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 1kb9_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 0.000 174.663 174.600 0.105 0.000 1.055 4 S CA 0.000 58.242 58.200 0.070 0.000 1.107 4 S CB 0.000 63.251 63.200 0.084 0.000 0.593 5 S N 3.525 119.272 115.700 0.078 0.000 2.522 5 S HA -0.013 4.456 4.470 -0.001 0.000 0.227 5 S C 1.691 176.333 174.600 0.070 0.000 0.986 5 S CA 0.512 58.752 58.200 0.066 0.000 0.929 5 S CB -0.217 62.998 63.200 0.026 0.000 0.769 5 S HN 0.701 nan 8.310 nan 0.000 0.529 6 L N 0.635 121.925 121.223 0.111 0.000 2.141 6 L HA -0.018 4.321 4.340 -0.001 0.000 0.209 6 L C 1.839 178.850 176.870 0.235 0.000 1.094 6 L CA 1.659 56.583 54.840 0.140 0.000 0.763 6 L CB -0.635 41.535 42.059 0.186 0.000 0.908 6 L HN 0.354 nan 8.230 nan 0.000 0.437 7 Y N 0.341 120.739 120.300 0.164 0.000 2.184 7 Y HA -0.159 4.390 4.550 -0.001 0.000 0.290 7 Y C 2.272 178.278 175.900 0.177 0.000 1.129 7 Y CA 1.693 59.942 58.100 0.248 0.000 1.144 7 Y CB -0.037 38.541 38.460 0.197 0.000 0.995 7 Y HN 0.113 nan 8.280 nan 0.000 0.513 8 K N -0.329 120.199 120.400 0.214 0.000 2.519 8 K HA -0.108 4.212 4.320 -0.001 0.000 0.196 8 K C 1.812 178.361 176.600 -0.086 0.000 1.041 8 K CA 1.401 57.740 56.287 0.086 0.000 0.954 8 K CB -0.209 32.353 32.500 0.102 0.000 0.774 8 K HN 0.536 nan 8.250 nan 0.000 0.480 9 T N -2.000 112.428 114.554 -0.210 0.000 2.976 9 T HA -0.006 4.343 4.350 -0.001 0.000 0.257 9 T C 1.653 176.012 174.700 -0.567 0.000 1.051 9 T CA 0.500 62.350 62.100 -0.417 0.000 1.141 9 T CB -0.180 68.319 68.868 -0.614 0.000 0.881 9 T HN 0.007 nan 8.240 nan 0.000 0.461 10 F N 0.588 120.263 119.950 -0.459 0.000 2.220 10 F HA 0.388 4.915 4.527 -0.001 0.000 0.290 10 F C 1.660 176.917 175.800 -0.904 0.000 1.080 10 F CA 0.071 57.594 58.000 -0.796 0.000 1.318 10 F CB -0.256 37.971 39.000 -1.289 0.000 1.063 10 F HN 0.094 nan 8.300 nan 0.000 0.498 11 F N -0.305 119.520 119.950 -0.209 0.000 2.720 11 F HA 0.262 4.788 4.527 -0.001 0.000 0.301 11 F C 0.249 175.955 175.800 -0.158 0.000 1.103 11 F CA -0.766 57.054 58.000 -0.301 0.000 1.291 11 F CB -0.759 37.845 39.000 -0.660 0.000 1.086 11 F HN -0.301 nan 8.300 nan 0.000 0.592 12 K N 1.994 122.391 120.400 -0.005 0.000 5.230 12 K HA -0.298 4.022 4.320 -0.001 0.000 0.331 12 K C 0.914 177.602 176.600 0.145 0.000 0.863 12 K CA 0.730 57.056 56.287 0.066 0.000 1.030 12 K CB -1.053 31.467 32.500 0.034 0.000 1.845 12 K HN 0.633 nan 8.250 nan 0.000 0.404 13 R N -1.335 119.303 120.500 0.231 0.000 4.027 13 R HA -0.371 3.968 4.340 -0.001 0.000 0.410 13 R C -0.710 175.710 176.300 0.200 0.000 1.103 13 R CA 2.268 58.497 56.100 0.215 0.000 1.481 13 R CB -1.535 28.838 30.300 0.121 0.000 2.065 13 R HN 0.674 nan 8.270 nan 0.000 0.559 14 N N 0.235 119.053 118.700 0.196 0.000 2.492 14 N HA 0.561 5.301 4.740 -0.001 0.000 0.289 14 N C -0.208 175.313 175.510 0.019 0.000 1.133 14 N CA -0.231 52.886 53.050 0.112 0.000 0.961 14 N CB 1.297 39.874 38.487 0.150 0.000 1.186 14 N HN 0.400 nan 8.380 nan 0.000 0.493 15 A N 1.004 123.752 122.820 -0.120 0.000 2.366 15 A HA 0.236 4.556 4.320 -0.001 0.000 0.249 15 A C 0.091 177.265 177.584 -0.683 0.000 1.084 15 A CA -0.391 51.502 52.037 -0.240 0.000 0.794 15 A CB 0.280 19.179 19.000 -0.168 0.000 1.034 15 A HN 0.432 nan 8.150 nan 0.000 0.491 16 V N 1.524 121.050 119.914 -0.647 0.000 2.572 16 V HA 0.160 4.279 4.120 -0.001 0.000 0.291 16 V C -0.123 175.609 176.094 -0.603 0.000 1.039 16 V CA 0.354 62.153 62.300 -0.835 0.000 1.055 16 V CB -0.449 30.899 31.823 -0.792 0.000 0.969 16 V HN 0.570 nan 8.190 nan 0.000 0.482 17 F N 3.020 122.888 119.950 -0.136 0.000 2.375 17 F HA 0.289 4.815 4.527 -0.001 0.000 0.333 17 F C 1.546 177.230 175.800 -0.192 0.000 1.104 17 F CA -0.703 57.220 58.000 -0.128 0.000 1.149 17 F CB 0.873 39.827 39.000 -0.077 0.000 1.190 17 F HN 0.406 nan 8.300 nan 0.000 0.533 18 V N 0.657 120.527 119.914 -0.074 0.000 2.277 18 V HA -0.316 3.803 4.120 -0.001 0.000 0.253 18 V C 2.188 177.995 176.094 -0.479 0.000 1.067 18 V CA 2.205 64.260 62.300 -0.408 0.000 1.047 18 V CB -1.935 29.561 31.823 -0.544 0.000 0.649 18 V HN 1.057 nan 8.190 nan 0.000 0.447 19 G N -0.074 108.596 108.800 -0.217 0.000 2.446 19 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 19 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 19 G C 1.588 176.480 174.900 -0.014 0.000 1.168 19 G CA 1.706 46.751 45.100 -0.093 0.000 0.771 19 G HN 0.534 nan 8.290 nan 0.000 0.551 20 T N 1.457 116.023 114.554 0.021 0.000 2.821 20 T HA -0.004 4.345 4.350 -0.001 0.000 0.267 20 T C 2.345 177.061 174.700 0.028 0.000 1.046 20 T CA 0.622 62.753 62.100 0.052 0.000 1.139 20 T CB -0.009 68.917 68.868 0.098 0.000 0.871 20 T HN 0.087 nan 8.240 nan 0.000 0.454 21 I N 0.770 121.320 120.570 -0.034 0.000 2.202 21 I HA -0.073 4.097 4.170 -0.001 0.000 0.242 21 I C 2.164 178.397 176.117 0.193 0.000 1.091 21 I CA 1.342 62.642 61.300 0.000 0.000 1.368 21 I CB -1.136 36.811 38.000 -0.089 0.000 1.058 21 I HN 0.170 nan 8.210 nan 0.000 0.410 22 F N 1.499 121.463 119.950 0.024 0.000 2.134 22 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 22 F C 2.716 178.521 175.800 0.009 0.000 1.097 22 F CA 0.963 58.994 58.000 0.052 0.000 1.264 22 F CB -1.570 37.426 39.000 -0.007 0.000 1.001 22 F HN 0.052 nan 8.300 nan 0.000 0.479 23 A N 0.244 123.141 122.820 0.127 0.000 1.877 23 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 23 A C 2.619 180.277 177.584 0.123 0.000 1.186 23 A CA 1.898 53.940 52.037 0.008 0.000 0.620 23 A CB -1.533 17.470 19.000 0.006 0.000 0.822 23 A HN 0.391 nan 8.150 nan 0.000 0.443 24 G N -0.797 108.086 108.800 0.139 0.000 2.422 24 G HA2 0.058 4.017 3.960 -0.001 0.000 0.218 24 G HA3 0.058 4.017 3.960 -0.001 0.000 0.218 24 G C 1.658 176.691 174.900 0.222 0.000 1.140 24 G CA 1.322 46.511 45.100 0.149 0.000 0.775 24 G HN 0.784 nan 8.290 nan 0.000 0.545 25 A N 0.496 123.476 122.820 0.266 0.000 1.898 25 A HA 0.158 4.477 4.320 -0.001 0.000 0.216 25 A C 2.167 179.978 177.584 0.379 0.000 1.181 25 A CA 1.045 53.254 52.037 0.288 0.000 0.620 25 A CB -0.523 18.643 19.000 0.277 0.000 0.819 25 A HN 0.359 nan 8.150 nan 0.000 0.442 26 F N -0.257 119.760 119.950 0.111 0.000 2.171 26 F HA -0.165 4.361 4.527 -0.001 0.000 0.300 26 F C 2.381 178.243 175.800 0.103 0.000 1.090 26 F CA 1.033 59.086 58.000 0.089 0.000 1.293 26 F CB -0.132 38.905 39.000 0.063 0.000 1.013 26 F HN 0.045 nan 8.300 nan 0.000 0.486 27 V N -0.165 119.939 119.914 0.317 0.000 2.270 27 V HA -0.318 3.801 4.120 -0.001 0.000 0.245 27 V C 2.019 178.230 176.094 0.195 0.000 1.043 27 V CA 1.814 64.240 62.300 0.210 0.000 1.014 27 V CB -0.885 31.041 31.823 0.172 0.000 0.645 27 V HN 0.318 nan 8.190 nan 0.000 0.447 28 F N 0.935 120.942 119.950 0.094 0.000 2.065 28 F HA -0.313 4.213 4.527 -0.001 0.000 0.298 28 F C 2.658 178.518 175.800 0.099 0.000 1.112 28 F CA 2.494 60.536 58.000 0.069 0.000 1.212 28 F CB -0.410 38.596 39.000 0.010 0.000 0.975 28 F HN 0.125 nan 8.300 nan 0.000 0.476 29 Q N -0.410 119.517 119.800 0.212 0.000 2.096 29 Q HA -0.238 4.101 4.340 -0.001 0.000 0.208 29 Q C 2.022 178.023 176.000 0.001 0.000 0.993 29 Q CA 2.900 58.763 55.803 0.100 0.000 0.862 29 Q CB -0.356 28.425 28.738 0.071 0.000 0.915 29 Q HN 0.486 nan 8.270 nan 0.000 0.416 30 T N -0.236 114.325 114.554 0.011 0.000 2.701 30 T HA -0.094 4.255 4.350 -0.001 0.000 0.263 30 T C 1.861 176.541 174.700 -0.034 0.000 1.040 30 T CA 1.338 63.436 62.100 -0.003 0.000 1.147 30 T CB -0.274 68.611 68.868 0.028 0.000 0.865 30 T HN 0.109 nan 8.240 nan 0.000 0.426 31 V N 1.251 121.138 119.914 -0.045 0.000 2.255 31 V HA -0.145 3.974 4.120 -0.001 0.000 0.247 31 V C 2.059 178.092 176.094 -0.102 0.000 1.051 31 V CA 1.725 63.990 62.300 -0.058 0.000 1.018 31 V CB -0.788 31.011 31.823 -0.039 0.000 0.641 31 V HN 0.376 nan 8.190 nan 0.000 0.445 32 F N 1.563 121.250 119.950 -0.438 0.000 2.126 32 F HA -0.238 4.289 4.527 -0.001 0.000 0.299 32 F C 2.180 177.828 175.800 -0.254 0.000 1.096 32 F CA 2.211 59.914 58.000 -0.494 0.000 1.255 32 F CB -0.530 37.858 39.000 -1.020 0.000 0.997 32 F HN 0.290 nan 8.300 nan 0.000 0.479 33 D N -1.001 119.282 120.400 -0.195 0.000 2.117 33 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 33 D C 2.114 178.309 176.300 -0.174 0.000 0.987 33 D CA 1.985 55.866 54.000 -0.198 0.000 0.829 33 D CB -0.244 40.508 40.800 -0.080 0.000 0.961 33 D HN 0.279 nan 8.370 nan 0.000 0.460 34 T N -0.401 114.084 114.554 -0.115 0.000 2.777 34 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 34 T C 1.953 176.610 174.700 -0.071 0.000 1.040 34 T CA 1.426 63.486 62.100 -0.067 0.000 1.141 34 T CB -0.541 68.306 68.868 -0.035 0.000 0.868 34 T HN 0.255 nan 8.240 nan 0.000 0.444 35 A N 1.634 124.386 122.820 -0.112 0.000 1.908 35 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 35 A C 2.223 179.753 177.584 -0.090 0.000 1.181 35 A CA 1.236 53.220 52.037 -0.089 0.000 0.627 35 A CB -0.643 18.291 19.000 -0.111 0.000 0.818 35 A HN 0.391 nan 8.150 nan 0.000 0.445 36 I N -0.182 120.234 120.570 -0.256 0.000 2.233 36 I HA -0.143 4.027 4.170 -0.001 0.000 0.243 36 I C 2.516 178.647 176.117 0.022 0.000 1.093 36 I CA 1.921 63.097 61.300 -0.207 0.000 1.380 36 I CB -1.982 35.728 38.000 -0.483 0.000 1.067 36 I HN 0.243 nan 8.210 nan 0.000 0.413 37 T N 0.835 115.375 114.554 -0.024 0.000 2.720 37 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 37 T C 2.206 176.987 174.700 0.136 0.000 1.037 37 T CA 1.789 63.929 62.100 0.066 0.000 1.144 37 T CB -0.154 68.724 68.868 0.017 0.000 0.864 37 T HN 0.252 nan 8.240 nan 0.000 0.444 38 S N 0.041 115.799 115.700 0.097 0.000 2.348 38 S HA -0.122 4.348 4.470 -0.001 0.000 0.221 38 S C 1.570 176.253 174.600 0.138 0.000 1.033 38 S CA 1.303 59.560 58.200 0.094 0.000 1.010 38 S CB -0.511 62.731 63.200 0.071 0.000 0.891 38 S HN 0.702 nan 8.310 nan 0.000 0.442 39 W N 1.059 122.375 121.300 0.027 0.000 2.335 39 W HA -0.234 4.425 4.660 -0.001 0.000 0.311 39 W C 2.132 178.719 176.519 0.113 0.000 1.213 39 W CA 1.567 58.943 57.345 0.052 0.000 1.274 39 W CB -0.621 28.852 29.460 0.023 0.000 1.148 39 W HN 0.345 nan 8.180 nan 0.000 0.498 40 Y N 1.502 121.963 120.300 0.269 0.000 2.097 40 Y HA -0.267 4.282 4.550 -0.002 0.000 0.282 40 Y C 2.387 178.264 175.900 -0.039 0.000 1.152 40 Y CA 2.695 60.875 58.100 0.133 0.000 1.136 40 Y CB -0.774 37.793 38.460 0.178 0.000 0.975 40 Y HN 0.074 nan 8.280 nan 0.000 0.498 41 E N -0.631 119.602 120.200 0.055 0.000 2.153 41 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 41 E C 1.891 178.403 176.600 -0.146 0.000 0.988 41 E CA 1.178 57.545 56.400 -0.055 0.000 0.811 41 E CB -0.287 29.427 29.700 0.023 0.000 0.746 41 E HN 0.494 nan 8.360 nan 0.000 0.466 42 N N 0.457 119.056 118.700 -0.168 0.000 2.171 42 N HA -0.195 4.544 4.740 -0.001 0.000 0.184 42 N C 1.833 177.148 175.510 -0.325 0.000 1.021 42 N CA 1.278 54.198 53.050 -0.217 0.000 0.854 42 N CB -0.139 38.227 38.487 -0.201 0.000 0.994 42 N HN 0.151 nan 8.380 nan 0.000 0.426 43 H N -0.471 118.238 119.070 -0.602 0.000 2.457 43 H HA 0.123 4.679 4.556 -0.001 0.000 0.297 43 H C 0.453 175.523 175.328 -0.430 0.000 1.092 43 H CA 1.495 57.145 56.048 -0.663 0.000 1.309 43 H CB 0.007 29.093 29.762 -1.125 0.000 1.382 43 H HN 0.267 nan 8.280 nan 0.000 0.535 44 N N 0.691 119.186 118.700 -0.342 0.000 2.321 44 N HA -0.011 4.729 4.740 -0.001 0.000 0.242 44 N C -0.498 174.884 175.510 -0.213 0.000 1.141 44 N CA -0.097 52.784 53.050 -0.281 0.000 0.864 44 N CB 0.397 38.701 38.487 -0.305 0.000 1.100 44 N HN 0.317 nan 8.380 nan 0.000 0.510 45 K N 0.223 120.493 120.400 -0.217 0.000 2.484 45 K HA 0.044 4.363 4.320 -0.001 0.000 0.280 45 K C 1.067 177.586 176.600 -0.135 0.000 1.013 45 K CA 1.118 57.310 56.287 -0.158 0.000 1.029 45 K CB 0.258 32.664 32.500 -0.157 0.000 0.902 45 K HN 0.344 nan 8.250 nan 0.000 0.481 46 G N 3.899 112.636 108.800 -0.104 0.000 2.308 46 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.221 46 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.221 46 G C 0.849 175.710 174.900 -0.065 0.000 1.032 46 G CA 0.355 45.404 45.100 -0.086 0.000 0.623 46 G HN 0.660 nan 8.290 nan 0.000 0.506 47 K N -0.182 120.178 120.400 -0.067 0.000 2.284 47 K HA 0.384 4.703 4.320 -0.001 0.000 0.198 47 K C 0.903 177.505 176.600 0.004 0.000 1.048 47 K CA -0.062 56.204 56.287 -0.034 0.000 0.987 47 K CB 0.124 32.593 32.500 -0.051 0.000 0.800 47 K HN 0.256 nan 8.250 nan 0.000 0.486 48 L N 0.762 121.980 121.223 -0.008 0.000 2.482 48 L HA -0.100 4.240 4.340 -0.001 0.000 0.273 48 L C 1.306 178.240 176.870 0.107 0.000 1.228 48 L CA 0.533 55.402 54.840 0.048 0.000 0.827 48 L CB -0.090 41.977 42.059 0.014 0.000 1.099 48 L HN 0.309 nan 8.230 nan 0.000 0.494 49 W N 2.255 123.545 121.300 -0.017 0.000 2.402 49 W HA -0.157 4.504 4.660 0.000 0.000 0.286 49 W C 1.607 178.117 176.519 -0.015 0.000 1.221 49 W CA 0.924 58.261 57.345 -0.013 0.000 1.257 49 W CB 0.268 29.725 29.460 -0.005 0.000 1.120 49 W HN 0.646 nan 8.180 nan 0.000 0.551 50 K N 0.195 120.509 120.400 -0.143 0.000 2.063 50 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 50 K C 1.437 177.866 176.600 -0.284 0.000 1.048 50 K CA 1.983 58.123 56.287 -0.245 0.000 0.928 50 K CB -0.400 32.046 32.500 -0.090 0.000 0.713 50 K HN 0.079 nan 8.250 nan 0.000 0.442 51 D N 0.523 120.808 120.400 -0.192 0.000 2.149 51 D HA -0.096 4.543 4.640 -0.001 0.000 0.201 51 D C 2.035 178.209 176.300 -0.210 0.000 0.972 51 D CA 0.885 54.785 54.000 -0.167 0.000 0.835 51 D CB -0.190 40.546 40.800 -0.107 0.000 0.966 51 D HN -0.035 nan 8.370 nan 0.000 0.476 52 V N 1.109 120.873 119.914 -0.249 0.000 2.515 52 V HA -0.176 3.944 4.120 -0.001 0.000 0.250 52 V C 2.423 178.242 176.094 -0.459 0.000 1.058 52 V CA 1.235 63.383 62.300 -0.254 0.000 1.064 52 V CB -0.398 31.378 31.823 -0.078 0.000 0.675 52 V HN 0.127 nan 8.190 nan 0.000 0.461 53 K N 0.379 120.288 120.400 -0.818 0.000 2.211 53 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 53 K C 2.142 178.515 176.600 -0.378 0.000 1.050 53 K CA 1.236 57.051 56.287 -0.785 0.000 0.945 53 K CB -0.209 31.691 32.500 -1.001 0.000 0.732 53 K HN 0.447 nan 8.250 nan 0.000 0.451 54 A N 1.362 124.001 122.820 -0.301 0.000 1.969 54 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 54 A C 1.698 179.198 177.584 -0.140 0.000 1.169 54 A CA 0.943 52.869 52.037 -0.184 0.000 0.635 54 A CB -0.226 18.682 19.000 -0.154 0.000 0.810 54 A HN 0.247 nan 8.150 nan 0.000 0.445 55 R N -0.743 119.670 120.500 -0.146 0.000 2.320 55 R HA 0.212 4.551 4.340 -0.001 0.000 0.211 55 R C -0.489 175.761 176.300 -0.084 0.000 0.931 55 R CA 0.160 56.201 56.100 -0.099 0.000 1.071 55 R CB 0.023 30.273 30.300 -0.085 0.000 1.025 55 R HN 0.329 nan 8.270 nan 0.000 0.495 56 I N 0.371 120.877 120.570 -0.107 0.000 2.603 56 I HA 0.434 4.603 4.170 -0.001 0.000 0.300 56 I C -0.314 175.769 176.117 -0.058 0.000 1.017 56 I CA -1.280 59.978 61.300 -0.070 0.000 1.098 56 I CB 1.858 39.816 38.000 -0.069 0.000 1.279 56 I HN -0.139 nan 8.210 nan 0.000 0.437 57 A N 4.409 127.212 122.820 -0.029 0.000 2.530 57 A HA 0.879 5.199 4.320 -0.001 0.000 0.279 57 A C -0.734 176.847 177.584 -0.005 0.000 1.109 57 A CA -0.254 51.770 52.037 -0.021 0.000 0.763 57 A CB 1.250 20.236 19.000 -0.024 0.000 1.257 57 A HN 0.931 nan 8.150 nan 0.000 0.424 58 A N 0.000 122.822 122.820 0.003 0.000 2.254 58 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 58 A CA 0.000 52.044 52.037 0.011 0.000 0.836 58 A CB 0.000 19.014 19.000 0.023 0.000 0.831 58 A HN 0.000 nan 8.150 nan 0.000 0.486