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 3i71_1_A DATA FIRST_RESID 110 DATA SEQUENCE SADELLALLT SVRQGMTAGE VAAHFGWPLE KARNALEQLF SAGTLRKRSS DATA SEQUENCE RYRLKP 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 110 S HA 0.000 nan 4.470 nan 0.000 0.327 110 S C 0.000 174.590 174.600 -0.016 0.000 1.055 110 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 110 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 111 A N 0.511 123.332 122.820 0.002 0.000 2.640 111 A HA 0.345 4.664 4.320 -0.003 0.000 0.282 111 A C 0.928 178.545 177.584 0.055 0.000 1.357 111 A CA -0.064 51.992 52.037 0.031 0.000 0.946 111 A CB -0.769 18.252 19.000 0.035 0.000 1.065 111 A HN 0.722 nan 8.150 nan 0.000 0.541 112 D N 1.071 121.501 120.400 0.050 0.000 2.144 112 D HA -0.174 4.465 4.640 -0.003 0.000 0.199 112 D C 1.667 178.021 176.300 0.090 0.000 0.984 112 D CA 1.742 55.778 54.000 0.060 0.000 0.834 112 D CB 0.011 40.842 40.800 0.052 0.000 0.955 112 D HN 0.746 nan 8.370 nan 0.000 0.465 113 E N 0.371 120.635 120.200 0.106 0.000 2.072 113 E HA -0.118 4.230 4.350 -0.003 0.000 0.190 113 E C 2.091 178.840 176.600 0.250 0.000 0.982 113 E CA 0.235 56.745 56.400 0.184 0.000 0.803 113 E CB -0.133 29.680 29.700 0.189 0.000 0.755 113 E HN 0.085 nan 8.360 nan 0.000 0.453 114 L N 1.030 122.340 121.223 0.146 0.000 2.017 114 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 114 L C 2.016 178.982 176.870 0.159 0.000 1.073 114 L CA 1.540 56.499 54.840 0.199 0.000 0.745 114 L CB -0.438 41.727 42.059 0.177 0.000 0.894 114 L HN 0.102 nan 8.230 nan 0.000 0.432 115 L N -0.245 121.046 121.223 0.113 0.000 2.056 115 L HA -0.066 4.273 4.340 -0.003 0.000 0.207 115 L C 2.702 179.612 176.870 0.066 0.000 1.078 115 L CA 1.875 56.762 54.840 0.079 0.000 0.749 115 L CB -1.808 40.289 42.059 0.063 0.000 0.901 115 L HN 0.362 nan 8.230 nan 0.000 0.433 116 A N -0.639 122.228 122.820 0.078 0.000 1.883 116 A HA -0.236 4.083 4.320 -0.003 0.000 0.217 116 A C 2.268 179.873 177.584 0.034 0.000 1.186 116 A CA 1.924 53.997 52.037 0.060 0.000 0.624 116 A CB -0.962 18.084 19.000 0.077 0.000 0.822 116 A HN 0.352 nan 8.150 nan 0.000 0.444 117 L N -0.087 121.162 121.223 0.044 0.000 1.990 117 L HA -0.157 4.181 4.340 -0.003 0.000 0.213 117 L C 2.249 179.077 176.870 -0.069 0.000 1.072 117 L CA 1.952 56.750 54.840 -0.071 0.000 0.755 117 L CB -0.625 41.340 42.059 -0.156 0.000 0.889 117 L HN 0.413 nan 8.230 nan 0.000 0.432 118 L N -1.252 119.964 121.223 -0.013 0.000 2.275 118 L HA -0.163 4.175 4.340 -0.003 0.000 0.215 118 L C 2.267 179.132 176.870 -0.007 0.000 1.119 118 L CA 1.225 56.059 54.840 -0.010 0.000 0.790 118 L CB -0.934 41.139 42.059 0.023 0.000 0.919 118 L HN 0.306 nan 8.230 nan 0.000 0.443 119 T N -0.742 113.813 114.554 0.001 0.000 2.720 119 T HA -0.166 4.182 4.350 -0.003 0.000 0.268 119 T C 2.113 176.807 174.700 -0.010 0.000 1.037 119 T CA 1.729 63.831 62.100 0.002 0.000 1.144 119 T CB -0.037 68.837 68.868 0.010 0.000 0.864 119 T HN 0.351 nan 8.240 nan 0.000 0.444 120 S N 0.932 116.617 115.700 -0.024 0.000 2.335 120 S HA -0.006 4.463 4.470 -0.003 0.000 0.216 120 S C 1.138 175.717 174.600 -0.036 0.000 1.032 120 S CA 0.472 58.653 58.200 -0.031 0.000 1.000 120 S CB -0.309 62.864 63.200 -0.047 0.000 0.928 120 S HN 0.288 nan 8.310 nan 0.000 0.434 121 V N 3.795 123.678 119.914 -0.051 0.000 2.382 121 V HA 0.137 4.255 4.120 -0.003 0.000 0.250 121 V C 1.405 177.479 176.094 -0.033 0.000 1.069 121 V CA 0.248 62.518 62.300 -0.051 0.000 1.130 121 V CB -0.470 31.309 31.823 -0.074 0.000 1.165 121 V HN 0.308 nan 8.190 nan 0.000 0.483 122 R N 3.042 123.527 120.500 -0.025 0.000 2.148 122 R HA -0.142 4.196 4.340 -0.003 0.000 0.223 122 R C 2.084 178.375 176.300 -0.015 0.000 1.088 122 R CA 1.316 57.407 56.100 -0.016 0.000 0.985 122 R CB 0.184 30.477 30.300 -0.012 0.000 0.880 122 R HN 0.748 nan 8.270 nan 0.000 0.451 123 Q N -0.195 119.593 119.800 -0.020 0.000 2.378 123 Q HA 0.091 4.429 4.340 -0.003 0.000 0.205 123 Q C 0.243 176.229 176.000 -0.024 0.000 0.954 123 Q CA 1.002 56.793 55.803 -0.021 0.000 0.901 123 Q CB 0.468 29.192 28.738 -0.023 0.000 0.981 123 Q HN 0.351 nan 8.270 nan 0.000 0.483 124 G N -0.648 108.136 108.800 -0.026 0.000 2.603 124 G HA2 -0.084 3.875 3.960 -0.003 0.000 0.686 124 G HA3 -0.084 3.875 3.960 -0.003 0.000 0.686 124 G C -0.915 173.964 174.900 -0.035 0.000 1.286 124 G CA -0.306 44.778 45.100 -0.027 0.000 0.871 124 G HN 0.230 nan 8.290 nan 0.000 0.568 125 M N 0.454 120.035 119.600 -0.032 0.000 2.550 125 M HA 0.546 5.025 4.480 -0.003 0.000 0.292 125 M C 0.631 176.917 176.300 -0.024 0.000 1.221 125 M CA -0.505 54.775 55.300 -0.034 0.000 0.873 125 M CB 2.705 35.281 32.600 -0.040 0.000 1.727 125 M HN 1.104 nan 8.290 nan 0.000 0.459 126 T N -1.121 113.420 114.554 -0.022 0.000 2.847 126 T HA 0.579 4.928 4.350 -0.003 0.000 0.279 126 T C 1.069 175.777 174.700 0.012 0.000 0.984 126 T CA -0.213 61.877 62.100 -0.017 0.000 0.988 126 T CB 1.380 70.234 68.868 -0.023 0.000 1.040 126 T HN 0.723 nan 8.240 nan 0.000 0.528 127 A N 1.107 123.941 122.820 0.024 0.000 1.940 127 A HA 0.122 4.441 4.320 -0.003 0.000 0.219 127 A C 2.436 180.064 177.584 0.074 0.000 1.176 127 A CA 1.898 53.974 52.037 0.064 0.000 0.631 127 A CB -1.710 17.327 19.000 0.061 0.000 0.814 127 A HN 1.103 nan 8.150 nan 0.000 0.446 128 G N -0.593 108.233 108.800 0.044 0.000 2.418 128 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.217 128 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.217 128 G C 1.424 176.344 174.900 0.033 0.000 1.158 128 G CA 1.007 46.131 45.100 0.041 0.000 0.771 128 G HN 0.651 nan 8.290 nan 0.000 0.545 129 E N -0.221 119.988 120.200 0.015 0.000 2.106 129 E HA -0.061 4.288 4.350 -0.003 0.000 0.192 129 E C 2.715 179.316 176.600 0.001 0.000 0.984 129 E CA 0.775 57.173 56.400 -0.004 0.000 0.806 129 E CB -0.043 29.641 29.700 -0.026 0.000 0.750 129 E HN 0.299 nan 8.360 nan 0.000 0.458 130 V N 1.171 121.106 119.914 0.035 0.000 2.358 130 V HA -0.254 3.865 4.120 -0.003 0.000 0.246 130 V C 2.284 178.449 176.094 0.118 0.000 1.047 130 V CA 1.789 64.139 62.300 0.083 0.000 1.035 130 V CB -0.658 31.265 31.823 0.166 0.000 0.658 130 V HN 0.326 nan 8.190 nan 0.000 0.452 131 A N 0.088 122.997 122.820 0.148 0.000 1.902 131 A HA -0.145 4.173 4.320 -0.003 0.000 0.217 131 A C 2.430 180.061 177.584 0.078 0.000 1.181 131 A CA 2.209 54.353 52.037 0.178 0.000 0.623 131 A CB -0.833 18.270 19.000 0.173 0.000 0.818 131 A HN 0.567 nan 8.150 nan 0.000 0.443 132 A N -1.312 121.529 122.820 0.035 0.000 1.902 132 A HA -0.226 4.093 4.320 -0.003 0.000 0.217 132 A C 2.166 179.702 177.584 -0.080 0.000 1.181 132 A CA 1.774 53.804 52.037 -0.010 0.000 0.623 132 A CB -0.997 17.997 19.000 -0.010 0.000 0.818 132 A HN 0.760 nan 8.150 nan 0.000 0.443 133 H N -1.554 117.376 119.070 -0.233 0.000 2.321 133 H HA -0.114 4.441 4.556 -0.003 0.000 0.300 133 H C 1.550 176.545 175.328 -0.555 0.000 1.087 133 H CA 2.105 57.897 56.048 -0.426 0.000 1.319 133 H CB -0.192 29.203 29.762 -0.613 0.000 1.379 133 H HN 0.528 nan 8.280 nan 0.000 0.501 134 F N -0.292 119.433 119.950 -0.375 0.000 2.754 134 F HA 0.181 4.706 4.527 -0.002 0.000 0.297 134 F C 1.847 177.408 175.800 -0.399 0.000 1.122 134 F CA 0.526 58.150 58.000 -0.626 0.000 1.400 134 F CB 0.495 38.557 39.000 -1.564 0.000 1.117 134 F HN 0.354 nan 8.300 nan 0.000 0.587 135 G N -0.137 108.624 108.800 -0.066 0.000 2.198 135 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.257 135 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.257 135 G C -0.269 174.773 174.900 0.238 0.000 1.042 135 G CA -0.442 44.694 45.100 0.059 0.000 0.791 135 G HN 0.155 nan 8.290 nan 0.000 0.502 136 W N -0.314 121.067 121.300 0.134 0.000 2.381 136 W HA 0.554 5.213 4.660 -0.002 0.000 0.329 136 W C -1.742 174.815 176.519 0.064 0.000 1.157 136 W CA -3.108 54.290 57.345 0.090 0.000 1.240 136 W CB 0.011 29.525 29.460 0.090 0.000 1.199 136 W HN 0.021 nan 8.180 nan 0.000 0.579 137 P HA -0.091 nan 4.420 nan 0.000 0.267 137 P C 1.077 178.477 177.300 0.167 0.000 1.200 137 P CA -0.197 62.996 63.100 0.156 0.000 0.772 137 P CB 0.696 32.446 31.700 0.082 0.000 0.855 138 L N 2.414 123.711 121.223 0.123 0.000 2.042 138 L HA -0.176 4.163 4.340 -0.003 0.000 0.210 138 L C 2.019 178.946 176.870 0.095 0.000 1.076 138 L CA 1.984 56.892 54.840 0.113 0.000 0.749 138 L CB -1.289 40.816 42.059 0.077 0.000 0.893 138 L HN 0.384 nan 8.230 nan 0.000 0.432 139 E N -0.486 119.753 120.200 0.064 0.000 2.110 139 E HA -0.255 4.093 4.350 -0.003 0.000 0.193 139 E C 2.172 178.786 176.600 0.024 0.000 0.988 139 E CA 0.999 57.422 56.400 0.038 0.000 0.804 139 E CB -0.144 29.567 29.700 0.019 0.000 0.745 139 E HN 0.488 nan 8.360 nan 0.000 0.458 140 K N 0.617 121.025 120.400 0.013 0.000 2.026 140 K HA -0.085 4.234 4.320 -0.003 0.000 0.208 140 K C 2.111 178.709 176.600 -0.003 0.000 1.048 140 K CA 1.240 57.485 56.287 -0.071 0.000 0.929 140 K CB -0.090 32.300 32.500 -0.184 0.000 0.713 140 K HN 0.049 nan 8.250 nan 0.000 0.439 141 A N 1.521 124.463 122.820 0.203 0.000 1.883 141 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 141 A C 2.138 179.828 177.584 0.176 0.000 1.186 141 A CA 1.702 53.939 52.037 0.334 0.000 0.624 141 A CB -0.525 18.692 19.000 0.360 0.000 0.822 141 A HN 0.358 nan 8.150 nan 0.000 0.444 142 R N -0.452 120.115 120.500 0.112 0.000 2.066 142 R HA -0.092 4.247 4.340 -0.003 0.000 0.232 142 R C 2.110 178.445 176.300 0.058 0.000 1.131 142 R CA 1.659 57.804 56.100 0.075 0.000 0.955 142 R CB -0.460 29.874 30.300 0.055 0.000 0.851 142 R HN 0.705 nan 8.270 nan 0.000 0.432 143 N N 0.194 118.915 118.700 0.035 0.000 2.120 143 N HA -0.154 4.585 4.740 -0.003 0.000 0.188 143 N C 1.786 177.304 175.510 0.014 0.000 1.024 143 N CA 0.879 53.938 53.050 0.015 0.000 0.852 143 N CB -0.083 38.394 38.487 -0.018 0.000 1.003 143 N HN 0.223 nan 8.380 nan 0.000 0.424 144 A N 1.276 124.098 122.820 0.003 0.000 1.898 144 A HA -0.073 4.245 4.320 -0.003 0.000 0.216 144 A C 2.157 179.785 177.584 0.073 0.000 1.181 144 A CA 0.986 53.029 52.037 0.008 0.000 0.620 144 A CB -0.651 18.335 19.000 -0.022 0.000 0.819 144 A HN 0.146 nan 8.150 nan 0.000 0.442 145 L N -0.718 120.568 121.223 0.104 0.000 2.056 145 L HA -0.154 4.185 4.340 -0.003 0.000 0.207 145 L C 2.666 179.612 176.870 0.125 0.000 1.078 145 L CA 1.242 56.147 54.840 0.109 0.000 0.749 145 L CB -0.508 41.605 42.059 0.090 0.000 0.901 145 L HN 0.310 nan 8.230 nan 0.000 0.433 146 E N -0.040 120.229 120.200 0.114 0.000 2.077 146 E HA -0.244 4.105 4.350 -0.003 0.000 0.193 146 E C 2.171 178.874 176.600 0.172 0.000 0.989 146 E CA 1.054 57.555 56.400 0.169 0.000 0.800 146 E CB -0.144 29.629 29.700 0.121 0.000 0.746 146 E HN 0.519 nan 8.360 nan 0.000 0.452 147 Q N 0.096 119.953 119.800 0.096 0.000 2.061 147 Q HA -0.130 4.209 4.340 -0.003 0.000 0.204 147 Q C 2.449 178.489 176.000 0.066 0.000 0.984 147 Q CA 1.048 56.886 55.803 0.058 0.000 0.846 147 Q CB -0.078 28.674 28.738 0.024 0.000 0.902 147 Q HN 0.281 nan 8.270 nan 0.000 0.421 148 L N -0.528 120.751 121.223 0.093 0.000 2.156 148 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 148 L C 2.259 179.210 176.870 0.135 0.000 1.095 148 L CA 0.544 55.440 54.840 0.093 0.000 0.770 148 L CB -0.384 41.732 42.059 0.096 0.000 0.914 148 L HN 0.216 nan 8.230 nan 0.000 0.439 149 F N 0.199 120.159 119.950 0.017 0.000 2.102 149 F HA -0.242 4.284 4.527 -0.002 0.000 0.298 149 F C 2.782 178.589 175.800 0.011 0.000 1.105 149 F CA 1.719 59.729 58.000 0.015 0.000 1.239 149 F CB -0.490 38.520 39.000 0.018 0.000 0.991 149 F HN -0.049 nan 8.300 nan 0.000 0.474 150 S N 0.033 115.650 115.700 -0.139 0.000 2.382 150 S HA -0.138 4.331 4.470 -0.003 0.000 0.228 150 S C 2.183 176.680 174.600 -0.172 0.000 1.027 150 S CA 1.080 59.135 58.200 -0.241 0.000 0.991 150 S CB -0.808 62.343 63.200 -0.082 0.000 0.823 150 S HN 0.518 nan 8.310 nan 0.000 0.469 151 A N -0.188 122.582 122.820 -0.084 0.000 2.168 151 A HA 0.390 4.709 4.320 -0.003 0.000 0.215 151 A C 1.778 179.325 177.584 -0.062 0.000 1.152 151 A CA 1.212 53.215 52.037 -0.056 0.000 0.716 151 A CB -1.101 17.888 19.000 -0.017 0.000 0.794 151 A HN 1.382 nan 8.150 nan 0.000 0.465 152 G N -2.487 106.260 108.800 -0.087 0.000 2.157 152 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.248 152 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.248 152 G C 0.853 175.753 174.900 -0.001 0.000 0.979 152 G CA 0.969 46.031 45.100 -0.063 0.000 0.650 152 G HN 0.459 nan 8.290 nan 0.000 0.529 153 T N 0.147 114.715 114.554 0.025 0.000 2.942 153 T HA 0.343 4.691 4.350 -0.003 0.000 0.265 153 T C 1.148 175.893 174.700 0.074 0.000 1.062 153 T CA 1.100 63.226 62.100 0.044 0.000 1.139 153 T CB 0.140 69.035 68.868 0.045 0.000 0.883 153 T HN 0.394 nan 8.240 nan 0.000 0.468 154 L N 0.476 121.773 121.223 0.124 0.000 2.319 154 L HA 0.600 4.938 4.340 -0.003 0.000 0.267 154 L C -0.047 176.979 176.870 0.261 0.000 1.011 154 L CA -1.197 53.739 54.840 0.160 0.000 0.818 154 L CB 2.064 44.222 42.059 0.164 0.000 1.316 154 L HN -0.155 nan 8.230 nan 0.000 0.432 155 R N 0.872 121.487 120.500 0.192 0.000 2.643 155 R HA 0.538 4.877 4.340 -0.003 0.000 0.272 155 R C -0.885 175.444 176.300 0.049 0.000 0.995 155 R CA -0.781 55.445 56.100 0.211 0.000 1.032 155 R CB 1.900 32.267 30.300 0.112 0.000 1.126 155 R HN 0.411 nan 8.270 nan 0.000 0.505 156 K N 1.624 121.967 120.400 -0.096 0.000 2.541 156 K HA 0.264 4.583 4.320 -0.003 0.000 0.250 156 K C -1.183 175.297 176.600 -0.200 0.000 0.950 156 K CA -0.642 55.424 56.287 -0.368 0.000 0.805 156 K CB 1.649 33.460 32.500 -1.148 0.000 1.166 156 K HN 0.421 nan 8.250 nan 0.000 0.430 157 R N 2.614 123.030 120.500 -0.141 0.000 2.196 157 R HA 0.207 4.545 4.340 -0.003 0.000 0.340 157 R C -0.607 175.627 176.300 -0.111 0.000 1.043 157 R CA -0.161 55.885 56.100 -0.091 0.000 0.883 157 R CB 1.120 31.383 30.300 -0.062 0.000 1.078 157 R HN 0.577 nan 8.270 nan 0.000 0.462 158 S N 1.672 117.318 115.700 -0.090 0.000 2.572 158 S HA 0.020 4.489 4.470 -0.003 0.000 0.279 158 S C -0.117 174.443 174.600 -0.066 0.000 1.341 158 S CA -0.156 57.998 58.200 -0.075 0.000 1.043 158 S CB 0.978 64.161 63.200 -0.027 0.000 0.887 158 S HN 0.621 nan 8.310 nan 0.000 0.516 159 S N 2.825 118.479 115.700 -0.077 0.000 2.593 159 S HA 0.042 4.510 4.470 -0.003 0.000 0.300 159 S C 0.327 174.848 174.600 -0.131 0.000 1.267 159 S CA 0.358 58.470 58.200 -0.146 0.000 1.065 159 S CB 0.006 63.110 63.200 -0.161 0.000 0.807 159 S HN 0.461 nan 8.310 nan 0.000 0.499 160 R N 1.711 122.094 120.500 -0.196 0.000 2.599 160 R HA 0.451 4.789 4.340 -0.003 0.000 0.295 160 R C -1.502 174.677 176.300 -0.202 0.000 0.963 160 R CA -0.584 55.463 56.100 -0.088 0.000 0.883 160 R CB 1.337 31.619 30.300 -0.029 0.000 1.171 160 R HN 0.534 nan 8.270 nan 0.000 0.450 161 Y N 1.899 122.196 120.300 -0.005 0.000 2.393 161 Y HA 0.456 5.005 4.550 -0.002 0.000 0.341 161 Y C 0.340 176.239 175.900 -0.002 0.000 0.988 161 Y CA -0.898 57.200 58.100 -0.003 0.000 1.078 161 Y CB 1.568 40.027 38.460 -0.002 0.000 1.203 161 Y HN 0.443 nan 8.280 nan 0.000 0.453 162 R N 2.350 122.930 120.500 0.134 0.000 2.837 162 R HA 0.655 4.993 4.340 -0.003 0.000 0.271 162 R C -1.620 174.719 176.300 0.065 0.000 0.993 162 R CA -0.975 55.173 56.100 0.080 0.000 0.931 162 R CB 1.411 31.737 30.300 0.043 0.000 1.206 162 R HN 0.685 nan 8.270 nan 0.000 0.474 163 L N 2.399 123.650 121.223 0.046 0.000 2.485 163 L HA 0.118 4.456 4.340 -0.003 0.000 0.275 163 L C 0.427 177.313 176.870 0.027 0.000 1.207 163 L CA 0.235 55.095 54.840 0.033 0.000 0.855 163 L CB 0.487 42.560 42.059 0.023 0.000 1.114 163 L HN 0.577 nan 8.230 nan 0.000 0.485 164 K N 4.149 124.563 120.400 0.024 0.000 2.326 164 K HA 0.239 4.557 4.320 -0.003 0.000 0.275 164 K C -1.802 174.806 176.600 0.013 0.000 1.018 164 K CA -1.245 55.052 56.287 0.017 0.000 0.962 164 K CB 0.232 32.742 32.500 0.016 0.000 0.953 164 K HN 0.463 nan 8.250 nan 0.000 0.475 165 P HA 0.000 nan 4.420 nan 0.000 0.000 165 P CA 0.000 63.105 63.100 0.008 0.000 0.000 165 P CB 0.000 31.704 31.700 0.006 0.000 0.000