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 3cxc_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 0.000 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 0.001 0.000 0.612 2 G N 0.762 109.562 108.800 0.001 0.000 2.441 2 G HA2 0.488 4.448 3.960 0.000 0.000 0.243 2 G HA3 0.488 4.448 3.960 0.000 0.000 0.243 2 G C 0.983 175.884 174.900 0.001 0.000 1.281 2 G CA -0.069 45.031 45.100 0.000 0.000 0.854 2 G HN 1.020 nan 8.290 nan 0.000 0.560 3 A N 1.897 124.718 122.820 0.001 0.000 2.238 3 A HA 0.395 4.715 4.320 0.000 0.000 0.208 3 A C 1.759 179.344 177.584 0.001 0.000 1.177 3 A CA 1.252 53.289 52.037 0.001 0.000 0.804 3 A CB -0.211 18.789 19.000 0.000 0.000 0.823 3 A HN 0.882 nan 8.150 nan 0.000 0.482 4 G N -0.975 107.825 108.800 0.001 0.000 3.372 4 G HA2 0.248 4.208 3.960 0.000 0.000 0.178 4 G HA3 0.248 4.208 3.960 0.000 0.000 0.178 4 G C 1.202 176.103 174.900 0.002 0.000 1.817 4 G CA 0.902 46.003 45.100 0.001 0.000 0.996 4 G HN 0.191 nan 8.290 nan 0.000 0.559 5 T N 2.892 117.447 114.554 0.001 0.000 2.536 5 T HA -0.148 4.202 4.350 0.000 0.000 0.263 5 T C 0.093 174.795 174.700 0.002 0.000 1.115 5 T CA 2.436 64.537 62.100 0.002 0.000 1.180 5 T CB -1.287 67.582 68.868 0.001 0.000 0.864 5 T HN 0.379 nan 8.240 nan 0.000 0.419 6 P HA -0.064 nan 4.420 nan 0.000 0.218 6 P C 1.223 178.525 177.300 0.002 0.000 1.146 6 P CA 1.308 64.409 63.100 0.002 0.000 0.820 6 P CB -0.160 31.541 31.700 0.001 0.000 0.778 7 S N -0.889 114.813 115.700 0.002 0.000 2.593 7 S HA 0.025 4.495 4.470 0.000 0.000 0.217 7 S C 1.760 176.362 174.600 0.004 0.000 0.966 7 S CA 0.273 58.475 58.200 0.003 0.000 0.914 7 S CB -0.302 62.900 63.200 0.003 0.000 0.776 7 S HN 0.154 nan 8.310 nan 0.000 0.523 8 Q N 0.761 120.563 119.800 0.004 0.000 2.311 8 Q HA 0.126 4.466 4.340 0.000 0.000 0.203 8 Q C 2.177 178.180 176.000 0.004 0.000 0.954 8 Q CA 0.769 56.575 55.803 0.004 0.000 0.885 8 Q CB -0.821 27.920 28.738 0.004 0.000 0.963 8 Q HN 0.573 nan 8.270 nan 0.000 0.471 9 G N 1.063 109.865 108.800 0.004 0.000 2.471 9 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 9 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 9 G C 1.284 176.187 174.900 0.004 0.000 1.125 9 G CA 0.317 45.419 45.100 0.004 0.000 0.775 9 G HN 0.299 nan 8.290 nan 0.000 0.548 10 K N 0.244 120.647 120.400 0.004 0.000 2.444 10 K HA 0.098 4.418 4.320 0.000 0.000 0.193 10 K C 0.576 177.179 176.600 0.005 0.000 1.024 10 K CA 0.049 56.339 56.287 0.004 0.000 1.077 10 K CB 0.294 32.797 32.500 0.004 0.000 0.833 10 K HN 0.157 nan 8.250 nan 0.000 0.517 11 K N 2.841 123.244 120.400 0.006 0.000 2.737 11 K HA 0.018 4.338 4.320 0.000 0.000 0.251 11 K C 0.066 176.669 176.600 0.005 0.000 1.280 11 K CA -0.078 56.212 56.287 0.006 0.000 1.219 11 K CB -0.293 32.212 32.500 0.007 0.000 1.587 11 K HN 0.166 nan 8.250 nan 0.000 0.279 12 N N 0.173 118.875 118.700 0.005 0.000 2.538 12 N HA 0.017 4.757 4.740 0.000 0.000 0.291 12 N C -0.797 174.715 175.510 0.003 0.000 1.323 12 N CA -0.382 52.670 53.050 0.004 0.000 0.934 12 N CB 0.616 39.106 38.487 0.005 0.000 1.255 12 N HN -0.127 nan 8.380 nan 0.000 0.509 13 T N -0.253 114.301 114.554 0.001 0.000 2.925 13 T HA 0.404 4.754 4.350 0.000 0.000 0.285 13 T C -0.242 174.451 174.700 -0.013 0.000 1.021 13 T CA -0.123 61.975 62.100 -0.004 0.000 1.042 13 T CB 1.720 70.586 68.868 -0.003 0.000 1.037 13 T HN 0.055 nan 8.240 nan 0.000 0.481 14 T N 1.755 116.298 114.554 -0.019 0.000 2.824 14 T HA 0.571 4.921 4.350 0.000 0.000 0.280 14 T C 0.976 175.625 174.700 -0.086 0.000 0.995 14 T CA -0.517 61.563 62.100 -0.033 0.000 1.009 14 T CB 1.308 70.170 68.868 -0.011 0.000 0.955 14 T HN 0.886 nan 8.240 nan 0.000 0.452 15 T N -0.751 113.701 114.554 -0.169 0.000 3.464 15 T HA 0.182 4.533 4.350 0.000 0.000 0.222 15 T C 0.210 174.595 174.700 -0.524 0.000 0.982 15 T CA -0.294 61.535 62.100 -0.452 0.000 1.132 15 T CB -0.144 68.298 68.868 -0.710 0.000 1.226 15 T HN 0.532 nan 8.240 nan 0.000 0.346 16 H N 3.459 122.375 119.070 -0.257 0.000 2.819 16 H HA 0.543 5.099 4.556 0.000 0.000 0.303 16 H C 0.232 175.558 175.328 -0.003 0.000 1.058 16 H CA 0.740 56.718 56.048 -0.117 0.000 1.471 16 H CB 0.733 30.445 29.762 -0.085 0.000 1.480 16 H HN 0.725 nan 8.280 nan 0.000 0.517 17 T N -0.117 114.540 114.554 0.173 0.000 2.916 17 T HA 0.294 4.644 4.350 0.000 0.000 0.292 17 T C 0.026 174.851 174.700 0.208 0.000 1.064 17 T CA -1.356 60.850 62.100 0.176 0.000 1.011 17 T CB 2.263 71.241 68.868 0.183 0.000 1.152 17 T HN 0.294 nan 8.240 nan 0.000 0.510 18 K N 0.824 121.300 120.400 0.128 0.000 2.473 18 K HA 0.101 4.421 4.320 0.000 0.000 0.277 18 K C -0.059 176.580 176.600 0.065 0.000 1.052 18 K CA -0.171 56.164 56.287 0.080 0.000 1.114 18 K CB -0.691 31.832 32.500 0.039 0.000 0.869 18 K HN 0.779 nan 8.250 nan 0.000 0.481 19 C N 6.740 126.074 119.300 0.057 0.000 2.482 19 C HA 0.250 4.710 4.460 0.000 0.000 0.378 19 C C 1.803 176.692 174.990 -0.169 0.000 1.284 19 C CA -0.606 58.397 59.018 -0.027 0.000 1.826 19 C CB -0.328 27.474 27.740 0.104 0.000 2.473 19 C HN 1.107 nan 8.230 nan 0.000 0.562 20 R N 3.530 123.841 120.500 -0.315 0.000 2.159 20 R HA -0.116 4.224 4.340 0.000 0.000 0.237 20 R C 2.258 178.304 176.300 -0.424 0.000 1.131 20 R CA 1.632 57.535 56.100 -0.327 0.000 0.982 20 R CB -0.265 29.836 30.300 -0.331 0.000 0.868 20 R HN 0.873 nan 8.270 nan 0.000 0.453 21 R N -0.084 120.065 120.500 -0.585 0.000 2.087 21 R HA -0.060 4.280 4.340 0.000 0.000 0.216 21 R C 2.334 178.483 176.300 -0.252 0.000 1.114 21 R CA 1.447 57.208 56.100 -0.565 0.000 1.002 21 R CB -0.183 29.588 30.300 -0.880 0.000 0.903 21 R HN 0.448 nan 8.270 nan 0.000 0.445 22 C N -1.841 117.375 119.300 -0.139 0.000 2.865 22 C HA 0.508 4.969 4.460 0.000 0.000 0.280 22 C C 1.561 176.524 174.990 -0.045 0.000 1.255 22 C CA 0.239 59.221 59.018 -0.060 0.000 1.705 22 C CB 0.210 27.952 27.740 0.002 0.000 2.080 22 C HN 0.698 nan 8.230 nan 0.000 0.591 23 G N 0.579 109.347 108.800 -0.053 0.000 2.199 23 G HA2 -0.170 3.790 3.960 0.000 0.000 0.254 23 G HA3 -0.170 3.790 3.960 0.000 0.000 0.254 23 G C -0.148 174.753 174.900 0.001 0.000 0.982 23 G CA 0.476 45.556 45.100 -0.033 0.000 0.632 23 G HN 0.626 nan 8.290 nan 0.000 0.529 24 E N 0.235 120.449 120.200 0.023 0.000 2.345 24 E HA 0.314 4.664 4.350 0.000 0.000 0.259 24 E C 0.459 177.103 176.600 0.073 0.000 1.117 24 E CA -0.487 55.939 56.400 0.044 0.000 0.913 24 E CB 0.830 30.562 29.700 0.053 0.000 1.057 24 E HN 0.349 nan 8.360 nan 0.000 0.432 25 K N 1.134 121.577 120.400 0.072 0.000 2.758 25 K HA 0.177 4.497 4.320 0.000 0.000 0.250 25 K C -0.298 176.385 176.600 0.139 0.000 1.268 25 K CA 0.096 56.445 56.287 0.103 0.000 1.228 25 K CB -0.165 32.378 32.500 0.072 0.000 1.715 25 K HN 0.143 nan 8.250 nan 0.000 0.334 26 S N 1.065 116.884 115.700 0.199 0.000 2.780 26 S HA 0.034 4.504 4.470 0.000 0.000 0.248 26 S C -0.817 174.040 174.600 0.428 0.000 1.036 26 S CA -0.469 57.886 58.200 0.258 0.000 1.061 26 S CB -0.009 63.288 63.200 0.162 0.000 1.037 26 S HN 0.505 nan 8.310 nan 0.000 0.584 27 Y N 3.539 123.969 120.300 0.216 0.000 2.584 27 Y HA 0.252 4.802 4.550 0.000 0.000 0.351 27 Y C 0.388 176.358 175.900 0.118 0.000 1.030 27 Y CA -1.007 57.207 58.100 0.189 0.000 1.332 27 Y CB -0.382 38.178 38.460 0.167 0.000 1.148 27 Y HN 0.254 nan 8.280 nan 0.000 0.528 28 H N 4.381 123.266 119.070 -0.308 0.000 3.232 28 H HA 0.020 4.576 4.556 0.000 0.000 0.254 28 H C 1.511 176.526 175.328 -0.522 0.000 1.213 28 H CA 0.446 56.209 56.048 -0.475 0.000 1.503 28 H CB 0.740 30.248 29.762 -0.424 0.000 1.563 28 H HN 0.888 nan 8.280 nan 0.000 0.490 29 T N 3.397 117.841 114.554 -0.183 0.000 2.946 29 T HA -0.126 4.224 4.350 0.000 0.000 0.271 29 T C 1.705 176.380 174.700 -0.043 0.000 1.104 29 T CA 1.350 63.386 62.100 -0.106 0.000 1.114 29 T CB -0.023 68.848 68.868 0.005 0.000 0.867 29 T HN 0.582 nan 8.240 nan 0.000 0.513 30 K N 0.241 120.696 120.400 0.092 0.000 2.242 30 K HA 0.142 4.462 4.320 0.000 0.000 0.200 30 K C 2.116 178.613 176.600 -0.172 0.000 1.050 30 K CA 0.599 56.877 56.287 -0.013 0.000 0.981 30 K CB 0.111 32.629 32.500 0.030 0.000 0.795 30 K HN 0.352 nan 8.250 nan 0.000 0.477 31 K N 0.706 120.915 120.400 -0.318 0.000 2.323 31 K HA 0.064 4.384 4.320 0.000 0.000 0.197 31 K C -0.129 176.302 176.600 -0.282 0.000 1.043 31 K CA -0.024 56.048 56.287 -0.358 0.000 0.997 31 K CB 0.349 32.549 32.500 -0.501 0.000 0.807 31 K HN -0.158 nan 8.250 nan 0.000 0.497 32 K N 0.515 120.679 120.400 -0.393 0.000 3.150 32 K HA -0.131 4.189 4.320 0.000 0.000 0.267 32 K C -1.096 175.289 176.600 -0.357 0.000 1.028 32 K CA 0.426 56.426 56.287 -0.478 0.000 0.753 32 K CB -2.282 30.130 32.500 -0.147 0.000 1.288 32 K HN 0.064 nan 8.250 nan 0.000 0.473 33 V N -0.110 119.569 119.914 -0.393 0.000 2.817 33 V HA 0.175 4.295 4.120 0.000 0.000 0.303 33 V C -0.079 176.060 176.094 0.075 0.000 1.151 33 V CA -1.196 61.059 62.300 -0.075 0.000 0.929 33 V CB 2.442 34.229 31.823 -0.060 0.000 1.030 33 V HN 0.441 nan 8.190 nan 0.000 0.427 34 C N 4.030 123.507 119.300 0.296 0.000 2.394 34 C HA 0.373 4.833 4.460 0.000 0.000 0.362 34 C C 2.023 177.166 174.990 0.255 0.000 1.268 34 C CA 0.405 59.644 59.018 0.368 0.000 1.828 34 C CB 0.314 28.319 27.740 0.442 0.000 2.442 34 C HN 1.144 nan 8.230 nan 0.000 0.549 35 S N 3.470 119.323 115.700 0.255 0.000 2.515 35 S HA -0.076 4.394 4.470 0.000 0.000 0.231 35 S C 1.591 176.294 174.600 0.171 0.000 0.987 35 S CA 1.411 59.735 58.200 0.206 0.000 0.936 35 S CB -0.054 63.261 63.200 0.192 0.000 0.766 35 S HN 0.793 nan 8.310 nan 0.000 0.528 36 S N 0.474 116.276 115.700 0.170 0.000 2.438 36 S HA 0.044 4.514 4.470 0.000 0.000 0.220 36 S C 1.912 176.591 174.600 0.132 0.000 1.045 36 S CA 0.691 58.972 58.200 0.135 0.000 0.940 36 S CB -0.389 62.876 63.200 0.109 0.000 0.863 36 S HN 0.897 nan 8.310 nan 0.000 0.539 37 C N 0.234 119.624 119.300 0.150 0.000 2.926 37 C HA 0.676 5.136 4.460 0.000 0.000 0.272 37 C C 1.769 176.857 174.990 0.163 0.000 1.249 37 C CA 0.047 59.144 59.018 0.131 0.000 1.691 37 C CB -0.499 27.311 27.740 0.118 0.000 1.983 37 C HN 0.715 nan 8.230 nan 0.000 0.615 38 G N 0.616 109.533 108.800 0.195 0.000 2.162 38 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 38 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 38 G C -0.138 174.876 174.900 0.190 0.000 0.976 38 G CA 0.304 45.508 45.100 0.174 0.000 0.655 38 G HN 0.848 nan 8.290 nan 0.000 0.533 39 F N 1.470 121.490 119.950 0.117 0.000 2.602 39 F HA 0.398 4.925 4.527 0.000 0.000 0.385 39 F C 1.453 177.360 175.800 0.178 0.000 1.063 39 F CA 1.136 59.205 58.000 0.115 0.000 1.233 39 F CB 0.451 39.505 39.000 0.089 0.000 1.067 39 F HN 1.146 nan 8.300 nan 0.000 0.564 40 G N 4.484 112.914 108.800 -0.615 0.000 2.179 40 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 40 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 40 G C 0.855 175.647 174.900 -0.179 0.000 0.990 40 G CA 0.406 45.227 45.100 -0.465 0.000 0.646 40 G HN 0.830 nan 8.290 nan 0.000 0.517 41 K N -0.692 119.656 120.400 -0.086 0.000 2.485 41 K HA 0.457 4.777 4.320 0.000 0.000 0.200 41 K C 0.646 177.245 176.600 -0.003 0.000 1.344 41 K CA 0.869 57.141 56.287 -0.026 0.000 0.948 41 K CB 0.565 33.076 32.500 0.018 0.000 1.454 41 K HN 0.341 nan 8.250 nan 0.000 0.502 42 S N -0.656 115.058 115.700 0.024 0.000 2.513 42 S HA 0.601 5.071 4.470 0.000 0.000 0.299 42 S C 0.261 174.897 174.600 0.059 0.000 1.087 42 S CA -0.261 57.960 58.200 0.035 0.000 1.012 42 S CB 1.818 65.040 63.200 0.037 0.000 1.044 42 S HN 0.343 nan 8.310 nan 0.000 0.485 43 A N 4.281 127.129 122.820 0.047 0.000 1.897 43 A HA 0.184 4.504 4.320 0.000 0.000 0.215 43 A C 0.752 178.371 177.584 0.057 0.000 1.181 43 A CA 0.932 53.007 52.037 0.063 0.000 0.620 43 A CB -0.343 18.682 19.000 0.041 0.000 0.821 43 A HN 0.766 nan 8.150 nan 0.000 0.443 44 K N 0.775 121.192 120.400 0.029 0.000 2.237 44 K HA 0.275 4.595 4.320 0.000 0.000 0.270 44 K C -0.212 176.395 176.600 0.012 0.000 1.015 44 K CA -0.609 55.683 56.287 0.007 0.000 0.949 44 K CB 0.539 33.028 32.500 -0.019 0.000 0.976 44 K HN 0.142 nan 8.250 nan 0.000 0.472 45 R N 2.399 122.899 120.500 -0.001 0.000 2.537 45 R HA 0.018 4.358 4.340 0.000 0.000 0.280 45 R C 0.281 176.555 176.300 -0.042 0.000 1.058 45 R CA 0.004 56.104 56.100 0.000 0.000 1.057 45 R CB 0.339 30.631 30.300 -0.013 0.000 0.973 45 R HN 0.604 nan 8.270 nan 0.000 0.438 46 R N 2.025 122.518 120.500 -0.012 0.000 2.484 46 R HA -0.056 4.284 4.340 0.000 0.000 0.293 46 R C -0.822 175.395 176.300 -0.139 0.000 1.023 46 R CA 0.633 56.701 56.100 -0.054 0.000 1.037 46 R CB 0.269 30.622 30.300 0.090 0.000 0.951 46 R HN 0.629 nan 8.270 nan 0.000 0.418 47 D N 2.889 123.060 120.400 -0.381 0.000 2.769 47 D HA 0.273 4.913 4.640 0.000 0.000 0.219 47 D C -1.966 173.889 176.300 -0.742 0.000 1.245 47 D CA -0.369 53.404 54.000 -0.378 0.000 0.801 47 D CB 0.731 41.382 40.800 -0.249 0.000 1.598 47 D HN 0.395 nan 8.370 nan 0.000 0.485 48 Y N 0.919 120.946 120.300 -0.455 0.000 2.553 48 Y HA 0.327 4.877 4.550 0.000 0.000 0.347 48 Y C 1.012 176.562 175.900 -0.584 0.000 1.019 48 Y CA -0.840 56.882 58.100 -0.630 0.000 1.032 48 Y CB 2.011 39.678 38.460 -1.320 0.000 1.284 48 Y HN 0.272 nan 8.280 nan 0.000 0.466 49 E N 1.488 121.559 120.200 -0.216 0.000 2.347 49 E HA -0.095 4.255 4.350 0.000 0.000 0.196 49 E C 1.334 177.928 176.600 -0.010 0.000 1.008 49 E CA 0.683 57.031 56.400 -0.086 0.000 0.852 49 E CB -0.036 29.676 29.700 0.019 0.000 0.783 49 E HN 0.813 nan 8.360 nan 0.000 0.505 50 W N 0.564 121.929 121.300 0.109 0.000 3.292 50 W HA 0.136 4.796 4.660 0.000 0.000 0.263 50 W C 0.453 177.005 176.519 0.055 0.000 1.318 50 W CA -0.190 57.193 57.345 0.063 0.000 1.663 50 W CB -0.432 29.051 29.460 0.038 0.000 1.114 50 W HN 0.009 nan 8.180 nan 0.000 0.706 51 Q N 1.893 121.638 119.800 -0.092 0.000 2.415 51 Q HA 0.029 4.369 4.340 0.000 0.000 0.206 51 Q C 0.575 176.599 176.000 0.040 0.000 0.946 51 Q CA 0.560 56.338 55.803 -0.042 0.000 0.951 51 Q CB 0.208 28.808 28.738 -0.230 0.000 1.026 51 Q HN 0.220 nan 8.270 nan 0.000 0.510 52 S N -1.191 114.549 115.700 0.067 0.000 2.588 52 S HA 0.395 4.865 4.470 0.000 0.000 0.269 52 S C -0.935 173.710 174.600 0.075 0.000 1.157 52 S CA -1.242 56.991 58.200 0.056 0.000 0.824 52 S CB 1.607 64.818 63.200 0.018 0.000 1.126 52 S HN -0.166 nan 8.310 nan 0.000 0.464 53 K N 1.087 121.522 120.400 0.058 0.000 2.485 53 K HA 0.273 4.593 4.320 0.000 0.000 0.277 53 K C 1.671 178.302 176.600 0.052 0.000 0.990 53 K CA 0.541 56.861 56.287 0.055 0.000 0.994 53 K CB 0.316 32.839 32.500 0.039 0.000 0.906 53 K HN 0.861 nan 8.250 nan 0.000 0.488 54 A N 3.000 125.854 122.820 0.057 0.000 1.948 54 A HA -0.142 4.178 4.320 0.000 0.000 0.220 54 A C 1.497 179.102 177.584 0.035 0.000 1.177 54 A CA 2.139 54.207 52.037 0.052 0.000 0.636 54 A CB -0.453 18.578 19.000 0.051 0.000 0.815 54 A HN 0.718 nan 8.150 nan 0.000 0.449 55 G N -0.850 107.967 108.800 0.029 0.000 4.084 55 G HA2 0.477 4.437 3.960 0.000 0.000 0.293 55 G HA3 0.477 4.437 3.960 0.000 0.000 0.293 55 G C -0.120 174.790 174.900 0.018 0.000 1.303 55 G CA 0.491 45.604 45.100 0.021 0.000 1.289 55 G HN 0.595 nan 8.290 nan 0.000 0.609 56 E N 0.000 120.211 120.200 0.018 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 29.709 29.700 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000