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 1ezv_1_I DATA FIRST_RESID 4 DATA SEQUENCE SSLYKTFFKR NAVFVGTIFA GAFVFQTVFD TAITSWYENH NKGKLWKDVK DATA SEQUENCE ARIAA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.664 174.600 0.107 0.000 1.055 4 S CA 0.000 58.244 58.200 0.074 0.000 1.107 4 S CB 0.000 63.256 63.200 0.093 0.000 0.593 5 S N 2.491 118.246 115.700 0.092 0.000 2.540 5 S HA 0.106 4.576 4.470 -0.001 0.000 0.218 5 S C 1.464 176.116 174.600 0.088 0.000 0.977 5 S CA -0.083 58.167 58.200 0.082 0.000 0.918 5 S CB 0.026 63.249 63.200 0.039 0.000 0.806 5 S HN 0.607 nan 8.310 nan 0.000 0.496 6 L N 0.665 121.968 121.223 0.134 0.000 2.141 6 L HA 0.072 4.411 4.340 -0.001 0.000 0.209 6 L C 1.765 178.805 176.870 0.284 0.000 1.094 6 L CA 1.656 56.602 54.840 0.177 0.000 0.763 6 L CB -0.518 41.671 42.059 0.216 0.000 0.908 6 L HN 0.365 nan 8.230 nan 0.000 0.437 7 Y N 0.224 120.641 120.300 0.195 0.000 2.220 7 Y HA -0.173 4.376 4.550 -0.001 0.000 0.291 7 Y C 2.313 178.335 175.900 0.203 0.000 1.129 7 Y CA 1.696 59.958 58.100 0.271 0.000 1.161 7 Y CB 0.059 38.634 38.460 0.192 0.000 0.997 7 Y HN 0.080 nan 8.280 nan 0.000 0.522 8 K N -0.347 120.173 120.400 0.200 0.000 2.555 8 K HA -0.072 4.247 4.320 -0.001 0.000 0.193 8 K C 1.722 178.285 176.600 -0.060 0.000 1.032 8 K CA 1.216 57.556 56.287 0.088 0.000 1.004 8 K CB -0.036 32.526 32.500 0.103 0.000 0.804 8 K HN 0.521 nan 8.250 nan 0.000 0.496 9 T N -2.424 112.031 114.554 -0.164 0.000 2.983 9 T HA 0.017 4.366 4.350 -0.001 0.000 0.250 9 T C 1.622 176.020 174.700 -0.502 0.000 1.037 9 T CA 0.404 62.289 62.100 -0.358 0.000 1.142 9 T CB -0.204 68.345 68.868 -0.532 0.000 0.876 9 T HN -0.023 nan 8.240 nan 0.000 0.455 10 F N 0.694 120.378 119.950 -0.442 0.000 2.147 10 F HA 0.371 4.897 4.527 -0.001 0.000 0.291 10 F C 1.701 176.965 175.800 -0.893 0.000 1.093 10 F CA 0.387 57.902 58.000 -0.809 0.000 1.263 10 F CB -0.226 37.969 39.000 -1.341 0.000 1.036 10 F HN 0.105 nan 8.300 nan 0.000 0.481 11 F N -0.753 119.085 119.950 -0.186 0.000 2.727 11 F HA 0.274 4.800 4.527 -0.001 0.000 0.302 11 F C 0.246 175.945 175.800 -0.170 0.000 1.107 11 F CA -0.701 57.124 58.000 -0.292 0.000 1.277 11 F CB -0.497 38.101 39.000 -0.671 0.000 1.079 11 F HN -0.313 nan 8.300 nan 0.000 0.594 12 K N 1.742 122.135 120.400 -0.012 0.000 4.387 12 K HA -0.288 4.031 4.320 -0.001 0.000 0.290 12 K C 0.812 177.497 176.600 0.141 0.000 0.936 12 K CA 0.696 57.020 56.287 0.061 0.000 0.890 12 K CB -1.156 31.361 32.500 0.028 0.000 1.617 12 K HN 0.563 nan 8.250 nan 0.000 0.437 13 R N -1.905 118.742 120.500 0.244 0.000 3.997 13 R HA -0.313 4.026 4.340 -0.001 0.000 0.431 13 R C -0.887 175.530 176.300 0.195 0.000 1.066 13 R CA 2.290 58.523 56.100 0.223 0.000 1.382 13 R CB -1.824 28.551 30.300 0.125 0.000 1.978 13 R HN 0.649 nan 8.270 nan 0.000 0.550 14 N N -0.034 118.782 118.700 0.193 0.000 2.492 14 N HA 0.587 5.326 4.740 -0.001 0.000 0.289 14 N C -0.189 175.341 175.510 0.034 0.000 1.133 14 N CA -0.263 52.847 53.050 0.101 0.000 0.961 14 N CB 1.187 39.741 38.487 0.111 0.000 1.186 14 N HN 0.425 nan 8.380 nan 0.000 0.493 15 A N 1.045 123.790 122.820 -0.125 0.000 2.406 15 A HA 0.209 4.529 4.320 -0.001 0.000 0.243 15 A C 0.083 177.274 177.584 -0.655 0.000 1.082 15 A CA -0.380 51.513 52.037 -0.240 0.000 0.786 15 A CB 0.243 19.127 19.000 -0.194 0.000 1.029 15 A HN 0.437 nan 8.150 nan 0.000 0.495 16 V N 1.598 121.151 119.914 -0.601 0.000 2.572 16 V HA 0.170 4.289 4.120 -0.001 0.000 0.291 16 V C -0.083 175.673 176.094 -0.564 0.000 1.039 16 V CA 0.381 62.221 62.300 -0.767 0.000 1.055 16 V CB -0.399 30.972 31.823 -0.752 0.000 0.969 16 V HN 0.578 nan 8.190 nan 0.000 0.482 17 F N 2.579 122.457 119.950 -0.119 0.000 2.377 17 F HA 0.320 4.846 4.527 -0.001 0.000 0.328 17 F C 1.468 177.159 175.800 -0.182 0.000 1.094 17 F CA -0.781 57.150 58.000 -0.115 0.000 1.093 17 F CB 1.107 40.068 39.000 -0.065 0.000 1.214 17 F HN 0.369 nan 8.300 nan 0.000 0.518 18 V N 0.603 120.480 119.914 -0.061 0.000 2.317 18 V HA -0.278 3.841 4.120 -0.001 0.000 0.251 18 V C 2.188 178.002 176.094 -0.467 0.000 1.065 18 V CA 2.174 64.234 62.300 -0.400 0.000 1.049 18 V CB -1.850 29.639 31.823 -0.557 0.000 0.651 18 V HN 1.065 nan 8.190 nan 0.000 0.450 19 G N 0.085 108.761 108.800 -0.207 0.000 2.440 19 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 19 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 19 G C 1.607 176.507 174.900 -0.001 0.000 1.154 19 G CA 1.604 46.652 45.100 -0.086 0.000 0.767 19 G HN 0.519 nan 8.290 nan 0.000 0.552 20 T N 1.570 116.147 114.554 0.037 0.000 2.821 20 T HA -0.013 4.336 4.350 -0.001 0.000 0.267 20 T C 2.343 177.069 174.700 0.043 0.000 1.046 20 T CA 0.647 62.788 62.100 0.069 0.000 1.139 20 T CB -0.008 68.936 68.868 0.125 0.000 0.871 20 T HN 0.088 nan 8.240 nan 0.000 0.454 21 I N 0.785 121.346 120.570 -0.014 0.000 2.202 21 I HA -0.078 4.092 4.170 -0.001 0.000 0.242 21 I C 2.189 178.433 176.117 0.213 0.000 1.091 21 I CA 1.355 62.666 61.300 0.018 0.000 1.368 21 I CB -1.158 36.800 38.000 -0.070 0.000 1.058 21 I HN 0.165 nan 8.210 nan 0.000 0.410 22 F N 1.482 121.453 119.950 0.035 0.000 2.134 22 F HA -0.142 4.384 4.527 -0.001 0.000 0.299 22 F C 2.706 178.526 175.800 0.035 0.000 1.097 22 F CA 0.989 59.032 58.000 0.072 0.000 1.264 22 F CB -1.534 37.479 39.000 0.021 0.000 1.001 22 F HN 0.053 nan 8.300 nan 0.000 0.479 23 A N 0.176 123.079 122.820 0.139 0.000 1.902 23 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 23 A C 2.617 180.275 177.584 0.122 0.000 1.181 23 A CA 1.740 53.778 52.037 0.002 0.000 0.623 23 A CB -1.518 17.480 19.000 -0.003 0.000 0.818 23 A HN 0.382 nan 8.150 nan 0.000 0.443 24 G N -0.635 108.250 108.800 0.142 0.000 2.432 24 G HA2 0.027 3.986 3.960 -0.001 0.000 0.219 24 G HA3 0.027 3.986 3.960 -0.001 0.000 0.219 24 G C 1.648 176.683 174.900 0.225 0.000 1.135 24 G CA 1.362 46.554 45.100 0.152 0.000 0.767 24 G HN 0.776 nan 8.290 nan 0.000 0.550 25 A N 0.394 123.376 122.820 0.270 0.000 1.898 25 A HA 0.201 4.521 4.320 -0.001 0.000 0.216 25 A C 2.161 179.970 177.584 0.376 0.000 1.181 25 A CA 0.959 53.169 52.037 0.287 0.000 0.620 25 A CB -0.491 18.665 19.000 0.260 0.000 0.819 25 A HN 0.350 nan 8.150 nan 0.000 0.442 26 F N -0.128 119.889 119.950 0.110 0.000 2.171 26 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 26 F C 2.387 178.249 175.800 0.102 0.000 1.090 26 F CA 1.143 59.196 58.000 0.089 0.000 1.293 26 F CB -0.156 38.882 39.000 0.064 0.000 1.013 26 F HN 0.048 nan 8.300 nan 0.000 0.486 27 V N -0.261 119.843 119.914 0.317 0.000 2.307 27 V HA -0.319 3.800 4.120 -0.001 0.000 0.245 27 V C 2.012 178.219 176.094 0.188 0.000 1.045 27 V CA 1.794 64.219 62.300 0.207 0.000 1.024 27 V CB -0.897 31.028 31.823 0.170 0.000 0.651 27 V HN 0.309 nan 8.190 nan 0.000 0.449 28 F N 0.925 120.934 119.950 0.097 0.000 2.091 28 F HA -0.307 4.220 4.527 -0.001 0.000 0.299 28 F C 2.656 178.517 175.800 0.102 0.000 1.103 28 F CA 2.467 60.509 58.000 0.071 0.000 1.228 28 F CB -0.384 38.622 39.000 0.011 0.000 0.984 28 F HN 0.122 nan 8.300 nan 0.000 0.477 29 Q N -0.477 119.448 119.800 0.208 0.000 2.077 29 Q HA -0.228 4.112 4.340 -0.001 0.000 0.206 29 Q C 1.971 177.978 176.000 0.012 0.000 0.989 29 Q CA 2.853 58.724 55.803 0.115 0.000 0.853 29 Q CB -0.291 28.490 28.738 0.072 0.000 0.907 29 Q HN 0.482 nan 8.270 nan 0.000 0.418 30 T N -0.418 114.144 114.554 0.014 0.000 2.809 30 T HA -0.061 4.288 4.350 -0.001 0.000 0.260 30 T C 1.867 176.547 174.700 -0.034 0.000 1.039 30 T CA 1.159 63.259 62.100 -0.001 0.000 1.141 30 T CB -0.227 68.657 68.868 0.028 0.000 0.869 30 T HN 0.089 nan 8.240 nan 0.000 0.437 31 V N 1.281 121.165 119.914 -0.050 0.000 2.295 31 V HA -0.135 3.985 4.120 -0.001 0.000 0.246 31 V C 2.067 178.096 176.094 -0.108 0.000 1.049 31 V CA 1.644 63.906 62.300 -0.064 0.000 1.024 31 V CB -0.748 31.044 31.823 -0.051 0.000 0.648 31 V HN 0.381 nan 8.190 nan 0.000 0.447 32 F N 1.536 121.220 119.950 -0.445 0.000 2.134 32 F HA -0.197 4.330 4.527 -0.001 0.000 0.299 32 F C 2.159 177.812 175.800 -0.245 0.000 1.097 32 F CA 2.117 59.821 58.000 -0.493 0.000 1.264 32 F CB -0.475 37.921 39.000 -1.007 0.000 1.001 32 F HN 0.280 nan 8.300 nan 0.000 0.479 33 D N -0.932 119.359 120.400 -0.182 0.000 2.117 33 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 33 D C 2.086 178.285 176.300 -0.168 0.000 0.987 33 D CA 1.943 55.831 54.000 -0.186 0.000 0.829 33 D CB -0.203 40.555 40.800 -0.070 0.000 0.961 33 D HN 0.274 nan 8.370 nan 0.000 0.460 34 T N -0.450 114.036 114.554 -0.113 0.000 2.777 34 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 34 T C 1.963 176.621 174.700 -0.069 0.000 1.040 34 T CA 1.321 63.381 62.100 -0.066 0.000 1.141 34 T CB -0.505 68.342 68.868 -0.035 0.000 0.868 34 T HN 0.245 nan 8.240 nan 0.000 0.444 35 A N 1.557 124.311 122.820 -0.110 0.000 1.908 35 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 35 A C 2.201 179.734 177.584 -0.086 0.000 1.181 35 A CA 1.216 53.200 52.037 -0.087 0.000 0.627 35 A CB -0.602 18.332 19.000 -0.110 0.000 0.818 35 A HN 0.387 nan 8.150 nan 0.000 0.445 36 I N -0.401 120.024 120.570 -0.242 0.000 2.277 36 I HA -0.120 4.049 4.170 -0.001 0.000 0.243 36 I C 2.491 178.622 176.117 0.024 0.000 1.094 36 I CA 1.809 62.992 61.300 -0.195 0.000 1.393 36 I CB -1.935 35.779 38.000 -0.475 0.000 1.078 36 I HN 0.231 nan 8.210 nan 0.000 0.417 37 T N 0.848 115.388 114.554 -0.024 0.000 2.759 37 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 37 T C 2.208 176.986 174.700 0.130 0.000 1.042 37 T CA 1.804 63.941 62.100 0.063 0.000 1.140 37 T CB -0.137 68.741 68.868 0.017 0.000 0.864 37 T HN 0.236 nan 8.240 nan 0.000 0.455 38 S N -0.052 115.705 115.700 0.094 0.000 2.348 38 S HA -0.111 4.358 4.470 -0.001 0.000 0.221 38 S C 1.563 176.239 174.600 0.127 0.000 1.033 38 S CA 1.237 59.491 58.200 0.089 0.000 1.010 38 S CB -0.498 62.743 63.200 0.068 0.000 0.891 38 S HN 0.701 nan 8.310 nan 0.000 0.442 39 W N 1.047 122.364 121.300 0.028 0.000 2.338 39 W HA -0.241 4.418 4.660 -0.001 0.000 0.304 39 W C 2.127 178.719 176.519 0.122 0.000 1.212 39 W CA 1.621 58.999 57.345 0.055 0.000 1.264 39 W CB -0.590 28.885 29.460 0.025 0.000 1.142 39 W HN 0.370 nan 8.180 nan 0.000 0.512 40 Y N 1.306 121.725 120.300 0.199 0.000 2.163 40 Y HA -0.204 4.345 4.550 -0.001 0.000 0.288 40 Y C 2.387 178.254 175.900 -0.055 0.000 1.136 40 Y CA 2.607 60.763 58.100 0.094 0.000 1.147 40 Y CB -0.731 37.829 38.460 0.167 0.000 0.987 40 Y HN 0.040 nan 8.280 nan 0.000 0.509 41 E N -0.492 119.744 120.200 0.061 0.000 2.150 41 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 41 E C 1.859 178.372 176.600 -0.144 0.000 0.985 41 E CA 1.148 57.518 56.400 -0.050 0.000 0.814 41 E CB -0.257 29.459 29.700 0.026 0.000 0.752 41 E HN 0.484 nan 8.360 nan 0.000 0.466 42 N N 0.543 119.142 118.700 -0.167 0.000 2.080 42 N HA -0.209 4.531 4.740 -0.001 0.000 0.189 42 N C 1.843 177.157 175.510 -0.326 0.000 1.036 42 N CA 1.465 54.384 53.050 -0.218 0.000 0.846 42 N CB -0.212 38.151 38.487 -0.206 0.000 1.015 42 N HN 0.142 nan 8.380 nan 0.000 0.423 43 H N -0.435 118.273 119.070 -0.602 0.000 2.426 43 H HA 0.070 4.626 4.556 -0.001 0.000 0.298 43 H C 0.485 175.557 175.328 -0.427 0.000 1.107 43 H CA 1.631 57.287 56.048 -0.653 0.000 1.298 43 H CB -0.041 29.053 29.762 -1.114 0.000 1.377 43 H HN 0.278 nan 8.280 nan 0.000 0.519 44 N N 0.598 119.081 118.700 -0.361 0.000 2.273 44 N HA -0.006 4.733 4.740 -0.001 0.000 0.231 44 N C -0.496 174.881 175.510 -0.221 0.000 1.134 44 N CA -0.089 52.783 53.050 -0.298 0.000 0.856 44 N CB 0.361 38.656 38.487 -0.321 0.000 1.068 44 N HN 0.315 nan 8.380 nan 0.000 0.510 45 K N 0.126 120.392 120.400 -0.222 0.000 2.484 45 K HA 0.049 4.369 4.320 -0.001 0.000 0.280 45 K C 1.060 177.577 176.600 -0.138 0.000 1.013 45 K CA 1.097 57.287 56.287 -0.162 0.000 1.029 45 K CB 0.298 32.703 32.500 -0.159 0.000 0.902 45 K HN 0.351 nan 8.250 nan 0.000 0.481 46 G N 3.824 112.560 108.800 -0.106 0.000 2.349 46 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.213 46 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.213 46 G C 0.881 175.742 174.900 -0.065 0.000 1.044 46 G CA 0.295 45.343 45.100 -0.087 0.000 0.633 46 G HN 0.640 nan 8.290 nan 0.000 0.506 47 K N -0.117 120.242 120.400 -0.068 0.000 2.323 47 K HA 0.402 4.722 4.320 -0.001 0.000 0.197 47 K C 0.892 177.494 176.600 0.004 0.000 1.043 47 K CA -0.129 56.137 56.287 -0.036 0.000 0.997 47 K CB 0.130 32.597 32.500 -0.055 0.000 0.807 47 K HN 0.245 nan 8.250 nan 0.000 0.497 48 L N 0.737 121.955 121.223 -0.008 0.000 2.482 48 L HA -0.101 4.238 4.340 -0.001 0.000 0.273 48 L C 1.315 178.255 176.870 0.117 0.000 1.228 48 L CA 0.548 55.418 54.840 0.049 0.000 0.827 48 L CB -0.094 41.973 42.059 0.014 0.000 1.099 48 L HN 0.314 nan 8.230 nan 0.000 0.494 49 W N 2.160 123.449 121.300 -0.018 0.000 2.363 49 W HA -0.177 4.483 4.660 0.000 0.000 0.296 49 W C 1.749 178.258 176.519 -0.015 0.000 1.212 49 W CA 1.000 58.337 57.345 -0.013 0.000 1.260 49 W CB 0.251 29.707 29.460 -0.005 0.000 1.131 49 W HN 0.646 nan 8.180 nan 0.000 0.530 50 K N 0.109 120.444 120.400 -0.109 0.000 2.059 50 K HA -0.242 4.077 4.320 -0.001 0.000 0.212 50 K C 1.363 177.804 176.600 -0.265 0.000 1.050 50 K CA 2.228 58.390 56.287 -0.209 0.000 0.927 50 K CB -0.432 32.023 32.500 -0.076 0.000 0.714 50 K HN 0.139 nan 8.250 nan 0.000 0.447 51 D N 0.051 120.341 120.400 -0.183 0.000 2.194 51 D HA -0.068 4.572 4.640 -0.001 0.000 0.204 51 D C 1.971 178.152 176.300 -0.200 0.000 0.964 51 D CA 0.677 54.581 54.000 -0.161 0.000 0.846 51 D CB -0.051 40.686 40.800 -0.104 0.000 0.962 51 D HN -0.026 nan 8.370 nan 0.000 0.490 52 V N 1.059 120.828 119.914 -0.242 0.000 2.548 52 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 52 V C 2.378 178.208 176.094 -0.439 0.000 1.055 52 V CA 1.079 63.234 62.300 -0.242 0.000 1.065 52 V CB -0.325 31.457 31.823 -0.069 0.000 0.681 52 V HN 0.109 nan 8.190 nan 0.000 0.462 53 K N 0.489 120.418 120.400 -0.786 0.000 2.283 53 K HA -0.065 4.254 4.320 -0.001 0.000 0.202 53 K C 1.987 178.362 176.600 -0.374 0.000 1.048 53 K CA 1.147 56.971 56.287 -0.773 0.000 0.948 53 K CB -0.155 31.747 32.500 -0.996 0.000 0.742 53 K HN 0.462 nan 8.250 nan 0.000 0.458 54 A N 0.977 123.621 122.820 -0.294 0.000 2.209 54 A HA -0.049 4.270 4.320 -0.001 0.000 0.212 54 A C 1.337 178.840 177.584 -0.136 0.000 1.158 54 A CA 0.670 52.599 52.037 -0.181 0.000 0.742 54 A CB -0.058 18.852 19.000 -0.151 0.000 0.790 54 A HN 0.242 nan 8.150 nan 0.000 0.472 55 R N -0.658 119.756 120.500 -0.144 0.000 2.543 55 R HA 0.344 4.683 4.340 -0.001 0.000 0.323 55 R C -0.784 175.470 176.300 -0.077 0.000 1.002 55 R CA -0.054 55.989 56.100 -0.094 0.000 1.106 55 R CB 0.597 30.849 30.300 -0.081 0.000 1.280 55 R HN 0.287 nan 8.270 nan 0.000 0.549 56 I N 0.397 120.910 120.570 -0.094 0.000 2.730 56 I HA 0.582 4.751 4.170 -0.001 0.000 0.298 56 I C -0.640 175.448 176.117 -0.047 0.000 1.089 56 I CA -1.201 60.066 61.300 -0.054 0.000 1.041 56 I CB 1.983 39.961 38.000 -0.038 0.000 1.235 56 I HN -0.091 nan 8.210 nan 0.000 0.423 57 A N 3.767 126.575 122.820 -0.020 0.000 2.513 57 A HA 0.893 5.212 4.320 -0.001 0.000 0.285 57 A C -0.903 176.682 177.584 0.001 0.000 1.047 57 A CA -0.010 52.019 52.037 -0.013 0.000 0.864 57 A CB 1.362 20.349 19.000 -0.022 0.000 1.373 57 A HN 1.279 nan 8.150 nan 0.000 0.403 58 A N 0.000 122.827 122.820 0.011 0.000 2.254 58 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 58 A CA 0.000 52.046 52.037 0.015 0.000 0.836 58 A CB 0.000 19.012 19.000 0.020 0.000 0.831 58 A HN 0.000 nan 8.150 nan 0.000 0.486