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 1p84_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 0.000 174.678 174.600 0.130 0.000 1.055 4 S CA 0.000 58.251 58.200 0.086 0.000 1.107 4 S CB 0.000 63.257 63.200 0.094 0.000 0.593 5 S N 3.423 119.181 115.700 0.097 0.000 2.507 5 S HA -0.044 4.426 4.470 -0.001 0.000 0.235 5 S C 1.691 176.352 174.600 0.102 0.000 0.988 5 S CA 0.716 58.968 58.200 0.088 0.000 0.944 5 S CB -0.246 62.980 63.200 0.044 0.000 0.762 5 S HN 0.708 nan 8.310 nan 0.000 0.526 6 L N 0.489 121.800 121.223 0.147 0.000 2.141 6 L HA 0.004 4.343 4.340 -0.001 0.000 0.209 6 L C 1.820 178.884 176.870 0.324 0.000 1.094 6 L CA 1.600 56.559 54.840 0.197 0.000 0.763 6 L CB -0.606 41.584 42.059 0.219 0.000 0.908 6 L HN 0.361 nan 8.230 nan 0.000 0.437 7 Y N 0.259 120.689 120.300 0.216 0.000 2.206 7 Y HA -0.146 4.403 4.550 -0.001 0.000 0.292 7 Y C 2.295 178.350 175.900 0.258 0.000 1.123 7 Y CA 1.635 59.917 58.100 0.303 0.000 1.142 7 Y CB -0.028 38.557 38.460 0.208 0.000 1.006 7 Y HN 0.089 nan 8.280 nan 0.000 0.518 8 K N -0.312 120.223 120.400 0.224 0.000 2.442 8 K HA -0.125 4.194 4.320 -0.001 0.000 0.198 8 K C 1.789 178.351 176.600 -0.064 0.000 1.044 8 K CA 1.518 57.858 56.287 0.090 0.000 0.948 8 K CB -0.247 32.321 32.500 0.113 0.000 0.762 8 K HN 0.541 nan 8.250 nan 0.000 0.472 9 T N -2.009 112.456 114.554 -0.149 0.000 2.978 9 T HA -0.007 4.342 4.350 -0.001 0.000 0.262 9 T C 1.637 176.025 174.700 -0.520 0.000 1.063 9 T CA 0.536 62.425 62.100 -0.351 0.000 1.140 9 T CB -0.174 68.394 68.868 -0.500 0.000 0.886 9 T HN 0.033 nan 8.240 nan 0.000 0.470 10 F N 0.252 119.936 119.950 -0.443 0.000 2.317 10 F HA 0.404 4.931 4.527 -0.001 0.000 0.290 10 F C 1.551 176.753 175.800 -0.996 0.000 1.075 10 F CA -0.008 57.509 58.000 -0.806 0.000 1.380 10 F CB -0.062 38.188 39.000 -1.249 0.000 1.093 10 F HN 0.094 nan 8.300 nan 0.000 0.524 11 F N -0.441 119.382 119.950 -0.211 0.000 2.727 11 F HA 0.272 4.798 4.527 -0.001 0.000 0.302 11 F C 0.173 175.870 175.800 -0.171 0.000 1.107 11 F CA -0.756 57.067 58.000 -0.294 0.000 1.277 11 F CB -0.515 38.114 39.000 -0.618 0.000 1.079 11 F HN -0.350 nan 8.300 nan 0.000 0.594 12 K N 2.071 122.458 120.400 -0.022 0.000 5.617 12 K HA -0.283 4.037 4.320 -0.001 0.000 0.401 12 K C 0.792 177.465 176.600 0.121 0.000 0.978 12 K CA 0.740 57.056 56.287 0.049 0.000 1.200 12 K CB -1.042 31.472 32.500 0.023 0.000 1.863 12 K HN 0.622 nan 8.250 nan 0.000 0.382 13 R N -0.972 119.643 120.500 0.192 0.000 4.004 13 R HA -0.367 3.972 4.340 -0.001 0.000 0.338 13 R C -0.921 175.480 176.300 0.168 0.000 1.238 13 R CA 2.202 58.415 56.100 0.189 0.000 1.029 13 R CB -1.775 28.593 30.300 0.114 0.000 1.451 13 R HN 0.695 nan 8.270 nan 0.000 0.566 14 N N -0.630 118.174 118.700 0.173 0.000 2.404 14 N HA 0.634 5.373 4.740 -0.001 0.000 0.297 14 N C -0.400 175.116 175.510 0.010 0.000 1.163 14 N CA -0.392 52.710 53.050 0.087 0.000 0.864 14 N CB 1.627 40.178 38.487 0.107 0.000 1.247 14 N HN 0.343 nan 8.380 nan 0.000 0.510 15 A N 0.675 123.405 122.820 -0.149 0.000 2.296 15 A HA 0.349 4.668 4.320 -0.001 0.000 0.264 15 A C -0.067 177.129 177.584 -0.647 0.000 1.097 15 A CA -0.359 51.524 52.037 -0.258 0.000 0.811 15 A CB 0.257 19.134 19.000 -0.206 0.000 1.072 15 A HN 0.401 nan 8.150 nan 0.000 0.495 16 V N 0.740 120.289 119.914 -0.609 0.000 2.530 16 V HA 0.231 4.351 4.120 -0.001 0.000 0.282 16 V C -0.232 175.534 176.094 -0.547 0.000 1.048 16 V CA 0.161 62.031 62.300 -0.717 0.000 0.997 16 V CB -0.191 31.232 31.823 -0.666 0.000 0.987 16 V HN 0.573 nan 8.190 nan 0.000 0.477 17 F N 2.533 122.433 119.950 -0.083 0.000 2.371 17 F HA 0.296 4.823 4.527 -0.001 0.000 0.329 17 F C 1.566 177.267 175.800 -0.165 0.000 1.107 17 F CA -0.708 57.235 58.000 -0.095 0.000 1.137 17 F CB 0.819 39.790 39.000 -0.048 0.000 1.214 17 F HN 0.360 nan 8.300 nan 0.000 0.536 18 V N 0.859 120.746 119.914 -0.044 0.000 2.277 18 V HA -0.314 3.805 4.120 -0.001 0.000 0.253 18 V C 2.265 178.100 176.094 -0.431 0.000 1.067 18 V CA 2.219 64.290 62.300 -0.382 0.000 1.047 18 V CB -1.907 29.621 31.823 -0.492 0.000 0.649 18 V HN 1.080 nan 8.190 nan 0.000 0.447 19 G N -0.110 108.593 108.800 -0.161 0.000 2.476 19 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 19 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 19 G C 1.608 176.525 174.900 0.027 0.000 1.164 19 G CA 1.692 46.769 45.100 -0.038 0.000 0.768 19 G HN 0.515 nan 8.290 nan 0.000 0.560 20 T N 1.380 115.971 114.554 0.061 0.000 2.915 20 T HA 0.008 4.358 4.350 -0.001 0.000 0.269 20 T C 2.316 177.053 174.700 0.061 0.000 1.071 20 T CA 0.542 62.697 62.100 0.092 0.000 1.132 20 T CB 0.013 68.975 68.868 0.157 0.000 0.878 20 T HN 0.094 nan 8.240 nan 0.000 0.479 21 I N 0.666 121.229 120.570 -0.012 0.000 2.193 21 I HA -0.039 4.130 4.170 -0.001 0.000 0.240 21 I C 2.128 178.358 176.117 0.190 0.000 1.084 21 I CA 1.246 62.546 61.300 0.000 0.000 1.365 21 I CB -1.186 36.742 38.000 -0.120 0.000 1.064 21 I HN 0.168 nan 8.210 nan 0.000 0.410 22 F N 1.644 121.640 119.950 0.076 0.000 2.095 22 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 22 F C 2.727 178.609 175.800 0.137 0.000 1.104 22 F CA 1.012 59.094 58.000 0.137 0.000 1.232 22 F CB -1.584 37.461 39.000 0.074 0.000 0.987 22 F HN 0.056 nan 8.300 nan 0.000 0.475 23 A N 0.239 123.185 122.820 0.211 0.000 1.883 23 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 23 A C 2.636 180.332 177.584 0.188 0.000 1.186 23 A CA 1.934 54.022 52.037 0.085 0.000 0.624 23 A CB -1.546 17.485 19.000 0.051 0.000 0.822 23 A HN 0.398 nan 8.150 nan 0.000 0.444 24 G N -0.714 108.197 108.800 0.185 0.000 2.422 24 G HA2 0.033 3.992 3.960 -0.001 0.000 0.218 24 G HA3 0.033 3.992 3.960 -0.001 0.000 0.218 24 G C 1.705 176.754 174.900 0.248 0.000 1.146 24 G CA 1.385 46.593 45.100 0.181 0.000 0.769 24 G HN 0.804 nan 8.290 nan 0.000 0.547 25 A N 0.503 123.496 122.820 0.288 0.000 1.902 25 A HA 0.105 4.424 4.320 -0.001 0.000 0.217 25 A C 2.182 179.962 177.584 0.326 0.000 1.181 25 A CA 1.228 53.428 52.037 0.272 0.000 0.623 25 A CB -0.557 18.602 19.000 0.266 0.000 0.818 25 A HN 0.361 nan 8.150 nan 0.000 0.443 26 F N -0.481 119.542 119.950 0.122 0.000 2.186 26 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 26 F C 2.376 178.242 175.800 0.111 0.000 1.090 26 F CA 1.063 59.121 58.000 0.098 0.000 1.307 26 F CB -0.146 38.897 39.000 0.070 0.000 1.019 26 F HN 0.042 nan 8.300 nan 0.000 0.489 27 V N -0.265 119.840 119.914 0.318 0.000 2.307 27 V HA -0.307 3.813 4.120 -0.001 0.000 0.245 27 V C 2.042 178.252 176.094 0.192 0.000 1.045 27 V CA 1.762 64.189 62.300 0.211 0.000 1.024 27 V CB -0.787 31.141 31.823 0.176 0.000 0.651 27 V HN 0.318 nan 8.190 nan 0.000 0.449 28 F N 0.943 120.949 119.950 0.094 0.000 2.091 28 F HA -0.323 4.204 4.527 -0.001 0.000 0.299 28 F C 2.655 178.508 175.800 0.088 0.000 1.103 28 F CA 2.482 60.522 58.000 0.067 0.000 1.228 28 F CB -0.342 38.663 39.000 0.008 0.000 0.984 28 F HN 0.134 nan 8.300 nan 0.000 0.477 29 Q N -0.480 119.468 119.800 0.247 0.000 2.152 29 Q HA -0.218 4.121 4.340 -0.001 0.000 0.206 29 Q C 1.867 177.891 176.000 0.039 0.000 0.985 29 Q CA 2.602 58.489 55.803 0.139 0.000 0.863 29 Q CB -0.234 28.545 28.738 0.069 0.000 0.904 29 Q HN 0.487 nan 8.270 nan 0.000 0.422 30 T N -0.585 113.987 114.554 0.029 0.000 2.852 30 T HA -0.039 4.311 4.350 -0.001 0.000 0.256 30 T C 1.845 176.530 174.700 -0.024 0.000 1.038 30 T CA 1.085 63.192 62.100 0.012 0.000 1.141 30 T CB -0.186 68.704 68.868 0.038 0.000 0.869 30 T HN 0.095 nan 8.240 nan 0.000 0.439 31 V N 1.431 121.319 119.914 -0.044 0.000 2.287 31 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 31 V C 2.064 178.092 176.094 -0.110 0.000 1.053 31 V CA 1.672 63.932 62.300 -0.065 0.000 1.027 31 V CB -0.789 30.999 31.823 -0.058 0.000 0.646 31 V HN 0.384 nan 8.190 nan 0.000 0.447 32 F N 1.682 121.376 119.950 -0.427 0.000 2.102 32 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 32 F C 2.200 177.862 175.800 -0.230 0.000 1.105 32 F CA 2.175 59.895 58.000 -0.466 0.000 1.239 32 F CB -0.464 37.982 39.000 -0.924 0.000 0.991 32 F HN 0.263 nan 8.300 nan 0.000 0.474 33 D N -0.856 119.451 120.400 -0.156 0.000 2.144 33 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 33 D C 2.074 178.279 176.300 -0.159 0.000 0.984 33 D CA 1.802 55.701 54.000 -0.169 0.000 0.834 33 D CB -0.246 40.526 40.800 -0.047 0.000 0.955 33 D HN 0.290 nan 8.370 nan 0.000 0.465 34 T N -0.573 113.914 114.554 -0.112 0.000 2.812 34 T HA 0.003 4.353 4.350 -0.001 0.000 0.264 34 T C 1.921 176.576 174.700 -0.075 0.000 1.042 34 T CA 1.328 63.388 62.100 -0.066 0.000 1.140 34 T CB -0.440 68.407 68.868 -0.035 0.000 0.870 34 T HN 0.241 nan 8.240 nan 0.000 0.445 35 A N 1.640 124.386 122.820 -0.124 0.000 1.908 35 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 35 A C 2.186 179.707 177.584 -0.104 0.000 1.181 35 A CA 1.235 53.209 52.037 -0.104 0.000 0.627 35 A CB -0.626 18.291 19.000 -0.138 0.000 0.818 35 A HN 0.390 nan 8.150 nan 0.000 0.445 36 I N -0.254 120.155 120.570 -0.269 0.000 2.193 36 I HA -0.139 4.030 4.170 -0.001 0.000 0.240 36 I C 2.516 178.644 176.117 0.020 0.000 1.084 36 I CA 1.932 63.103 61.300 -0.214 0.000 1.365 36 I CB -2.002 35.708 38.000 -0.483 0.000 1.064 36 I HN 0.236 nan 8.210 nan 0.000 0.410 37 T N 0.884 115.424 114.554 -0.024 0.000 2.759 37 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 37 T C 2.206 176.990 174.700 0.140 0.000 1.042 37 T CA 1.736 63.878 62.100 0.070 0.000 1.140 37 T CB -0.136 68.746 68.868 0.023 0.000 0.864 37 T HN 0.248 nan 8.240 nan 0.000 0.455 38 S N 0.016 115.776 115.700 0.101 0.000 2.344 38 S HA -0.112 4.358 4.470 -0.001 0.000 0.217 38 S C 1.550 176.235 174.600 0.142 0.000 1.033 38 S CA 1.299 59.557 58.200 0.097 0.000 1.017 38 S CB -0.603 62.641 63.200 0.073 0.000 0.941 38 S HN 0.722 nan 8.310 nan 0.000 0.430 39 W N 1.122 122.435 121.300 0.023 0.000 2.321 39 W HA -0.286 4.373 4.660 -0.001 0.000 0.306 39 W C 2.130 178.711 176.519 0.104 0.000 1.217 39 W CA 1.816 59.188 57.345 0.046 0.000 1.257 39 W CB -0.598 28.872 29.460 0.015 0.000 1.145 39 W HN 0.387 nan 8.180 nan 0.000 0.509 40 Y N 1.359 121.830 120.300 0.285 0.000 2.114 40 Y HA -0.245 4.304 4.550 -0.001 0.000 0.284 40 Y C 2.412 178.285 175.900 -0.045 0.000 1.143 40 Y CA 2.669 60.858 58.100 0.148 0.000 1.135 40 Y CB -0.842 37.740 38.460 0.203 0.000 0.980 40 Y HN 0.068 nan 8.280 nan 0.000 0.499 41 E N -0.557 119.665 120.200 0.037 0.000 2.153 41 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 41 E C 1.908 178.415 176.600 -0.155 0.000 0.988 41 E CA 1.186 57.544 56.400 -0.069 0.000 0.811 41 E CB -0.274 29.437 29.700 0.018 0.000 0.746 41 E HN 0.500 nan 8.360 nan 0.000 0.466 42 N N 0.141 118.735 118.700 -0.177 0.000 2.188 42 N HA -0.191 4.548 4.740 -0.001 0.000 0.184 42 N C 1.817 177.137 175.510 -0.316 0.000 1.018 42 N CA 1.165 54.084 53.050 -0.219 0.000 0.858 42 N CB -0.066 38.297 38.487 -0.207 0.000 0.989 42 N HN 0.150 nan 8.380 nan 0.000 0.426 43 H N -0.363 118.355 119.070 -0.588 0.000 2.421 43 H HA 0.143 4.698 4.556 -0.001 0.000 0.298 43 H C 0.505 175.589 175.328 -0.407 0.000 1.087 43 H CA 1.491 57.163 56.048 -0.626 0.000 1.330 43 H CB 0.039 29.188 29.762 -1.022 0.000 1.388 43 H HN 0.265 nan 8.280 nan 0.000 0.526 44 N N 0.762 119.270 118.700 -0.321 0.000 2.320 44 N HA -0.015 4.725 4.740 -0.001 0.000 0.237 44 N C -0.453 174.935 175.510 -0.202 0.000 1.129 44 N CA -0.082 52.808 53.050 -0.266 0.000 0.854 44 N CB 0.402 38.719 38.487 -0.283 0.000 1.083 44 N HN 0.313 nan 8.380 nan 0.000 0.504 45 K N 0.280 120.556 120.400 -0.205 0.000 2.484 45 K HA 0.046 4.366 4.320 -0.001 0.000 0.280 45 K C 1.044 177.567 176.600 -0.128 0.000 1.013 45 K CA 1.055 57.252 56.287 -0.150 0.000 1.029 45 K CB 0.237 32.649 32.500 -0.147 0.000 0.902 45 K HN 0.343 nan 8.250 nan 0.000 0.481 46 G N 3.818 112.559 108.800 -0.098 0.000 2.254 46 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.225 46 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.225 46 G C 0.819 175.682 174.900 -0.062 0.000 1.003 46 G CA 0.354 45.405 45.100 -0.082 0.000 0.622 46 G HN 0.665 nan 8.290 nan 0.000 0.507 47 K N -0.412 119.950 120.400 -0.063 0.000 2.308 47 K HA 0.396 4.716 4.320 -0.001 0.000 0.197 47 K C 0.902 177.506 176.600 0.007 0.000 1.049 47 K CA -0.137 56.130 56.287 -0.032 0.000 0.991 47 K CB 0.194 32.664 32.500 -0.050 0.000 0.836 47 K HN 0.241 nan 8.250 nan 0.000 0.500 48 L N 0.572 121.795 121.223 0.000 0.000 2.476 48 L HA -0.068 4.271 4.340 -0.001 0.000 0.264 48 L C 1.361 178.306 176.870 0.124 0.000 1.224 48 L CA 0.517 55.393 54.840 0.060 0.000 0.821 48 L CB -0.148 41.930 42.059 0.032 0.000 1.101 48 L HN 0.280 nan 8.230 nan 0.000 0.488 49 W N 1.550 122.840 121.300 -0.015 0.000 2.388 49 W HA -0.158 4.503 4.660 0.000 0.000 0.294 49 W C 1.711 178.222 176.519 -0.013 0.000 1.212 49 W CA 0.988 58.326 57.345 -0.011 0.000 1.271 49 W CB 0.268 29.726 29.460 -0.003 0.000 1.126 49 W HN 0.630 nan 8.180 nan 0.000 0.535 50 K N 0.286 120.645 120.400 -0.068 0.000 2.020 50 K HA -0.230 4.089 4.320 -0.001 0.000 0.212 50 K C 1.441 177.894 176.600 -0.244 0.000 1.050 50 K CA 2.154 58.329 56.287 -0.186 0.000 0.929 50 K CB -0.592 31.873 32.500 -0.059 0.000 0.714 50 K HN 0.055 nan 8.250 nan 0.000 0.443 51 D N 0.594 120.902 120.400 -0.154 0.000 2.144 51 D HA -0.114 4.526 4.640 -0.001 0.000 0.199 51 D C 2.030 178.218 176.300 -0.186 0.000 0.984 51 D CA 0.944 54.858 54.000 -0.143 0.000 0.834 51 D CB -0.238 40.507 40.800 -0.092 0.000 0.955 51 D HN -0.014 nan 8.370 nan 0.000 0.465 52 V N 0.957 120.739 119.914 -0.221 0.000 2.453 52 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 52 V C 2.438 178.263 176.094 -0.449 0.000 1.048 52 V CA 1.157 63.312 62.300 -0.240 0.000 1.049 52 V CB -0.366 31.409 31.823 -0.080 0.000 0.672 52 V HN 0.134 nan 8.190 nan 0.000 0.457 53 K N 0.455 120.384 120.400 -0.784 0.000 2.147 53 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 53 K C 2.140 178.504 176.600 -0.393 0.000 1.049 53 K CA 1.442 57.242 56.287 -0.811 0.000 0.936 53 K CB -0.228 31.677 32.500 -0.992 0.000 0.722 53 K HN 0.444 nan 8.250 nan 0.000 0.446 54 A N 1.522 124.164 122.820 -0.297 0.000 1.898 54 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 54 A C 1.780 179.278 177.584 -0.143 0.000 1.181 54 A CA 0.996 52.923 52.037 -0.183 0.000 0.620 54 A CB -0.301 18.611 19.000 -0.147 0.000 0.819 54 A HN 0.273 nan 8.150 nan 0.000 0.442 55 R N -0.672 119.740 120.500 -0.147 0.000 2.323 55 R HA 0.129 4.469 4.340 -0.001 0.000 0.198 55 R C -0.405 175.840 176.300 -0.092 0.000 0.988 55 R CA 0.268 56.306 56.100 -0.102 0.000 1.041 55 R CB -0.182 30.065 30.300 -0.089 0.000 0.926 55 R HN 0.340 nan 8.270 nan 0.000 0.476 56 I N 0.360 120.858 120.570 -0.120 0.000 2.562 56 I HA 0.398 4.567 4.170 -0.001 0.000 0.301 56 I C -0.168 175.906 176.117 -0.072 0.000 1.003 56 I CA -1.373 59.874 61.300 -0.087 0.000 1.127 56 I CB 1.768 39.705 38.000 -0.105 0.000 1.304 56 I HN -0.145 nan 8.210 nan 0.000 0.446 57 A N 4.515 127.311 122.820 -0.040 0.000 2.569 57 A HA 0.877 5.196 4.320 -0.001 0.000 0.282 57 A C -0.603 176.973 177.584 -0.012 0.000 1.165 57 A CA -0.257 51.762 52.037 -0.030 0.000 0.747 57 A CB 1.106 20.089 19.000 -0.029 0.000 1.215 57 A HN 0.929 nan 8.150 nan 0.000 0.431 58 A N 0.000 122.817 122.820 -0.005 0.000 2.254 58 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 58 A CA 0.000 52.041 52.037 0.007 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