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 1kqs_1_Z 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 0.001 0.000 1.109 1 T CA 0.000 62.100 62.100 0.001 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.535 109.335 108.800 0.001 0.000 2.406 2 G HA2 0.488 4.448 3.960 0.000 0.000 0.251 2 G HA3 0.488 4.448 3.960 0.000 0.000 0.251 2 G C 0.976 175.877 174.900 0.001 0.000 1.271 2 G CA -0.045 45.056 45.100 0.001 0.000 0.859 2 G HN 1.028 nan 8.290 nan 0.000 0.540 3 A N 2.023 124.844 122.820 0.001 0.000 2.235 3 A HA 0.392 4.712 4.320 0.000 0.000 0.208 3 A C 1.705 179.290 177.584 0.002 0.000 1.172 3 A CA 1.175 53.213 52.037 0.002 0.000 0.786 3 A CB -0.231 18.770 19.000 0.001 0.000 0.804 3 A HN 0.879 nan 8.150 nan 0.000 0.479 4 G N -1.101 107.701 108.800 0.002 0.000 3.286 4 G HA2 0.253 4.213 3.960 0.000 0.000 0.173 4 G HA3 0.253 4.213 3.960 0.000 0.000 0.173 4 G C 1.179 176.081 174.900 0.003 0.000 1.704 4 G CA 0.853 45.955 45.100 0.002 0.000 1.041 4 G HN 0.190 nan 8.290 nan 0.000 0.561 5 T N 2.753 117.308 114.554 0.002 0.000 2.620 5 T HA -0.137 4.213 4.350 0.000 0.000 0.267 5 T C 0.085 174.786 174.700 0.003 0.000 1.044 5 T CA 2.210 64.312 62.100 0.003 0.000 1.161 5 T CB -1.175 67.695 68.868 0.002 0.000 0.862 5 T HN 0.377 nan 8.240 nan 0.000 0.438 6 P HA 0.015 nan 4.420 nan 0.000 0.219 6 P C 1.200 178.502 177.300 0.003 0.000 1.146 6 P CA 1.092 64.194 63.100 0.002 0.000 0.808 6 P CB -0.107 31.595 31.700 0.002 0.000 0.779 7 S N -0.587 115.115 115.700 0.003 0.000 2.593 7 S HA 0.031 4.501 4.470 0.000 0.000 0.217 7 S C 1.706 176.309 174.600 0.004 0.000 0.966 7 S CA 0.283 58.485 58.200 0.004 0.000 0.914 7 S CB -0.307 62.895 63.200 0.004 0.000 0.776 7 S HN 0.144 nan 8.310 nan 0.000 0.523 8 Q N 0.656 120.459 119.800 0.004 0.000 2.331 8 Q HA 0.156 4.497 4.340 0.000 0.000 0.203 8 Q C 2.212 178.215 176.000 0.005 0.000 0.944 8 Q CA 0.737 56.543 55.803 0.005 0.000 0.892 8 Q CB -0.887 27.854 28.738 0.005 0.000 0.983 8 Q HN 0.558 nan 8.270 nan 0.000 0.482 9 G N 1.284 110.086 108.800 0.004 0.000 2.448 9 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 9 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 9 G C 1.303 176.205 174.900 0.003 0.000 1.127 9 G CA 0.413 45.515 45.100 0.004 0.000 0.766 9 G HN 0.305 nan 8.290 nan 0.000 0.552 10 K N 0.285 120.687 120.400 0.004 0.000 2.487 10 K HA 0.077 4.397 4.320 0.000 0.000 0.192 10 K C 0.438 177.040 176.600 0.003 0.000 1.027 10 K CA 0.128 56.417 56.287 0.003 0.000 1.054 10 K CB 0.234 32.736 32.500 0.003 0.000 0.824 10 K HN 0.178 nan 8.250 nan 0.000 0.510 11 K N 2.798 123.200 120.400 0.004 0.000 2.155 11 K HA 0.030 4.350 4.320 0.000 0.000 0.240 11 K C 0.091 176.693 176.600 0.003 0.000 1.193 11 K CA -0.086 56.204 56.287 0.005 0.000 1.104 11 K CB -0.110 32.394 32.500 0.007 0.000 1.558 11 K HN 0.157 nan 8.250 nan 0.000 0.313 12 N N 0.029 118.730 118.700 0.001 0.000 2.365 12 N HA 0.005 4.745 4.740 0.000 0.000 0.257 12 N C -0.748 174.760 175.510 -0.004 0.000 1.287 12 N CA -0.434 52.616 53.050 -0.000 0.000 0.882 12 N CB 0.691 39.178 38.487 0.001 0.000 1.250 12 N HN -0.080 nan 8.380 nan 0.000 0.507 13 T N 0.381 114.930 114.554 -0.008 0.000 2.875 13 T HA 0.365 4.715 4.350 0.000 0.000 0.284 13 T C -0.306 174.374 174.700 -0.032 0.000 0.995 13 T CA 0.048 62.137 62.100 -0.018 0.000 1.060 13 T CB 1.507 70.365 68.868 -0.017 0.000 0.967 13 T HN 0.038 nan 8.240 nan 0.000 0.476 14 T N 2.571 117.100 114.554 -0.043 0.000 2.767 14 T HA 0.472 4.822 4.350 0.000 0.000 0.288 14 T C 1.175 175.790 174.700 -0.141 0.000 0.963 14 T CA -0.564 61.498 62.100 -0.063 0.000 1.019 14 T CB 1.073 69.919 68.868 -0.035 0.000 0.923 14 T HN 0.863 nan 8.240 nan 0.000 0.468 15 T N -0.409 114.004 114.554 -0.236 0.000 3.429 15 T HA 0.174 4.525 4.350 0.000 0.000 0.212 15 T C 0.367 174.703 174.700 -0.606 0.000 0.980 15 T CA -0.290 61.451 62.100 -0.597 0.000 1.201 15 T CB -0.161 68.181 68.868 -0.877 0.000 1.289 15 T HN 0.533 nan 8.240 nan 0.000 0.346 16 H N 3.517 122.408 119.070 -0.299 0.000 2.819 16 H HA 0.503 5.059 4.556 0.000 0.000 0.303 16 H C 0.359 175.677 175.328 -0.018 0.000 1.058 16 H CA 0.665 56.640 56.048 -0.121 0.000 1.471 16 H CB 0.509 30.240 29.762 -0.052 0.000 1.480 16 H HN 0.713 nan 8.280 nan 0.000 0.517 17 T N -0.157 114.497 114.554 0.167 0.000 2.907 17 T HA 0.313 4.663 4.350 0.000 0.000 0.290 17 T C 0.084 174.901 174.700 0.194 0.000 1.066 17 T CA -1.360 60.837 62.100 0.162 0.000 1.012 17 T CB 2.133 71.098 68.868 0.160 0.000 1.184 17 T HN 0.294 nan 8.240 nan 0.000 0.522 18 K N 0.656 121.131 120.400 0.124 0.000 2.430 18 K HA 0.185 4.505 4.320 0.000 0.000 0.280 18 K C -0.090 176.553 176.600 0.072 0.000 1.063 18 K CA -0.316 56.020 56.287 0.082 0.000 1.071 18 K CB -0.613 31.911 32.500 0.040 0.000 0.899 18 K HN 0.766 nan 8.250 nan 0.000 0.473 19 C N 6.545 125.882 119.300 0.062 0.000 2.482 19 C HA 0.236 4.696 4.460 0.000 0.000 0.378 19 C C 1.863 176.754 174.990 -0.166 0.000 1.284 19 C CA -0.568 58.434 59.018 -0.027 0.000 1.826 19 C CB -0.318 27.466 27.740 0.074 0.000 2.473 19 C HN 1.122 nan 8.230 nan 0.000 0.562 20 R N 3.151 123.470 120.500 -0.301 0.000 2.117 20 R HA -0.146 4.194 4.340 0.000 0.000 0.243 20 R C 2.389 178.432 176.300 -0.428 0.000 1.143 20 R CA 1.920 57.821 56.100 -0.332 0.000 0.968 20 R CB -0.260 29.826 30.300 -0.356 0.000 0.863 20 R HN 0.865 nan 8.270 nan 0.000 0.444 21 R N -0.014 120.103 120.500 -0.638 0.000 2.066 21 R HA -0.076 4.264 4.340 0.000 0.000 0.224 21 R C 2.232 178.373 176.300 -0.265 0.000 1.122 21 R CA 1.611 57.366 56.100 -0.574 0.000 0.974 21 R CB -0.118 29.665 30.300 -0.861 0.000 0.871 21 R HN 0.491 nan 8.270 nan 0.000 0.435 22 C N -1.946 117.256 119.300 -0.163 0.000 3.070 22 C HA 0.517 4.977 4.460 0.000 0.000 0.280 22 C C 1.465 176.423 174.990 -0.054 0.000 1.264 22 C CA 0.088 59.060 59.018 -0.077 0.000 1.690 22 C CB 0.087 27.815 27.740 -0.020 0.000 2.049 22 C HN 0.677 nan 8.230 nan 0.000 0.636 23 G N 0.841 109.603 108.800 -0.063 0.000 2.184 23 G HA2 -0.186 3.774 3.960 0.000 0.000 0.264 23 G HA3 -0.186 3.774 3.960 0.000 0.000 0.264 23 G C -0.194 174.704 174.900 -0.004 0.000 0.975 23 G CA 0.637 45.714 45.100 -0.038 0.000 0.642 23 G HN 0.655 nan 8.290 nan 0.000 0.536 24 E N 0.151 120.360 120.200 0.016 0.000 2.319 24 E HA 0.291 4.641 4.350 0.000 0.000 0.268 24 E C 0.510 177.150 176.600 0.067 0.000 1.050 24 E CA -0.627 55.795 56.400 0.037 0.000 0.878 24 E CB 1.023 30.750 29.700 0.044 0.000 1.066 24 E HN 0.357 nan 8.360 nan 0.000 0.406 25 K N 1.391 121.829 120.400 0.063 0.000 2.480 25 K HA 0.133 4.453 4.320 0.000 0.000 0.241 25 K C -0.371 176.300 176.600 0.118 0.000 1.261 25 K CA 0.154 56.496 56.287 0.091 0.000 1.193 25 K CB -0.243 32.295 32.500 0.064 0.000 1.598 25 K HN 0.156 nan 8.250 nan 0.000 0.278 26 S N 1.462 117.270 115.700 0.179 0.000 2.900 26 S HA 0.023 4.493 4.470 0.000 0.000 0.253 26 S C -0.945 173.903 174.600 0.412 0.000 1.029 26 S CA -0.499 57.837 58.200 0.226 0.000 1.096 26 S CB -0.035 63.247 63.200 0.137 0.000 1.067 26 S HN 0.519 nan 8.310 nan 0.000 0.610 27 Y N 3.422 123.858 120.300 0.226 0.000 2.486 27 Y HA 0.321 4.871 4.550 0.000 0.000 0.348 27 Y C 0.280 176.284 175.900 0.173 0.000 1.000 27 Y CA -1.118 57.111 58.100 0.214 0.000 1.253 27 Y CB -0.190 38.378 38.460 0.180 0.000 1.140 27 Y HN 0.260 nan 8.280 nan 0.000 0.526 28 H N 4.356 123.277 119.070 -0.247 0.000 3.157 28 H HA 0.068 4.624 4.556 0.000 0.000 0.260 28 H C 1.440 176.468 175.328 -0.500 0.000 1.232 28 H CA 0.415 56.217 56.048 -0.410 0.000 1.488 28 H CB 0.739 30.262 29.762 -0.398 0.000 1.548 28 H HN 0.882 nan 8.280 nan 0.000 0.487 29 T N 3.431 117.827 114.554 -0.263 0.000 2.996 29 T HA -0.118 4.232 4.350 0.000 0.000 0.271 29 T C 1.655 176.323 174.700 -0.052 0.000 1.126 29 T CA 1.328 63.339 62.100 -0.149 0.000 1.103 29 T CB -0.064 68.783 68.868 -0.035 0.000 0.870 29 T HN 0.579 nan 8.240 nan 0.000 0.528 30 K N 0.188 120.655 120.400 0.113 0.000 2.242 30 K HA 0.153 4.473 4.320 0.000 0.000 0.200 30 K C 2.093 178.672 176.600 -0.034 0.000 1.050 30 K CA 0.579 56.914 56.287 0.081 0.000 0.981 30 K CB 0.125 32.720 32.500 0.159 0.000 0.795 30 K HN 0.333 nan 8.250 nan 0.000 0.477 31 K N 0.676 121.014 120.400 -0.104 0.000 2.323 31 K HA 0.068 4.388 4.320 0.000 0.000 0.197 31 K C -0.085 176.377 176.600 -0.230 0.000 1.043 31 K CA -0.014 56.120 56.287 -0.255 0.000 0.997 31 K CB 0.358 32.592 32.500 -0.443 0.000 0.807 31 K HN -0.163 nan 8.250 nan 0.000 0.497 32 K N 0.439 120.631 120.400 -0.347 0.000 3.117 32 K HA -0.131 4.189 4.320 0.000 0.000 0.269 32 K C -1.036 175.350 176.600 -0.357 0.000 1.098 32 K CA 0.423 56.424 56.287 -0.476 0.000 0.785 32 K CB -2.324 30.098 32.500 -0.129 0.000 1.242 32 K HN 0.057 nan 8.250 nan 0.000 0.491 33 V N -0.049 119.642 119.914 -0.372 0.000 2.808 33 V HA 0.251 4.371 4.120 0.000 0.000 0.308 33 V C -0.004 176.153 176.094 0.106 0.000 1.099 33 V CA -1.171 61.097 62.300 -0.052 0.000 0.920 33 V CB 2.542 34.340 31.823 -0.043 0.000 1.014 33 V HN 0.415 nan 8.190 nan 0.000 0.425 34 C N 3.819 123.316 119.300 0.329 0.000 2.325 34 C HA 0.384 4.844 4.460 0.000 0.000 0.347 34 C C 1.964 177.111 174.990 0.262 0.000 1.263 34 C CA 0.300 59.550 59.018 0.385 0.000 1.806 34 C CB 0.311 28.321 27.740 0.449 0.000 2.405 34 C HN 1.119 nan 8.230 nan 0.000 0.537 35 S N 3.376 119.231 115.700 0.258 0.000 2.555 35 S HA -0.077 4.393 4.470 0.000 0.000 0.230 35 S C 1.563 176.264 174.600 0.168 0.000 0.978 35 S CA 1.380 59.703 58.200 0.205 0.000 0.934 35 S CB -0.053 63.267 63.200 0.199 0.000 0.766 35 S HN 0.815 nan 8.310 nan 0.000 0.533 36 S N 0.496 116.293 115.700 0.162 0.000 2.438 36 S HA 0.029 4.499 4.470 0.000 0.000 0.220 36 S C 1.899 176.569 174.600 0.117 0.000 1.045 36 S CA 0.637 58.911 58.200 0.124 0.000 0.940 36 S CB -0.464 62.793 63.200 0.095 0.000 0.863 36 S HN 0.886 nan 8.310 nan 0.000 0.539 37 C N 0.576 119.955 119.300 0.132 0.000 2.906 37 C HA 0.686 5.146 4.460 0.000 0.000 0.274 37 C C 1.814 176.888 174.990 0.141 0.000 1.257 37 C CA 0.143 59.226 59.018 0.108 0.000 1.695 37 C CB -0.621 27.170 27.740 0.086 0.000 1.958 37 C HN 0.808 nan 8.230 nan 0.000 0.619 38 G N 0.456 109.365 108.800 0.182 0.000 2.184 38 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 38 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 38 G C -0.106 174.916 174.900 0.204 0.000 0.975 38 G CA 0.278 45.479 45.100 0.169 0.000 0.642 38 G HN 0.842 nan 8.290 nan 0.000 0.536 39 F N 1.734 121.749 119.950 0.108 0.000 2.612 39 F HA 0.381 4.908 4.527 0.000 0.000 0.389 39 F C 1.521 177.427 175.800 0.177 0.000 1.055 39 F CA 1.464 59.530 58.000 0.109 0.000 1.232 39 F CB 0.375 39.422 39.000 0.078 0.000 1.044 39 F HN 1.171 nan 8.300 nan 0.000 0.560 40 G N 4.515 113.021 108.800 -0.489 0.000 2.213 40 G HA2 -0.315 3.645 3.960 0.000 0.000 0.226 40 G HA3 -0.315 3.645 3.960 0.000 0.000 0.226 40 G C 0.996 175.809 174.900 -0.144 0.000 0.992 40 G CA 0.403 45.269 45.100 -0.391 0.000 0.632 40 G HN 0.795 nan 8.290 nan 0.000 0.511 41 K N -0.272 120.094 120.400 -0.057 0.000 2.412 41 K HA 0.453 4.773 4.320 0.000 0.000 0.201 41 K C 0.736 177.339 176.600 0.005 0.000 1.275 41 K CA 0.965 57.245 56.287 -0.013 0.000 0.910 41 K CB 0.550 33.066 32.500 0.026 0.000 1.346 41 K HN 0.391 nan 8.250 nan 0.000 0.490 42 S N -0.638 115.079 115.700 0.030 0.000 2.500 42 S HA 0.578 5.048 4.470 0.000 0.000 0.301 42 S C 0.281 174.915 174.600 0.057 0.000 1.092 42 S CA -0.319 57.903 58.200 0.037 0.000 1.030 42 S CB 1.814 65.036 63.200 0.037 0.000 1.031 42 S HN 0.329 nan 8.310 nan 0.000 0.483 43 A N 4.611 127.458 122.820 0.043 0.000 1.929 43 A HA 0.196 4.516 4.320 0.000 0.000 0.216 43 A C 0.900 178.514 177.584 0.050 0.000 1.176 43 A CA 0.878 52.950 52.037 0.058 0.000 0.628 43 A CB -0.286 18.737 19.000 0.037 0.000 0.816 43 A HN 0.766 nan 8.150 nan 0.000 0.444 44 K N 0.450 120.865 120.400 0.024 0.000 2.168 44 K HA 0.285 4.605 4.320 0.000 0.000 0.258 44 K C -0.214 176.388 176.600 0.003 0.000 1.010 44 K CA -0.614 55.673 56.287 0.002 0.000 0.929 44 K CB 0.488 32.975 32.500 -0.022 0.000 0.998 44 K HN 0.137 nan 8.250 nan 0.000 0.479 45 R N 2.240 122.729 120.500 -0.019 0.000 2.389 45 R HA 0.069 4.409 4.340 0.000 0.000 0.295 45 R C 0.191 176.447 176.300 -0.075 0.000 1.075 45 R CA -0.190 55.896 56.100 -0.023 0.000 1.005 45 R CB 0.642 30.922 30.300 -0.034 0.000 0.987 45 R HN 0.588 nan 8.270 nan 0.000 0.452 46 R N 1.983 122.453 120.500 -0.052 0.000 2.484 46 R HA -0.049 4.291 4.340 0.000 0.000 0.293 46 R C -0.874 175.293 176.300 -0.222 0.000 1.023 46 R CA 0.632 56.660 56.100 -0.120 0.000 1.037 46 R CB 0.273 30.590 30.300 0.029 0.000 0.951 46 R HN 0.629 nan 8.270 nan 0.000 0.418 47 D N 2.942 123.038 120.400 -0.505 0.000 2.787 47 D HA 0.255 4.895 4.640 0.000 0.000 0.215 47 D C -1.974 173.793 176.300 -0.887 0.000 1.246 47 D CA -0.374 53.334 54.000 -0.487 0.000 0.798 47 D CB 0.704 41.325 40.800 -0.298 0.000 1.649 47 D HN 0.413 nan 8.370 nan 0.000 0.507 48 Y N 1.121 121.131 120.300 -0.483 0.000 2.512 48 Y HA 0.314 4.864 4.550 0.000 0.000 0.348 48 Y C 1.113 176.655 175.900 -0.597 0.000 0.990 48 Y CA -0.841 56.843 58.100 -0.693 0.000 1.033 48 Y CB 2.121 39.660 38.460 -1.535 0.000 1.259 48 Y HN 0.281 nan 8.280 nan 0.000 0.461 49 E N 1.827 121.893 120.200 -0.222 0.000 2.268 49 E HA -0.133 4.217 4.350 0.000 0.000 0.195 49 E C 1.457 178.054 176.600 -0.004 0.000 0.995 49 E CA 0.920 57.271 56.400 -0.082 0.000 0.836 49 E CB -0.052 29.659 29.700 0.019 0.000 0.763 49 E HN 0.830 nan 8.360 nan 0.000 0.491 50 W N 0.739 122.105 121.300 0.111 0.000 3.204 50 W HA 0.078 4.739 4.660 0.000 0.000 0.249 50 W C 0.542 177.098 176.519 0.061 0.000 1.322 50 W CA -0.118 57.267 57.345 0.066 0.000 1.593 50 W CB -0.529 28.954 29.460 0.037 0.000 1.122 50 W HN 0.030 nan 8.180 nan 0.000 0.710 51 Q N 1.723 121.507 119.800 -0.027 0.000 2.415 51 Q HA 0.013 4.353 4.340 0.000 0.000 0.206 51 Q C 0.634 176.670 176.000 0.060 0.000 0.946 51 Q CA 0.613 56.421 55.803 0.009 0.000 0.951 51 Q CB 0.215 28.856 28.738 -0.161 0.000 1.026 51 Q HN 0.239 nan 8.270 nan 0.000 0.510 52 S N -1.458 114.289 115.700 0.079 0.000 2.588 52 S HA 0.401 4.871 4.470 0.000 0.000 0.269 52 S C -1.014 173.633 174.600 0.079 0.000 1.157 52 S CA -1.250 56.987 58.200 0.062 0.000 0.824 52 S CB 1.512 64.727 63.200 0.026 0.000 1.126 52 S HN -0.181 nan 8.310 nan 0.000 0.464 53 K N 0.988 121.425 120.400 0.061 0.000 2.485 53 K HA 0.314 4.634 4.320 0.000 0.000 0.277 53 K C 1.634 178.267 176.600 0.054 0.000 0.990 53 K CA 0.486 56.808 56.287 0.057 0.000 0.994 53 K CB 0.387 32.911 32.500 0.041 0.000 0.906 53 K HN 0.866 nan 8.250 nan 0.000 0.488 54 A N 2.698 125.553 122.820 0.058 0.000 2.032 54 A HA -0.133 4.187 4.320 0.000 0.000 0.221 54 A C 1.399 179.005 177.584 0.037 0.000 1.165 54 A CA 2.100 54.169 52.037 0.053 0.000 0.645 54 A CB -0.354 18.677 19.000 0.052 0.000 0.807 54 A HN 0.700 nan 8.150 nan 0.000 0.453 55 G N -0.875 107.943 108.800 0.030 0.000 4.486 55 G HA2 0.492 4.452 3.960 0.000 0.000 0.306 55 G HA3 0.492 4.452 3.960 0.000 0.000 0.306 55 G C -0.214 174.697 174.900 0.018 0.000 1.331 55 G CA 0.439 45.552 45.100 0.022 0.000 1.113 55 G HN 0.547 nan 8.290 nan 0.000 0.594 56 E N 0.000 120.211 120.200 0.019 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.408 56.400 0.013 0.000 0.000 56 E CB 0.000 29.710 29.700 0.016 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000