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 1df4_1_A DATA FIRST_RESID 3 DATA SEQUENCE IVQQQNNLLR AIEAQQHLLQ LTVWGIKQLQ AXXXXXGGWM EWDREINNYT DATA SEQUENCE SLIHSLIEES QN 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.119 176.117 0.003 0.000 1.063 3 I CA 0.000 61.302 61.300 0.003 0.000 1.566 3 I CB 0.000 38.002 38.000 0.003 0.000 1.214 4 V N 1.703 121.619 119.914 0.003 0.000 2.295 4 V HA -0.271 3.847 4.120 -0.003 0.000 0.246 4 V C 2.780 178.876 176.094 0.003 0.000 1.049 4 V CA 2.884 65.186 62.300 0.003 0.000 1.024 4 V CB -0.900 30.925 31.823 0.003 0.000 0.648 4 V HN 0.572 nan 8.190 nan 0.000 0.447 5 Q N -0.474 119.327 119.800 0.003 0.000 2.124 5 Q HA -0.306 4.032 4.340 -0.003 0.000 0.202 5 Q C 2.319 178.322 176.000 0.004 0.000 0.977 5 Q CA 2.355 58.159 55.803 0.003 0.000 0.850 5 Q CB -0.483 28.256 28.738 0.002 0.000 0.901 5 Q HN 0.817 nan 8.270 nan 0.000 0.429 6 Q N -0.043 119.759 119.800 0.004 0.000 2.119 6 Q HA -0.091 4.247 4.340 -0.003 0.000 0.201 6 Q C 2.147 178.151 176.000 0.006 0.000 0.972 6 Q CA 2.246 58.052 55.803 0.005 0.000 0.847 6 Q CB -0.240 28.501 28.738 0.005 0.000 0.903 6 Q HN 0.720 nan 8.270 nan 0.000 0.433 7 Q N -0.367 119.436 119.800 0.006 0.000 2.119 7 Q HA -0.116 4.222 4.340 -0.003 0.000 0.201 7 Q C 1.739 177.743 176.000 0.007 0.000 0.972 7 Q CA 1.492 57.299 55.803 0.007 0.000 0.847 7 Q CB -0.076 28.666 28.738 0.006 0.000 0.903 7 Q HN 0.605 nan 8.270 nan 0.000 0.433 8 N N 0.339 119.043 118.700 0.007 0.000 2.188 8 N HA -0.128 4.610 4.740 -0.003 0.000 0.184 8 N C 1.367 176.882 175.510 0.009 0.000 1.018 8 N CA 0.985 54.039 53.050 0.007 0.000 0.858 8 N CB -0.125 38.365 38.487 0.006 0.000 0.989 8 N HN 0.280 nan 8.380 nan 0.000 0.426 9 N N 1.139 119.843 118.700 0.008 0.000 2.043 9 N HA -0.115 4.623 4.740 -0.003 0.000 0.193 9 N C 1.705 177.221 175.510 0.011 0.000 1.037 9 N CA 0.877 53.932 53.050 0.009 0.000 0.851 9 N CB -0.125 38.366 38.487 0.007 0.000 1.027 9 N HN 0.139 nan 8.380 nan 0.000 0.422 10 L N 0.459 121.688 121.223 0.011 0.000 2.046 10 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 10 L C 2.367 179.246 176.870 0.015 0.000 1.077 10 L CA 0.531 55.379 54.840 0.012 0.000 0.747 10 L CB -0.416 41.650 42.059 0.011 0.000 0.896 10 L HN 0.247 nan 8.230 nan 0.000 0.432 11 L N 0.162 121.394 121.223 0.015 0.000 2.017 11 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 11 L C 2.721 179.604 176.870 0.023 0.000 1.073 11 L CA 1.727 56.577 54.840 0.018 0.000 0.745 11 L CB -0.558 41.510 42.059 0.015 0.000 0.894 11 L HN 0.084 nan 8.230 nan 0.000 0.432 12 R N -0.614 119.899 120.500 0.021 0.000 2.120 12 R HA -0.120 4.218 4.340 -0.003 0.000 0.234 12 R C 2.209 178.529 176.300 0.033 0.000 1.123 12 R CA 1.194 57.310 56.100 0.027 0.000 0.975 12 R CB -0.591 29.720 30.300 0.019 0.000 0.866 12 R HN 0.556 nan 8.270 nan 0.000 0.446 13 A N 1.190 124.027 122.820 0.027 0.000 1.873 13 A HA -0.127 4.192 4.320 -0.003 0.000 0.215 13 A C 2.125 179.730 177.584 0.036 0.000 1.186 13 A CA 1.126 53.180 52.037 0.028 0.000 0.616 13 A CB -0.398 18.615 19.000 0.021 0.000 0.823 13 A HN 0.167 nan 8.150 nan 0.000 0.442 14 I N -0.372 120.217 120.570 0.031 0.000 2.286 14 I HA -0.262 3.906 4.170 -0.003 0.000 0.248 14 I C 2.482 178.623 176.117 0.041 0.000 1.115 14 I CA 1.547 62.866 61.300 0.031 0.000 1.392 14 I CB -0.394 37.621 38.000 0.025 0.000 1.065 14 I HN 0.436 nan 8.210 nan 0.000 0.418 15 E N 0.874 121.103 120.200 0.049 0.000 2.051 15 E HA -0.226 4.122 4.350 -0.003 0.000 0.192 15 E C 2.340 179.026 176.600 0.144 0.000 0.991 15 E CA 1.402 57.843 56.400 0.068 0.000 0.799 15 E CB -0.216 29.531 29.700 0.078 0.000 0.748 15 E HN 0.526 nan 8.360 nan 0.000 0.449 16 A N 1.019 123.922 122.820 0.137 0.000 1.930 16 A HA -0.214 4.104 4.320 -0.003 0.000 0.217 16 A C 2.026 179.689 177.584 0.131 0.000 1.175 16 A CA 1.183 53.314 52.037 0.157 0.000 0.627 16 A CB -0.332 18.712 19.000 0.073 0.000 0.815 16 A HN 0.162 nan 8.150 nan 0.000 0.443 17 Q N -1.251 118.599 119.800 0.082 0.000 2.170 17 Q HA -0.236 4.102 4.340 -0.003 0.000 0.203 17 Q C 2.253 178.290 176.000 0.061 0.000 0.976 17 Q CA 1.592 57.432 55.803 0.063 0.000 0.858 17 Q CB -0.114 28.649 28.738 0.041 0.000 0.907 17 Q HN 0.738 nan 8.270 nan 0.000 0.433 18 Q N -0.090 119.738 119.800 0.046 0.000 2.119 18 Q HA -0.171 4.167 4.340 -0.003 0.000 0.201 18 Q C 1.641 177.638 176.000 -0.005 0.000 0.972 18 Q CA 1.526 57.333 55.803 0.005 0.000 0.847 18 Q CB -0.070 28.655 28.738 -0.023 0.000 0.903 18 Q HN 0.477 nan 8.270 nan 0.000 0.433 19 H N -0.572 118.521 119.070 0.037 0.000 2.353 19 H HA -0.122 4.431 4.556 -0.003 0.000 0.300 19 H C 1.904 177.247 175.328 0.025 0.000 1.090 19 H CA 1.613 57.676 56.048 0.024 0.000 1.327 19 H CB -0.146 29.618 29.762 0.003 0.000 1.383 19 H HN 0.266 nan 8.280 nan 0.000 0.508 20 L N 1.014 122.329 121.223 0.153 0.000 2.017 20 L HA -0.140 4.199 4.340 -0.003 0.000 0.208 20 L C 2.488 179.410 176.870 0.087 0.000 1.073 20 L CA 1.201 56.100 54.840 0.098 0.000 0.745 20 L CB -0.948 41.156 42.059 0.074 0.000 0.894 20 L HN 0.130 nan 8.230 nan 0.000 0.432 21 L N -0.966 120.299 121.223 0.071 0.000 2.013 21 L HA -0.287 4.051 4.340 -0.003 0.000 0.212 21 L C 2.732 179.648 176.870 0.076 0.000 1.073 21 L CA 1.438 56.315 54.840 0.061 0.000 0.753 21 L CB -0.642 41.437 42.059 0.033 0.000 0.890 21 L HN 0.403 nan 8.230 nan 0.000 0.432 22 Q N -0.328 119.516 119.800 0.072 0.000 2.124 22 Q HA -0.177 4.161 4.340 -0.003 0.000 0.202 22 Q C 2.361 178.446 176.000 0.141 0.000 0.977 22 Q CA 1.395 57.253 55.803 0.092 0.000 0.850 22 Q CB -0.200 28.581 28.738 0.071 0.000 0.901 22 Q HN 0.558 nan 8.270 nan 0.000 0.429 23 L N 0.366 121.664 121.223 0.124 0.000 2.093 23 L HA -0.176 4.163 4.340 -0.003 0.000 0.208 23 L C 2.746 179.746 176.870 0.217 0.000 1.085 23 L CA 1.722 56.650 54.840 0.146 0.000 0.755 23 L CB -0.802 41.307 42.059 0.084 0.000 0.904 23 L HN 0.326 nan 8.230 nan 0.000 0.435 24 T N -3.201 111.452 114.554 0.164 0.000 2.857 24 T HA -0.097 4.252 4.350 -0.003 0.000 0.266 24 T C 1.832 176.644 174.700 0.185 0.000 1.048 24 T CA 1.099 63.294 62.100 0.158 0.000 1.139 24 T CB -0.532 68.406 68.868 0.118 0.000 0.874 24 T HN 0.056 nan 8.240 nan 0.000 0.455 25 V N 0.011 120.040 119.914 0.192 0.000 2.295 25 V HA -0.088 4.030 4.120 -0.003 0.000 0.246 25 V C 2.221 178.455 176.094 0.234 0.000 1.049 25 V CA 1.987 64.418 62.300 0.219 0.000 1.024 25 V CB -0.959 30.941 31.823 0.129 0.000 0.648 25 V HN 0.737 nan 8.190 nan 0.000 0.447 26 W N 1.188 122.522 121.300 0.057 0.000 2.338 26 W HA -0.118 4.542 4.660 0.001 0.000 0.304 26 W C 2.295 178.824 176.519 0.018 0.000 1.212 26 W CA 1.901 59.267 57.345 0.035 0.000 1.264 26 W CB -0.601 28.876 29.460 0.029 0.000 1.142 26 W HN 0.253 nan 8.180 nan 0.000 0.512 27 G N 0.591 109.539 108.800 0.247 0.000 2.418 27 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.217 27 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.217 27 G C 1.475 176.294 174.900 -0.134 0.000 1.158 27 G CA 1.414 46.543 45.100 0.048 0.000 0.771 27 G HN 0.348 nan 8.290 nan 0.000 0.545 28 I N 0.310 120.837 120.570 -0.073 0.000 2.226 28 I HA -0.145 4.023 4.170 -0.003 0.000 0.245 28 I C 2.780 178.680 176.117 -0.362 0.000 1.100 28 I CA 1.166 62.355 61.300 -0.186 0.000 1.374 28 I CB -0.120 37.819 38.000 -0.101 0.000 1.057 28 I HN 0.110 nan 8.210 nan 0.000 0.413 29 K N 0.191 120.405 120.400 -0.310 0.000 2.147 29 K HA -0.188 4.130 4.320 -0.003 0.000 0.205 29 K C 2.164 178.494 176.600 -0.451 0.000 1.049 29 K CA 0.999 57.050 56.287 -0.394 0.000 0.936 29 K CB -0.046 32.302 32.500 -0.253 0.000 0.722 29 K HN 0.274 nan 8.250 nan 0.000 0.446 30 Q N 0.571 120.047 119.800 -0.539 0.000 2.123 30 Q HA -0.038 4.300 4.340 -0.003 0.000 0.199 30 Q C 2.144 177.952 176.000 -0.320 0.000 0.966 30 Q CA 1.105 56.602 55.803 -0.509 0.000 0.845 30 Q CB -0.159 28.162 28.738 -0.695 0.000 0.907 30 Q HN 0.349 nan 8.270 nan 0.000 0.439 31 L N 1.175 122.227 121.223 -0.285 0.000 2.156 31 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 31 L C 2.559 179.308 176.870 -0.202 0.000 1.095 31 L CA 1.174 55.895 54.840 -0.199 0.000 0.770 31 L CB -0.428 41.535 42.059 -0.160 0.000 0.914 31 L HN 0.322 nan 8.230 nan 0.000 0.439 32 Q N 0.443 120.053 119.800 -0.317 0.000 2.269 32 Q HA 0.083 4.421 4.340 -0.003 0.000 0.201 32 Q C 1.203 177.087 176.000 -0.193 0.000 0.946 32 Q CA 0.650 56.271 55.803 -0.302 0.000 0.877 32 Q CB -0.022 28.269 28.738 -0.746 0.000 0.963 32 Q HN 0.354 nan 8.270 nan 0.000 0.472 40 G N -0.973 107.840 108.800 0.021 0.000 2.176 40 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.253 40 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.253 40 G C 0.764 175.577 174.900 -0.146 0.000 0.979 40 G CA 0.609 45.644 45.100 -0.109 0.000 0.641 40 G HN 0.576 nan 8.290 nan 0.000 0.530 41 W N -0.199 121.117 121.300 0.028 0.000 3.239 41 W HA 0.557 5.212 4.660 -0.009 0.000 0.348 41 W C 2.631 179.250 176.519 0.168 0.000 1.183 41 W CA 0.815 58.209 57.345 0.082 0.000 1.819 41 W CB -0.255 29.227 29.460 0.037 0.000 1.091 41 W HN 0.365 nan 8.180 nan 0.000 0.629 42 M N -0.099 119.670 119.600 0.281 0.000 2.108 42 M HA -0.195 4.283 4.480 -0.003 0.000 0.261 42 M C 1.794 178.216 176.300 0.203 0.000 1.066 42 M CA 2.770 58.196 55.300 0.210 0.000 1.107 42 M CB -1.141 31.535 32.600 0.126 0.000 1.356 42 M HN 0.088 nan 8.290 nan 0.000 0.406 43 E N -1.271 119.045 120.200 0.193 0.000 2.107 43 E HA -0.169 4.179 4.350 -0.003 0.000 0.191 43 E C 1.699 178.440 176.600 0.234 0.000 0.982 43 E CA 1.842 58.340 56.400 0.163 0.000 0.809 43 E CB -0.632 29.140 29.700 0.121 0.000 0.756 43 E HN 0.802 nan 8.360 nan 0.000 0.459 44 W N 1.319 122.708 121.300 0.148 0.000 2.358 44 W HA -0.145 4.516 4.660 0.002 0.000 0.303 44 W C 1.404 178.020 176.519 0.162 0.000 1.208 44 W CA 1.964 59.428 57.345 0.200 0.000 1.274 44 W CB -0.167 29.523 29.460 0.383 0.000 1.138 44 W HN 0.076 nan 8.180 nan 0.000 0.515 45 D N -0.479 120.133 120.400 0.353 0.000 2.117 45 D HA -0.192 4.446 4.640 -0.003 0.000 0.198 45 D C 2.144 178.433 176.300 -0.019 0.000 0.982 45 D CA 1.434 55.499 54.000 0.108 0.000 0.828 45 D CB -0.552 40.370 40.800 0.203 0.000 0.967 45 D HN 0.206 nan 8.370 nan 0.000 0.464 46 R N 0.722 121.241 120.500 0.032 0.000 2.083 46 R HA -0.145 4.193 4.340 -0.003 0.000 0.237 46 R C 1.790 178.055 176.300 -0.057 0.000 1.137 46 R CA 1.216 57.311 56.100 -0.008 0.000 0.951 46 R CB 0.142 30.453 30.300 0.018 0.000 0.851 46 R HN 0.040 nan 8.270 nan 0.000 0.434 47 E N 0.514 120.684 120.200 -0.050 0.000 2.106 47 E HA -0.144 4.204 4.350 -0.003 0.000 0.192 47 E C 2.071 178.634 176.600 -0.061 0.000 0.984 47 E CA 0.722 57.109 56.400 -0.022 0.000 0.806 47 E CB -0.098 29.631 29.700 0.049 0.000 0.750 47 E HN 0.381 nan 8.360 nan 0.000 0.458 48 I N 2.004 122.403 120.570 -0.285 0.000 2.179 48 I HA -0.256 3.912 4.170 -0.003 0.000 0.242 48 I C 1.809 177.812 176.117 -0.191 0.000 1.088 48 I CA 1.076 62.170 61.300 -0.343 0.000 1.357 48 I CB -1.006 36.590 38.000 -0.672 0.000 1.051 48 I HN 0.086 nan 8.210 nan 0.000 0.409 49 N N 1.424 120.026 118.700 -0.164 0.000 2.084 49 N HA -0.163 4.575 4.740 -0.003 0.000 0.190 49 N C 1.564 176.988 175.510 -0.142 0.000 1.030 49 N CA 1.220 54.194 53.050 -0.126 0.000 0.849 49 N CB -0.565 37.871 38.487 -0.085 0.000 1.012 49 N HN 0.358 nan 8.380 nan 0.000 0.423 50 N N 0.226 118.829 118.700 -0.163 0.000 2.106 50 N HA -0.097 4.642 4.740 -0.003 0.000 0.188 50 N C 1.743 177.067 175.510 -0.309 0.000 1.029 50 N CA 0.889 53.792 53.050 -0.244 0.000 0.848 50 N CB -0.592 37.707 38.487 -0.314 0.000 1.007 50 N HN 0.400 nan 8.380 nan 0.000 0.423 51 Y N 1.068 121.286 120.300 -0.137 0.000 2.242 51 Y HA -0.087 4.461 4.550 -0.003 0.000 0.291 51 Y C 2.510 178.300 175.900 -0.183 0.000 1.137 51 Y CA 1.143 59.162 58.100 -0.136 0.000 1.181 51 Y CB -0.409 37.975 38.460 -0.127 0.000 0.989 51 Y HN 0.045 nan 8.280 nan 0.000 0.527 52 T N -1.048 113.435 114.554 -0.118 0.000 2.746 52 T HA -0.196 4.152 4.350 -0.003 0.000 0.267 52 T C 2.129 176.534 174.700 -0.492 0.000 1.039 52 T CA 1.720 63.627 62.100 -0.322 0.000 1.142 52 T CB -0.400 68.278 68.868 -0.317 0.000 0.866 52 T HN 0.252 nan 8.240 nan 0.000 0.444 53 S N 1.122 116.644 115.700 -0.297 0.000 2.368 53 S HA -0.015 4.454 4.470 -0.003 0.000 0.224 53 S C 1.930 176.461 174.600 -0.116 0.000 1.029 53 S CA 0.605 58.693 58.200 -0.188 0.000 0.988 53 S CB -0.459 62.672 63.200 -0.114 0.000 0.838 53 S HN 0.267 nan 8.310 nan 0.000 0.462 54 L N 1.569 122.719 121.223 -0.120 0.000 2.012 54 L HA -0.030 4.309 4.340 -0.003 0.000 0.210 54 L C 2.019 178.882 176.870 -0.013 0.000 1.073 54 L CA 1.525 56.325 54.840 -0.066 0.000 0.748 54 L CB -0.660 41.349 42.059 -0.084 0.000 0.891 54 L HN 0.271 nan 8.230 nan 0.000 0.431 55 I N -0.859 119.698 120.570 -0.021 0.000 2.315 55 I HA -0.281 3.887 4.170 -0.003 0.000 0.248 55 I C 2.386 178.556 176.117 0.089 0.000 1.117 55 I CA 1.620 62.933 61.300 0.022 0.000 1.404 55 I CB -0.550 37.455 38.000 0.009 0.000 1.071 55 I HN 0.435 nan 8.210 nan 0.000 0.419 56 H N -0.558 118.499 119.070 -0.022 0.000 2.352 56 H HA -0.153 4.401 4.556 -0.003 0.000 0.299 56 H C 2.491 177.806 175.328 -0.023 0.000 1.097 56 H CA 1.401 57.431 56.048 -0.031 0.000 1.311 56 H CB -0.102 29.638 29.762 -0.036 0.000 1.377 56 H HN 0.490 nan 8.280 nan 0.000 0.504 57 S N 0.903 116.669 115.700 0.110 0.000 2.368 57 S HA -0.135 4.333 4.470 -0.003 0.000 0.225 57 S C 2.131 176.753 174.600 0.037 0.000 1.030 57 S CA 0.912 59.142 58.200 0.051 0.000 0.999 57 S CB -0.598 62.616 63.200 0.024 0.000 0.844 57 S HN 0.301 nan 8.310 nan 0.000 0.459 58 L N 0.492 121.738 121.223 0.038 0.000 2.093 58 L HA 0.082 4.420 4.340 -0.003 0.000 0.208 58 L C 2.604 179.491 176.870 0.029 0.000 1.085 58 L CA 1.035 55.892 54.840 0.029 0.000 0.755 58 L CB -0.462 41.615 42.059 0.030 0.000 0.904 58 L HN 0.322 nan 8.230 nan 0.000 0.435 59 I N -0.613 119.980 120.570 0.038 0.000 2.202 59 I HA -0.254 3.914 4.170 -0.003 0.000 0.242 59 I C 2.700 178.824 176.117 0.012 0.000 1.091 59 I CA 1.102 62.417 61.300 0.025 0.000 1.368 59 I CB -0.230 37.786 38.000 0.027 0.000 1.058 59 I HN 0.123 nan 8.210 nan 0.000 0.410 60 E N 0.135 120.342 120.200 0.011 0.000 2.110 60 E HA -0.287 4.061 4.350 -0.003 0.000 0.193 60 E C 1.913 178.515 176.600 0.004 0.000 0.988 60 E CA 1.275 57.675 56.400 0.000 0.000 0.804 60 E CB -0.444 29.255 29.700 -0.002 0.000 0.745 60 E HN 0.614 nan 8.360 nan 0.000 0.458 61 E N 0.339 120.545 120.200 0.009 0.000 2.058 61 E HA -0.200 4.148 4.350 -0.003 0.000 0.194 61 E C 2.248 178.852 176.600 0.007 0.000 0.997 61 E CA 1.596 58.000 56.400 0.007 0.000 0.801 61 E CB -0.143 29.563 29.700 0.009 0.000 0.746 61 E HN 0.297 nan 8.360 nan 0.000 0.450 62 S N 0.541 116.247 115.700 0.009 0.000 2.368 62 S HA -0.186 4.283 4.470 -0.003 0.000 0.225 62 S C 1.929 176.533 174.600 0.006 0.000 1.030 62 S CA 1.246 59.451 58.200 0.009 0.000 0.999 62 S CB -0.245 62.962 63.200 0.012 0.000 0.844 62 S HN 0.327 nan 8.310 nan 0.000 0.459 63 Q N 1.187 120.990 119.800 0.005 0.000 2.096 63 Q HA -0.070 4.268 4.340 -0.003 0.000 0.204 63 Q C 1.365 177.366 176.000 0.002 0.000 0.982 63 Q CA 0.751 56.555 55.803 0.003 0.000 0.850 63 Q CB -0.184 28.554 28.738 -0.000 0.000 0.901 63 Q HN 0.507 nan 8.270 nan 0.000 0.422 64 N N 0.000 118.701 118.700 0.001 0.000 0.000 64 N HA 0.000 4.738 4.740 -0.003 0.000 0.000 64 N CA 0.000 53.050 53.050 0.000 0.000 0.000 64 N CB 0.000 38.487 38.487 0.000 0.000 0.000 64 N HN 0.000 nan 8.380 nan 0.000 0.000