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 1k8a_1_2 DATA FIRST_RESID 1 DATA SEQUENCE TGAGTPSQGK KNTTTHTKCR RCGEKSYHTK KKVCSSCGFG KSAKRRDYEW DATA SEQUENCE QSKAGE 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.700 174.700 0.000 0.000 1.109 1 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1 T CB 0.000 68.868 68.868 0.000 0.000 0.612 2 G N 0.467 109.267 108.800 0.000 0.000 2.406 2 G HA2 0.491 4.451 3.960 0.000 0.000 0.251 2 G HA3 0.491 4.451 3.960 0.000 0.000 0.251 2 G C 0.993 175.893 174.900 0.001 0.000 1.271 2 G CA -0.039 45.061 45.100 0.000 0.000 0.859 2 G HN 1.023 nan 8.290 nan 0.000 0.540 3 A N 2.174 124.994 122.820 0.001 0.000 2.235 3 A HA 0.358 4.678 4.320 0.000 0.000 0.208 3 A C 1.760 179.344 177.584 0.001 0.000 1.172 3 A CA 1.278 53.315 52.037 0.001 0.000 0.786 3 A CB -0.229 18.771 19.000 0.001 0.000 0.804 3 A HN 0.870 nan 8.150 nan 0.000 0.479 4 G N -1.135 107.666 108.800 0.001 0.000 3.286 4 G HA2 0.257 4.218 3.960 0.000 0.000 0.173 4 G HA3 0.257 4.218 3.960 0.000 0.000 0.173 4 G C 1.180 176.081 174.900 0.002 0.000 1.704 4 G CA 0.849 45.950 45.100 0.001 0.000 1.041 4 G HN 0.190 nan 8.290 nan 0.000 0.561 5 T N 2.816 117.371 114.554 0.002 0.000 2.565 5 T HA -0.150 4.200 4.350 0.000 0.000 0.265 5 T C 0.129 174.830 174.700 0.002 0.000 1.082 5 T CA 2.357 64.458 62.100 0.002 0.000 1.173 5 T CB -1.248 67.621 68.868 0.001 0.000 0.864 5 T HN 0.412 nan 8.240 nan 0.000 0.425 6 P HA -0.033 nan 4.420 nan 0.000 0.218 6 P C 1.132 178.433 177.300 0.002 0.000 1.146 6 P CA 1.198 64.299 63.100 0.001 0.000 0.813 6 P CB -0.126 31.574 31.700 0.001 0.000 0.778 7 S N -0.731 114.970 115.700 0.002 0.000 2.593 7 S HA 0.041 4.511 4.470 0.000 0.000 0.217 7 S C 1.710 176.312 174.600 0.003 0.000 0.966 7 S CA 0.227 58.428 58.200 0.002 0.000 0.914 7 S CB -0.252 62.950 63.200 0.002 0.000 0.776 7 S HN 0.145 nan 8.310 nan 0.000 0.523 8 Q N 0.774 120.576 119.800 0.003 0.000 2.331 8 Q HA 0.161 4.501 4.340 0.000 0.000 0.203 8 Q C 2.181 178.183 176.000 0.003 0.000 0.944 8 Q CA 0.727 56.532 55.803 0.003 0.000 0.892 8 Q CB -0.886 27.854 28.738 0.003 0.000 0.983 8 Q HN 0.561 nan 8.270 nan 0.000 0.482 9 G N 1.214 110.015 108.800 0.002 0.000 2.448 9 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 9 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 9 G C 1.281 176.182 174.900 0.002 0.000 1.127 9 G CA 0.334 45.435 45.100 0.002 0.000 0.766 9 G HN 0.295 nan 8.290 nan 0.000 0.552 10 K N 0.321 120.722 120.400 0.002 0.000 2.525 10 K HA 0.068 4.388 4.320 0.000 0.000 0.192 10 K C 0.398 176.998 176.600 0.001 0.000 1.029 10 K CA 0.137 56.425 56.287 0.001 0.000 1.029 10 K CB 0.203 32.703 32.500 0.001 0.000 0.814 10 K HN 0.188 nan 8.250 nan 0.000 0.503 11 K N 2.767 123.168 120.400 0.002 0.000 2.187 11 K HA 0.034 4.354 4.320 0.000 0.000 0.242 11 K C 0.033 176.633 176.600 -0.000 0.000 1.179 11 K CA -0.123 56.165 56.287 0.001 0.000 1.097 11 K CB -0.095 32.407 32.500 0.004 0.000 1.634 11 K HN 0.156 nan 8.250 nan 0.000 0.335 12 N N 0.048 118.747 118.700 -0.003 0.000 2.433 12 N HA 0.015 4.755 4.740 0.000 0.000 0.270 12 N C -0.843 174.662 175.510 -0.008 0.000 1.354 12 N CA -0.467 52.581 53.050 -0.004 0.000 0.889 12 N CB 0.745 39.231 38.487 -0.002 0.000 1.285 12 N HN -0.096 nan 8.380 nan 0.000 0.503 13 T N 0.369 114.915 114.554 -0.013 0.000 2.794 13 T HA 0.351 4.701 4.350 0.000 0.000 0.280 13 T C -0.327 174.350 174.700 -0.040 0.000 0.987 13 T CA -0.060 62.025 62.100 -0.024 0.000 0.993 13 T CB 1.487 70.340 68.868 -0.024 0.000 0.939 13 T HN 0.051 nan 8.240 nan 0.000 0.449 14 T N 3.036 117.561 114.554 -0.048 0.000 2.771 14 T HA 0.422 4.772 4.350 0.000 0.000 0.291 14 T C 1.236 175.853 174.700 -0.139 0.000 0.954 14 T CA -0.503 61.557 62.100 -0.066 0.000 1.045 14 T CB 0.905 69.749 68.868 -0.039 0.000 0.917 14 T HN 0.849 nan 8.240 nan 0.000 0.484 15 T N -0.224 114.197 114.554 -0.223 0.000 3.463 15 T HA 0.165 4.515 4.350 0.000 0.000 0.203 15 T C 0.409 174.775 174.700 -0.557 0.000 0.955 15 T CA -0.308 61.468 62.100 -0.540 0.000 1.230 15 T CB -0.155 68.222 68.868 -0.819 0.000 1.392 15 T HN 0.538 nan 8.240 nan 0.000 0.361 16 H N 3.610 122.508 119.070 -0.287 0.000 2.878 16 H HA 0.476 5.032 4.556 0.000 0.000 0.290 16 H C 0.275 175.591 175.328 -0.021 0.000 1.065 16 H CA 0.572 56.546 56.048 -0.123 0.000 1.477 16 H CB 0.301 30.028 29.762 -0.059 0.000 1.484 16 H HN 0.685 nan 8.280 nan 0.000 0.504 17 T N -0.043 114.602 114.554 0.152 0.000 2.916 17 T HA 0.297 4.647 4.350 0.000 0.000 0.292 17 T C 0.118 174.945 174.700 0.212 0.000 1.064 17 T CA -1.371 60.826 62.100 0.161 0.000 1.011 17 T CB 2.186 71.147 68.868 0.154 0.000 1.152 17 T HN 0.294 nan 8.240 nan 0.000 0.510 18 K N 0.768 121.253 120.400 0.141 0.000 2.440 18 K HA 0.117 4.437 4.320 0.000 0.000 0.275 18 K C 0.053 176.715 176.600 0.104 0.000 1.082 18 K CA -0.247 56.101 56.287 0.101 0.000 1.135 18 K CB -0.677 31.855 32.500 0.054 0.000 0.864 18 K HN 0.782 nan 8.250 nan 0.000 0.479 19 C N 6.319 125.666 119.300 0.078 0.000 2.499 19 C HA 0.249 4.709 4.460 0.000 0.000 0.386 19 C C 1.873 176.751 174.990 -0.188 0.000 1.293 19 C CA -0.581 58.416 59.018 -0.035 0.000 1.884 19 C CB -0.076 27.687 27.740 0.038 0.000 2.509 19 C HN 1.131 nan 8.230 nan 0.000 0.566 20 R N 3.000 123.299 120.500 -0.335 0.000 2.103 20 R HA -0.147 4.193 4.340 0.000 0.000 0.242 20 R C 2.464 178.488 176.300 -0.460 0.000 1.142 20 R CA 2.081 57.965 56.100 -0.360 0.000 0.960 20 R CB -0.302 29.761 30.300 -0.394 0.000 0.858 20 R HN 0.888 nan 8.270 nan 0.000 0.439 21 R N 0.093 120.151 120.500 -0.737 0.000 2.062 21 R HA -0.101 4.239 4.340 0.000 0.000 0.226 21 R C 2.256 178.379 176.300 -0.294 0.000 1.125 21 R CA 1.767 57.491 56.100 -0.628 0.000 0.966 21 R CB -0.178 29.570 30.300 -0.919 0.000 0.861 21 R HN 0.518 nan 8.270 nan 0.000 0.433 22 C N -2.031 117.154 119.300 -0.191 0.000 3.070 22 C HA 0.523 4.983 4.460 0.000 0.000 0.280 22 C C 1.462 176.415 174.990 -0.063 0.000 1.264 22 C CA 0.083 59.046 59.018 -0.092 0.000 1.690 22 C CB 0.089 27.809 27.740 -0.033 0.000 2.049 22 C HN 0.687 nan 8.230 nan 0.000 0.636 23 G N 0.847 109.604 108.800 -0.071 0.000 2.184 23 G HA2 -0.183 3.777 3.960 0.000 0.000 0.264 23 G HA3 -0.183 3.777 3.960 0.000 0.000 0.264 23 G C -0.199 174.698 174.900 -0.005 0.000 0.975 23 G CA 0.627 45.703 45.100 -0.040 0.000 0.642 23 G HN 0.633 nan 8.290 nan 0.000 0.536 24 E N 0.171 120.379 120.200 0.015 0.000 2.319 24 E HA 0.311 4.661 4.350 0.000 0.000 0.268 24 E C 0.525 177.167 176.600 0.070 0.000 1.050 24 E CA -0.619 55.804 56.400 0.038 0.000 0.878 24 E CB 0.956 30.684 29.700 0.046 0.000 1.066 24 E HN 0.365 nan 8.360 nan 0.000 0.406 25 K N 1.357 121.797 120.400 0.067 0.000 2.307 25 K HA 0.156 4.476 4.320 0.000 0.000 0.240 25 K C -0.404 176.269 176.600 0.121 0.000 1.214 25 K CA 0.156 56.499 56.287 0.094 0.000 1.149 25 K CB -0.256 32.283 32.500 0.065 0.000 1.668 25 K HN 0.181 nan 8.250 nan 0.000 0.314 26 S N 1.523 117.337 115.700 0.190 0.000 2.893 26 S HA 0.004 4.474 4.470 0.000 0.000 0.258 26 S C -0.876 173.987 174.600 0.438 0.000 1.034 26 S CA -0.497 57.847 58.200 0.240 0.000 1.167 26 S CB -0.059 63.225 63.200 0.141 0.000 1.137 26 S HN 0.529 nan 8.310 nan 0.000 0.650 27 Y N 3.762 124.202 120.300 0.234 0.000 2.531 27 Y HA 0.299 4.849 4.550 0.000 0.000 0.347 27 Y C 0.304 176.319 175.900 0.191 0.000 1.024 27 Y CA -1.056 57.179 58.100 0.226 0.000 1.306 27 Y CB -0.341 38.234 38.460 0.192 0.000 1.149 27 Y HN 0.271 nan 8.280 nan 0.000 0.527 28 H N 4.443 123.387 119.070 -0.210 0.000 3.157 28 H HA 0.066 4.622 4.556 0.000 0.000 0.260 28 H C 1.494 176.501 175.328 -0.535 0.000 1.232 28 H CA 0.460 56.254 56.048 -0.423 0.000 1.488 28 H CB 0.702 30.231 29.762 -0.389 0.000 1.548 28 H HN 0.896 nan 8.280 nan 0.000 0.487 29 T N 3.280 117.647 114.554 -0.312 0.000 2.918 29 T HA -0.137 4.213 4.350 0.000 0.000 0.271 29 T C 1.790 176.428 174.700 -0.105 0.000 1.104 29 T CA 1.375 63.335 62.100 -0.233 0.000 1.114 29 T CB -0.077 68.732 68.868 -0.098 0.000 0.855 29 T HN 0.540 nan 8.240 nan 0.000 0.518 30 K N 0.470 120.912 120.400 0.071 0.000 2.166 30 K HA 0.134 4.454 4.320 0.000 0.000 0.201 30 K C 2.164 178.734 176.600 -0.050 0.000 1.052 30 K CA 0.797 57.118 56.287 0.057 0.000 0.969 30 K CB 0.003 32.592 32.500 0.150 0.000 0.761 30 K HN 0.380 nan 8.250 nan 0.000 0.459 31 K N 0.641 120.961 120.400 -0.133 0.000 2.356 31 K HA 0.067 4.387 4.320 0.000 0.000 0.195 31 K C -0.118 176.349 176.600 -0.222 0.000 1.037 31 K CA -0.053 56.074 56.287 -0.267 0.000 1.014 31 K CB 0.361 32.578 32.500 -0.472 0.000 0.815 31 K HN -0.142 nan 8.250 nan 0.000 0.507 32 K N 0.513 120.715 120.400 -0.331 0.000 3.096 32 K HA -0.139 4.181 4.320 0.000 0.000 0.266 32 K C -1.021 175.459 176.600 -0.200 0.000 1.043 32 K CA 0.430 56.471 56.287 -0.410 0.000 0.758 32 K CB -2.281 30.151 32.500 -0.113 0.000 1.260 32 K HN 0.053 nan 8.250 nan 0.000 0.481 33 V N -0.105 119.679 119.914 -0.216 0.000 2.808 33 V HA 0.250 4.370 4.120 0.000 0.000 0.308 33 V C -0.056 176.169 176.094 0.217 0.000 1.099 33 V CA -1.160 61.173 62.300 0.056 0.000 0.920 33 V CB 2.587 34.408 31.823 -0.003 0.000 1.014 33 V HN 0.442 nan 8.190 nan 0.000 0.425 34 C N 3.541 123.069 119.300 0.379 0.000 2.347 34 C HA 0.433 4.893 4.460 0.000 0.000 0.353 34 C C 1.922 177.076 174.990 0.274 0.000 1.273 34 C CA 0.336 59.598 59.018 0.406 0.000 1.861 34 C CB 0.602 28.602 27.740 0.433 0.000 2.420 34 C HN 1.112 nan 8.230 nan 0.000 0.542 35 S N 3.162 119.024 115.700 0.271 0.000 2.522 35 S HA -0.066 4.404 4.470 0.000 0.000 0.227 35 S C 1.543 176.245 174.600 0.170 0.000 0.986 35 S CA 1.260 59.586 58.200 0.210 0.000 0.929 35 S CB -0.040 63.278 63.200 0.197 0.000 0.769 35 S HN 0.808 nan 8.310 nan 0.000 0.529 36 S N 0.470 116.268 115.700 0.163 0.000 2.517 36 S HA 0.043 4.513 4.470 0.000 0.000 0.228 36 S C 1.863 176.532 174.600 0.115 0.000 1.060 36 S CA 0.626 58.900 58.200 0.123 0.000 0.937 36 S CB -0.347 62.910 63.200 0.095 0.000 0.840 36 S HN 0.872 nan 8.310 nan 0.000 0.546 37 C N 0.221 119.600 119.300 0.130 0.000 3.070 37 C HA 0.687 5.147 4.460 0.000 0.000 0.280 37 C C 1.798 176.871 174.990 0.139 0.000 1.264 37 C CA 0.247 59.329 59.018 0.106 0.000 1.690 37 C CB -0.493 27.297 27.740 0.083 0.000 2.049 37 C HN 0.772 nan 8.230 nan 0.000 0.636 38 G N 0.615 109.524 108.800 0.181 0.000 2.162 38 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 38 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 38 G C -0.145 174.874 174.900 0.197 0.000 0.976 38 G CA 0.294 45.495 45.100 0.168 0.000 0.655 38 G HN 0.868 nan 8.290 nan 0.000 0.533 39 F N 1.589 121.595 119.950 0.094 0.000 2.590 39 F HA 0.400 4.927 4.527 0.000 0.000 0.389 39 F C 1.483 177.374 175.800 0.152 0.000 1.049 39 F CA 1.179 59.226 58.000 0.079 0.000 1.199 39 F CB 0.425 39.440 39.000 0.024 0.000 1.058 39 F HN 1.143 nan 8.300 nan 0.000 0.556 40 G N 4.567 113.084 108.800 -0.472 0.000 2.195 40 G HA2 -0.311 3.649 3.960 0.000 0.000 0.224 40 G HA3 -0.311 3.649 3.960 0.000 0.000 0.224 40 G C 0.951 175.773 174.900 -0.129 0.000 0.990 40 G CA 0.409 45.287 45.100 -0.369 0.000 0.639 40 G HN 0.793 nan 8.290 nan 0.000 0.514 41 K N -0.432 119.939 120.400 -0.047 0.000 2.485 41 K HA 0.438 4.758 4.320 0.000 0.000 0.200 41 K C 0.665 177.270 176.600 0.008 0.000 1.352 41 K CA 0.982 57.266 56.287 -0.006 0.000 0.953 41 K CB 0.597 33.117 32.500 0.033 0.000 1.387 41 K HN 0.510 nan 8.250 nan 0.000 0.512 42 S N -0.777 114.941 115.700 0.029 0.000 2.536 42 S HA 0.589 5.059 4.470 0.000 0.000 0.287 42 S C 0.268 174.897 174.600 0.047 0.000 1.101 42 S CA -0.247 57.971 58.200 0.030 0.000 0.950 42 S CB 1.863 65.081 63.200 0.029 0.000 1.056 42 S HN 0.291 nan 8.310 nan 0.000 0.481 43 A N 4.186 127.027 122.820 0.035 0.000 1.929 43 A HA 0.213 4.533 4.320 0.000 0.000 0.216 43 A C 0.863 178.473 177.584 0.042 0.000 1.176 43 A CA 0.857 52.924 52.037 0.049 0.000 0.628 43 A CB -0.334 18.684 19.000 0.030 0.000 0.816 43 A HN 0.767 nan 8.150 nan 0.000 0.444 44 K N 0.895 121.306 120.400 0.017 0.000 2.270 44 K HA 0.258 4.578 4.320 0.000 0.000 0.276 44 K C -0.298 176.298 176.600 -0.008 0.000 1.023 44 K CA -0.607 55.677 56.287 -0.005 0.000 0.955 44 K CB 0.581 33.065 32.500 -0.027 0.000 0.975 44 K HN 0.168 nan 8.250 nan 0.000 0.471 45 R N 2.553 123.039 120.500 -0.023 0.000 2.489 45 R HA 0.026 4.366 4.340 0.000 0.000 0.287 45 R C 0.319 176.572 176.300 -0.077 0.000 1.053 45 R CA -0.018 56.066 56.100 -0.027 0.000 1.036 45 R CB 0.354 30.632 30.300 -0.036 0.000 0.966 45 R HN 0.599 nan 8.270 nan 0.000 0.432 46 R N 1.896 122.365 120.500 -0.052 0.000 2.538 46 R HA -0.078 4.262 4.340 0.000 0.000 0.282 46 R C -0.795 175.378 176.300 -0.212 0.000 1.009 46 R CA 0.780 56.813 56.100 -0.112 0.000 1.063 46 R CB 0.277 30.596 30.300 0.031 0.000 0.945 46 R HN 0.682 nan 8.270 nan 0.000 0.414 47 D N 2.658 122.764 120.400 -0.490 0.000 2.747 47 D HA 0.233 4.873 4.640 0.000 0.000 0.218 47 D C -1.996 173.770 176.300 -0.891 0.000 1.230 47 D CA -0.402 53.309 54.000 -0.482 0.000 0.774 47 D CB 0.595 41.221 40.800 -0.289 0.000 1.667 47 D HN 0.408 nan 8.370 nan 0.000 0.499 48 Y N 1.145 121.153 120.300 -0.487 0.000 2.524 48 Y HA 0.323 4.873 4.550 0.000 0.000 0.347 48 Y C 1.079 176.639 175.900 -0.567 0.000 1.005 48 Y CA -0.859 56.822 58.100 -0.699 0.000 1.025 48 Y CB 2.066 39.567 38.460 -1.599 0.000 1.275 48 Y HN 0.279 nan 8.280 nan 0.000 0.460 49 E N 1.794 121.868 120.200 -0.210 0.000 2.268 49 E HA -0.134 4.216 4.350 0.000 0.000 0.195 49 E C 1.390 178.016 176.600 0.043 0.000 0.995 49 E CA 0.944 57.307 56.400 -0.062 0.000 0.836 49 E CB -0.039 29.674 29.700 0.021 0.000 0.763 49 E HN 0.846 nan 8.360 nan 0.000 0.491 50 W N 0.558 121.925 121.300 0.111 0.000 3.180 50 W HA 0.116 4.776 4.660 0.000 0.000 0.254 50 W C 0.664 177.220 176.519 0.061 0.000 1.318 50 W CA -0.191 57.193 57.345 0.066 0.000 1.608 50 W CB -0.387 29.097 29.460 0.040 0.000 1.124 50 W HN 0.016 nan 8.180 nan 0.000 0.694 51 Q N 1.762 121.621 119.800 0.097 0.000 2.444 51 Q HA 0.000 4.340 4.340 0.000 0.000 0.206 51 Q C 0.728 176.793 176.000 0.109 0.000 0.948 51 Q CA 0.724 56.591 55.803 0.107 0.000 0.946 51 Q CB 0.255 28.930 28.738 -0.106 0.000 1.027 51 Q HN 0.207 nan 8.270 nan 0.000 0.513 52 S N -1.104 114.659 115.700 0.106 0.000 2.607 52 S HA 0.438 4.908 4.470 0.000 0.000 0.273 52 S C -0.813 173.841 174.600 0.089 0.000 1.148 52 S CA -1.237 57.009 58.200 0.076 0.000 0.833 52 S CB 1.794 65.016 63.200 0.037 0.000 1.130 52 S HN -0.187 nan 8.310 nan 0.000 0.470 53 K N 0.997 121.437 120.400 0.067 0.000 2.485 53 K HA 0.289 4.609 4.320 0.000 0.000 0.277 53 K C 1.679 178.314 176.600 0.058 0.000 0.990 53 K CA 0.512 56.836 56.287 0.061 0.000 0.994 53 K CB 0.353 32.879 32.500 0.043 0.000 0.906 53 K HN 0.841 nan 8.250 nan 0.000 0.488 54 A N 3.166 126.023 122.820 0.061 0.000 1.915 54 A HA -0.179 4.141 4.320 0.000 0.000 0.220 54 A C 1.622 179.230 177.584 0.039 0.000 1.198 54 A CA 2.308 54.379 52.037 0.056 0.000 0.647 54 A CB -0.724 18.306 19.000 0.052 0.000 0.825 54 A HN 0.750 nan 8.150 nan 0.000 0.456 55 G N -0.905 107.914 108.800 0.032 0.000 3.562 55 G HA2 0.429 4.389 3.960 0.000 0.000 0.279 55 G HA3 0.429 4.389 3.960 0.000 0.000 0.279 55 G C 0.038 174.950 174.900 0.020 0.000 1.314 55 G CA 0.562 45.676 45.100 0.023 0.000 1.189 55 G HN 0.666 nan 8.290 nan 0.000 0.562 56 E N 0.000 120.213 120.200 0.022 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.410 56.400 0.017 0.000 0.000 56 E CB 0.000 29.711 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000