42.059 0.107 0.000 0.899 2832 L HN 0.317 nan 8.230 nan 0.000 0.434 2833 K N 0.045 120.500 120.400 0.091 0.000 2.076 2833 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 2833 K C 1.584 178.224 176.600 0.067 0.000 1.051 2833 K CA 1.348 57.685 56.287 0.083 0.000 0.949 2833 K CB 0.116 32.667 32.500 0.084 0.000 0.726 2833 K HN 0.126 nan 8.250 nan 0.000 0.443 2834 D N 0.644 121.075 120.400 0.052 0.000 2.144 2834 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 2834 D C 0.024 176.352 176.300 0.046 0.000 0.984 2834 D CA 1.312 55.336 54.000 0.040 0.000 0.834 2834 D CB 0.081 40.895 40.800 0.024 0.000 0.955 2834 D HN 0.228 nan 8.370 nan 0.000 0.465 2835 D N -1.843 118.590 120.400 0.055 0.000 2.752 2835 D HA 0.084 4.724 4.640 -0.000 0.000 0.242 2835 D C -2.107 174.236 176.300 0.072 0.000 1.295 2835 D CA -1.204 52.830 54.000 0.058 0.000 0.846 2835 D CB 1.005 41.830 40.800 0.043 0.000 1.454 2835 D HN -0.143 nan 8.370 nan 0.000 0.535 2836 P HA -0.205 nan 4.420 nan 0.000 0.222 2836 P C 1.315 178.674 177.300 0.098 0.000 1.142 2836 P CA 0.892 64.055 63.100 0.105 0.000 0.788 2836 P CB 0.142 31.935 31.700 0.156 0.000 0.767 2837 S N -0.408 115.344 115.700 0.087 0.000 2.419 2837 S HA -0.159 4.310 4.470 -0.000 0.000 0.233 2837 S C 1.862 176.497 174.600 0.057 0.000 1.016 2837 S CA 0.793 59.034 58.200 0.070 0.000 0.974 2837 S CB -0.982 62.250 63.200 0.052 0.000 0.786 2837 S HN 0.195 nan 8.310 nan 0.000 0.492 2838 Q N 0.859 120.693 119.800 0.056 0.000 2.365 2838 Q HA 0.253 4.593 4.340 -0.000 0.000 0.203 2838 Q C 1.653 177.686 176.000 0.054 0.000 0.929 2838 Q CA 0.174 56.007 55.803 0.051 0.000 0.948 2838 Q CB -0.061 28.707 28.738 0.051 0.000 1.043 2838 Q HN 0.607 nan 8.270 nan 0.000 0.505 2839 S N 0.700 116.434 115.700 0.057 0.000 2.389 2839 S HA -0.206 4.264 4.470 -0.000 0.000 0.231 2839 S C 1.932 176.555 174.600 0.038 0.000 1.052 2839 S CA 2.095 60.327 58.200 0.052 0.000 1.053 2839 S CB -0.243 62.988 63.200 0.052 0.000 0.886 2839 S HN 0.487 nan 8.310 nan 0.000 0.456 2840 T N 2.209 116.784 114.554 0.034 0.000 2.737 2840 T HA -0.063 4.286 4.350 -0.000 0.000 0.265 2840 T C 1.616 176.327 174.700 0.018 0.000 1.038 2840 T CA 1.606 63.719 62.100 0.022 0.000 1.144 2840 T CB -0.566 68.315 68.868 0.022 0.000 0.866 2840 T HN 0.452 nan 8.240 nan 0.000 0.434 2841 N N 0.801 119.519 118.700 0.029 0.000 2.188 2841 N HA -0.016 4.724 4.740 -0.000 0.000 0.184 2841 N C 1.792 177.332 175.510 0.050 0.000 1.018 2841 N CA 0.482 53.553 53.050 0.034 0.000 0.858 2841 N CB -0.489 38.021 38.487 0.039 0.000 0.989 2841 N HN 0.131 nan 8.380 nan 0.000 0.426 2842 V N 0.738 120.692 119.914 0.068 0.000 2.427 2842 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 2842 V C 2.111 178.228 176.094 0.038 0.000 1.051 2842 V CA 0.956 63.332 62.300 0.126 0.000 1.048 2842 V CB -0.477 31.430 31.823 0.141 0.000 0.666 2842 V HN 0.270 nan 8.190 nan 0.000 0.456 2843 L N 1.466 122.677 121.223 -0.020 0.000 2.046 2843 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 2843 L C 2.335 179.120 176.870 -0.142 0.000 1.077 2843 L CA 2.484 57.263 54.840 -0.101 0.000 0.747 2843 L CB -1.467 40.561 42.059 -0.051 0.000 0.896 2843 L HN 0.256 nan 8.230 nan 0.000 0.432 2844 G N -0.898 107.860 108.800 -0.070 0.000 2.491 2844 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 2844 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 2844 G C 1.418 176.268 174.900 -0.084 0.000 1.180 2844 G CA 0.748 45.811 45.100 -0.061 0.000 0.774 2844 G HN 0.448 nan 8.290 nan 0.000 0.562 2845 E N 0.902 121.079 120.200 -0.038 0.000 2.118 2845 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 2845 E C 2.920 179.405 176.600 -0.191 0.000 0.992 2845 E CA 1.112 57.526 56.400 0.024 0.000 0.804 2845 E CB -0.598 29.255 29.700 0.254 0.000 0.741 2845 E HN 0.386 nan 8.360 nan 0.000 0.458 2846 A N 1.366 123.734 122.820 -0.752 0.000 1.898 2846 A HA -0.204 4.115 4.320 -0.000 0.000 0.216 2846 A C 2.169 179.444 177.584 -0.515 0.000 1.181 2846 A CA 1.893 53.123 52.037 -1.346 0.000 0.620 2846 A CB -0.383 17.650 19.000 -1.611 0.000 0.819 2846 A HN 0.169 nan 8.150 nan 0.000 0.442 2847 K N -0.102 120.102 120.400 -0.327 0.000 2.097 2847 K HA -0.142 4.177 4.320 -0.000 0.000 0.206 2847 K C 2.094 178.625 176.600 -0.116 0.000 1.049 2847 K CA 1.764 57.944 56.287 -0.177 0.000 0.933 2847 K CB -0.151 32.274 32.500 -0.124 0.000 0.717 2847 K HN 0.418 nan 8.250 nan 0.000 0.442 2848 K N 0.126 120.468 120.400 -0.097 0.000 2.211 2848 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 2848 K C 1.909 178.493 176.600 -0.027 0.000 1.050 2848 K CA 0.816 57.077 56.287 -0.043 0.000 0.945 2848 K CB 0.040 32.530 32.500 -0.017 0.000 0.732 2848 K HN 0.114 nan 8.250 nan 0.000 0.451 2849 L N 1.020 122.218 121.223 -0.041 0.000 2.102 2849 L HA 0.024 4.364 4.340 -0.000 0.000 0.202 2849 L C 1.748 178.608 176.870 -0.016 0.000 1.076 2849 L CA 1.637 56.480 54.840 0.006 0.000 0.761 2849 L CB -0.777 41.333 42.059 0.085 0.000 0.921 2849 L HN 0.167 nan 8.230 nan 0.000 0.444 2850 N N -0.218 118.444 118.700 -0.062 0.000 2.149 2850 N HA -0.278 4.462 4.740 -0.000 0.000 0.188 2850 N C 1.906 177.396 175.510 -0.033 0.000 1.019 2850 N CA 1.554 54.574 53.050 -0.050 0.000 0.857 2850 N CB -0.208 38.231 38.487 -0.080 0.000 0.997 2850 N HN 0.568 nan 8.380 nan 0.000 0.426 2851 E N 0.037 120.215 120.200 -0.037 0.000 2.049 2851 E HA -0.262 4.087 4.350 -0.000 0.000 0.198 2851 E C 1.782 178.374 176.600 -0.013 0.000 1.007 2851 E CA 2.064 58.450 56.400 -0.024 0.000 0.809 2851 E CB -0.356 29.329 29.700 -0.025 0.000 0.749 2851 E HN 0.553 nan 8.360 nan 0.000 0.450 2852 S N 0.168 115.863 115.700 -0.007 0.000 2.368 2852 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 2852 S C 1.915 176.516 174.600 0.002 0.000 1.029 2852 S CA 1.126 59.326 58.200 0.000 0.000 0.988 2852 S CB -0.349 62.856 63.200 0.007 0.000 0.838 2852 S HN 0.365 nan 8.310 nan 0.000 0.462 2853 Q N 1.342 121.144 119.800 0.003 0.000 2.482 2853 Q HA 0.339 4.679 4.340 -0.000 0.000 0.209 2853 Q C 0.476 176.476 176.000 0.000 0.000 0.961 2853 Q CA 0.326 56.132 55.803 0.005 0.000 0.945 2853 Q CB -0.248 28.497 28.738 0.011 0.000 1.012 2853 Q HN 0.718 nan 8.270 nan 0.000 0.515 2854 A N 2.792 125.610 122.820 -0.004 0.000 2.438 2854 A HA 0.130 4.450 4.320 -0.000 0.000 0.280 2854 A C -1.144 176.438 177.584 -0.003 0.000 1.160 2854 A CA -1.121 50.913 52.037 -0.005 0.000 0.821 2854 A CB 0.163 19.158 19.000 -0.009 0.000 1.101 2854 A HN 0.101 nan 8.150 nan 0.000 0.515 2855 P HA -0.045 nan 4.420 nan 0.000 0.214 2855 P C 0.293 177.592 177.300 -0.002 0.000 1.162 2855 P CA 0.783 63.883 63.100 -0.001 0.000 0.874 2855 P CB -0.033 31.667 31.700 -0.000 0.000 0.784 2856 K N 0.000 120.399 120.400 -0.002 0.000 2.780 2856 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2856 K CA 0.000 56.285 56.287 -0.002 0.000 0.838 2856 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 2856 K HN 0.000 nan 8.250 nan 0.000 0.543