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 1vqk_1_1 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 0.000 174.701 174.700 0.001 0.000 1.109 1 T CA 0.000 62.101 62.100 0.001 0.000 1.349 1 T CB 0.000 68.869 68.868 0.001 0.000 0.612 2 G N 0.795 109.596 108.800 0.001 0.000 2.491 2 G HA2 0.478 4.438 3.960 0.000 0.000 0.242 2 G HA3 0.478 4.438 3.960 0.000 0.000 0.242 2 G C 1.091 175.992 174.900 0.002 0.000 1.266 2 G CA -0.093 45.008 45.100 0.001 0.000 0.844 2 G HN 1.034 nan 8.290 nan 0.000 0.571 3 A N 1.834 124.655 122.820 0.002 0.000 2.168 3 A HA 0.277 4.597 4.320 0.000 0.000 0.215 3 A C 1.893 179.478 177.584 0.003 0.000 1.152 3 A CA 1.561 53.599 52.037 0.002 0.000 0.716 3 A CB -0.406 18.595 19.000 0.002 0.000 0.794 3 A HN 0.917 nan 8.150 nan 0.000 0.465 4 G N -1.117 107.685 108.800 0.002 0.000 3.152 4 G HA2 0.214 4.174 3.960 0.000 0.000 0.157 4 G HA3 0.214 4.174 3.960 0.000 0.000 0.157 4 G C 1.210 176.112 174.900 0.003 0.000 1.786 4 G CA 0.875 45.977 45.100 0.003 0.000 1.055 4 G HN 0.214 nan 8.290 nan 0.000 0.528 5 T N 2.645 117.201 114.554 0.003 0.000 2.653 5 T HA -0.125 4.225 4.350 0.000 0.000 0.268 5 T C 0.123 174.825 174.700 0.003 0.000 1.035 5 T CA 2.112 64.214 62.100 0.003 0.000 1.154 5 T CB -1.106 67.763 68.868 0.003 0.000 0.862 5 T HN 0.370 nan 8.240 nan 0.000 0.441 6 P HA 0.018 nan 4.420 nan 0.000 0.218 6 P C 1.413 178.715 177.300 0.003 0.000 1.148 6 P CA 1.072 64.174 63.100 0.003 0.000 0.822 6 P CB -0.112 31.589 31.700 0.002 0.000 0.784 7 S N -0.466 115.236 115.700 0.004 0.000 2.522 7 S HA -0.030 4.440 4.470 0.000 0.000 0.227 7 S C 1.804 176.407 174.600 0.005 0.000 0.986 7 S CA 0.574 58.776 58.200 0.004 0.000 0.929 7 S CB -0.406 62.796 63.200 0.004 0.000 0.769 7 S HN 0.188 nan 8.310 nan 0.000 0.529 8 Q N 0.519 120.322 119.800 0.006 0.000 2.311 8 Q HA 0.117 4.457 4.340 0.000 0.000 0.203 8 Q C 2.189 178.193 176.000 0.006 0.000 0.954 8 Q CA 0.839 56.646 55.803 0.007 0.000 0.885 8 Q CB -0.897 27.845 28.738 0.006 0.000 0.963 8 Q HN 0.563 nan 8.270 nan 0.000 0.471 9 G N 1.176 109.979 108.800 0.005 0.000 2.509 9 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 9 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 9 G C 1.350 176.252 174.900 0.004 0.000 1.124 9 G CA 0.218 45.320 45.100 0.004 0.000 0.776 9 G HN 0.273 nan 8.290 nan 0.000 0.547 10 K N 0.212 120.615 120.400 0.005 0.000 2.487 10 K HA 0.063 4.383 4.320 0.000 0.000 0.192 10 K C 0.342 176.945 176.600 0.005 0.000 1.027 10 K CA 0.146 56.436 56.287 0.004 0.000 1.054 10 K CB 0.213 32.716 32.500 0.004 0.000 0.824 10 K HN 0.189 nan 8.250 nan 0.000 0.510 11 K N 2.815 123.218 120.400 0.006 0.000 2.127 11 K HA 0.038 4.358 4.320 0.000 0.000 0.261 11 K C 0.106 176.709 176.600 0.005 0.000 1.129 11 K CA -0.103 56.188 56.287 0.007 0.000 0.993 11 K CB 0.065 32.571 32.500 0.010 0.000 1.410 11 K HN 0.140 nan 8.250 nan 0.000 0.380 12 N N 0.292 118.993 118.700 0.002 0.000 2.305 12 N HA 0.001 4.741 4.740 0.000 0.000 0.248 12 N C -0.681 174.826 175.510 -0.004 0.000 1.290 12 N CA -0.451 52.599 53.050 0.000 0.000 0.873 12 N CB 0.609 39.097 38.487 0.001 0.000 1.261 12 N HN -0.007 nan 8.380 nan 0.000 0.504 13 T N 0.413 114.963 114.554 -0.008 0.000 2.909 13 T HA 0.361 4.711 4.350 0.000 0.000 0.286 13 T C -0.219 174.461 174.700 -0.034 0.000 1.002 13 T CA 0.136 62.225 62.100 -0.019 0.000 1.074 13 T CB 1.432 70.289 68.868 -0.019 0.000 0.984 13 T HN 0.033 nan 8.240 nan 0.000 0.495 14 T N 2.424 116.949 114.554 -0.048 0.000 2.749 14 T HA 0.455 4.805 4.350 0.000 0.000 0.287 14 T C 1.199 175.806 174.700 -0.155 0.000 0.970 14 T CA -0.615 61.444 62.100 -0.069 0.000 0.980 14 T CB 1.050 69.893 68.868 -0.042 0.000 0.924 14 T HN 0.860 nan 8.240 nan 0.000 0.456 15 T N -0.339 114.064 114.554 -0.252 0.000 3.447 15 T HA 0.177 4.527 4.350 0.000 0.000 0.218 15 T C 0.455 174.766 174.700 -0.648 0.000 0.972 15 T CA -0.245 61.475 62.100 -0.634 0.000 1.264 15 T CB -0.183 68.158 68.868 -0.879 0.000 1.284 15 T HN 0.541 nan 8.240 nan 0.000 0.361 16 H N 3.408 122.310 119.070 -0.279 0.000 2.767 16 H HA 0.503 5.059 4.556 0.000 0.000 0.316 16 H C 0.316 175.637 175.328 -0.011 0.000 1.059 16 H CA 0.664 56.649 56.048 -0.104 0.000 1.461 16 H CB 0.587 30.334 29.762 -0.025 0.000 1.475 16 H HN 0.697 nan 8.280 nan 0.000 0.531 17 T N -0.218 114.435 114.554 0.165 0.000 2.887 17 T HA 0.313 4.663 4.350 0.000 0.000 0.292 17 T C 0.038 174.853 174.700 0.192 0.000 1.087 17 T CA -1.344 60.851 62.100 0.159 0.000 1.009 17 T CB 2.229 71.191 68.868 0.156 0.000 1.203 17 T HN 0.378 nan 8.240 nan 0.000 0.518 18 K N 0.356 120.827 120.400 0.120 0.000 2.472 18 K HA 0.215 4.535 4.320 0.000 0.000 0.280 18 K C -0.022 176.622 176.600 0.073 0.000 1.028 18 K CA -0.437 55.898 56.287 0.081 0.000 1.045 18 K CB -0.219 32.302 32.500 0.036 0.000 0.902 18 K HN 0.749 nan 8.250 nan 0.000 0.478 19 C N 5.604 124.942 119.300 0.063 0.000 2.514 19 C HA 0.246 4.706 4.460 0.000 0.000 0.392 19 C C 1.882 176.769 174.990 -0.173 0.000 1.294 19 C CA -0.580 58.428 59.018 -0.017 0.000 1.957 19 C CB 0.196 27.991 27.740 0.092 0.000 2.541 19 C HN 1.104 nan 8.230 nan 0.000 0.569 20 R N 2.475 122.781 120.500 -0.325 0.000 2.091 20 R HA -0.107 4.233 4.340 0.000 0.000 0.238 20 R C 2.468 178.489 176.300 -0.465 0.000 1.136 20 R CA 1.764 57.648 56.100 -0.359 0.000 0.959 20 R CB -0.246 29.834 30.300 -0.366 0.000 0.856 20 R HN 0.838 nan 8.270 nan 0.000 0.437 21 R N 0.063 120.118 120.500 -0.742 0.000 2.062 21 R HA -0.103 4.237 4.340 0.000 0.000 0.226 21 R C 2.343 178.471 176.300 -0.287 0.000 1.125 21 R CA 1.805 57.532 56.100 -0.623 0.000 0.966 21 R CB -0.163 29.609 30.300 -0.880 0.000 0.861 21 R HN 0.497 nan 8.270 nan 0.000 0.433 22 C N -2.547 116.641 119.300 -0.187 0.000 2.865 22 C HA 0.520 4.980 4.460 0.000 0.000 0.280 22 C C 1.552 176.505 174.990 -0.061 0.000 1.255 22 C CA 0.188 59.152 59.018 -0.090 0.000 1.705 22 C CB 0.275 27.995 27.740 -0.032 0.000 2.080 22 C HN 0.685 nan 8.230 nan 0.000 0.591 23 G N 0.605 109.367 108.800 -0.064 0.000 2.195 23 G HA2 -0.165 3.795 3.960 0.000 0.000 0.246 23 G HA3 -0.165 3.795 3.960 0.000 0.000 0.246 23 G C -0.235 174.664 174.900 -0.002 0.000 0.984 23 G CA 0.408 45.485 45.100 -0.037 0.000 0.633 23 G HN 0.605 nan 8.290 nan 0.000 0.525 24 E N 0.442 120.653 120.200 0.018 0.000 2.343 24 E HA 0.283 4.633 4.350 0.000 0.000 0.269 24 E C 0.509 177.152 176.600 0.071 0.000 1.047 24 E CA -0.542 55.882 56.400 0.040 0.000 0.874 24 E CB 1.049 30.776 29.700 0.046 0.000 1.033 24 E HN 0.377 nan 8.360 nan 0.000 0.409 25 K N 1.534 121.975 120.400 0.067 0.000 2.480 25 K HA 0.108 4.428 4.320 0.000 0.000 0.241 25 K C -0.338 176.340 176.600 0.129 0.000 1.261 25 K CA 0.161 56.505 56.287 0.096 0.000 1.193 25 K CB -0.287 32.254 32.500 0.069 0.000 1.598 25 K HN 0.187 nan 8.250 nan 0.000 0.278 26 S N 1.239 117.052 115.700 0.188 0.000 2.847 26 S HA 0.011 4.481 4.470 0.000 0.000 0.254 26 S C -0.779 174.068 174.600 0.412 0.000 1.039 26 S CA -0.495 57.849 58.200 0.242 0.000 1.113 26 S CB -0.007 63.280 63.200 0.146 0.000 1.092 26 S HN 0.512 nan 8.310 nan 0.000 0.620 27 Y N 3.596 124.033 120.300 0.228 0.000 2.539 27 Y HA 0.320 4.870 4.550 0.000 0.000 0.352 27 Y C 0.321 176.321 175.900 0.166 0.000 1.004 27 Y CA -1.022 57.208 58.100 0.216 0.000 1.278 27 Y CB -0.260 38.311 38.460 0.185 0.000 1.136 27 Y HN 0.238 nan 8.280 nan 0.000 0.528 28 H N 4.227 123.133 119.070 -0.274 0.000 3.160 28 H HA 0.045 4.601 4.556 0.000 0.000 0.257 28 H C 1.395 176.439 175.328 -0.475 0.000 1.140 28 H CA 0.633 56.430 56.048 -0.419 0.000 1.492 28 H CB 0.819 30.343 29.762 -0.396 0.000 1.529 28 H HN 0.846 nan 8.280 nan 0.000 0.490 29 T N 3.232 117.621 114.554 -0.275 0.000 3.077 29 T HA -0.072 4.278 4.350 0.000 0.000 0.269 29 T C 1.510 176.176 174.700 -0.056 0.000 1.146 29 T CA 1.311 63.336 62.100 -0.125 0.000 1.091 29 T CB -0.009 68.850 68.868 -0.014 0.000 0.892 29 T HN 0.623 nan 8.240 nan 0.000 0.533 30 K N -0.386 120.047 120.400 0.055 0.000 2.313 30 K HA 0.189 4.509 4.320 0.000 0.000 0.197 30 K C 2.104 178.717 176.600 0.021 0.000 1.061 30 K CA 0.407 56.743 56.287 0.083 0.000 0.980 30 K CB 0.340 32.924 32.500 0.140 0.000 0.888 30 K HN 0.199 nan 8.250 nan 0.000 0.502 31 K N 0.450 120.846 120.400 -0.007 0.000 2.323 31 K HA 0.097 4.417 4.320 0.000 0.000 0.197 31 K C -0.156 176.332 176.600 -0.188 0.000 1.043 31 K CA 0.104 56.286 56.287 -0.174 0.000 0.997 31 K CB 0.511 32.806 32.500 -0.342 0.000 0.807 31 K HN -0.173 nan 8.250 nan 0.000 0.497 32 K N 0.514 120.736 120.400 -0.297 0.000 3.125 32 K HA -0.129 4.191 4.320 0.000 0.000 0.268 32 K C -1.096 175.259 176.600 -0.407 0.000 1.078 32 K CA 0.423 56.439 56.287 -0.453 0.000 0.775 32 K CB -2.319 30.115 32.500 -0.110 0.000 1.253 32 K HN 0.054 nan 8.250 nan 0.000 0.486 33 V N 0.029 119.684 119.914 -0.432 0.000 2.686 33 V HA 0.233 4.353 4.120 0.000 0.000 0.306 33 V C 0.128 176.230 176.094 0.014 0.000 1.065 33 V CA -1.192 61.037 62.300 -0.118 0.000 0.894 33 V CB 2.441 34.227 31.823 -0.062 0.000 1.004 33 V HN 0.439 nan 8.190 nan 0.000 0.424 34 C N 4.008 123.472 119.300 0.273 0.000 2.394 34 C HA 0.380 4.840 4.460 0.000 0.000 0.362 34 C C 1.952 177.089 174.990 0.244 0.000 1.268 34 C CA 0.342 59.571 59.018 0.351 0.000 1.828 34 C CB 0.286 28.296 27.740 0.450 0.000 2.442 34 C HN 1.114 nan 8.230 nan 0.000 0.549 35 S N 3.272 119.116 115.700 0.240 0.000 2.522 35 S HA -0.079 4.391 4.470 0.000 0.000 0.227 35 S C 1.622 176.321 174.600 0.165 0.000 0.986 35 S CA 1.266 59.582 58.200 0.193 0.000 0.929 35 S CB -0.083 63.229 63.200 0.187 0.000 0.769 35 S HN 0.842 nan 8.310 nan 0.000 0.529 36 S N 0.605 116.401 115.700 0.160 0.000 2.444 36 S HA 0.011 4.481 4.470 0.000 0.000 0.223 36 S C 1.899 176.567 174.600 0.113 0.000 1.054 36 S CA 0.695 58.969 58.200 0.123 0.000 0.947 36 S CB -0.433 62.824 63.200 0.095 0.000 0.850 36 S HN 0.878 nan 8.310 nan 0.000 0.527 37 C N 0.194 119.571 119.300 0.129 0.000 3.038 37 C HA 0.708 5.168 4.460 0.000 0.000 0.279 37 C C 1.817 176.886 174.990 0.132 0.000 1.276 37 C CA 0.299 59.377 59.018 0.100 0.000 1.697 37 C CB -0.487 27.297 27.740 0.074 0.000 2.032 37 C HN 0.848 nan 8.230 nan 0.000 0.636 38 G N 0.491 109.399 108.800 0.180 0.000 2.176 38 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 38 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 38 G C -0.125 174.916 174.900 0.235 0.000 0.979 38 G CA 0.242 45.448 45.100 0.176 0.000 0.641 38 G HN 0.800 nan 8.290 nan 0.000 0.530 39 F N 1.796 121.818 119.950 0.120 0.000 2.612 39 F HA 0.387 4.914 4.527 0.000 0.000 0.389 39 F C 1.568 177.489 175.800 0.201 0.000 1.055 39 F CA 1.570 59.651 58.000 0.135 0.000 1.232 39 F CB 0.523 39.598 39.000 0.125 0.000 1.044 39 F HN 1.186 nan 8.300 nan 0.000 0.560 40 G N 4.448 113.056 108.800 -0.319 0.000 2.234 40 G HA2 -0.327 3.633 3.960 0.000 0.000 0.235 40 G HA3 -0.327 3.633 3.960 0.000 0.000 0.235 40 G C 1.085 175.921 174.900 -0.106 0.000 0.997 40 G CA 0.432 45.354 45.100 -0.298 0.000 0.623 40 G HN 0.755 nan 8.290 nan 0.000 0.514 41 K N 0.312 120.701 120.400 -0.018 0.000 2.325 41 K HA 0.390 4.710 4.320 0.000 0.000 0.203 41 K C 0.930 177.542 176.600 0.021 0.000 1.128 41 K CA 1.264 57.556 56.287 0.009 0.000 0.931 41 K CB 0.420 32.947 32.500 0.045 0.000 1.125 41 K HN 0.799 nan 8.250 nan 0.000 0.487 42 S N -1.263 114.465 115.700 0.047 0.000 2.546 42 S HA 0.573 5.043 4.470 0.000 0.000 0.274 42 S C 0.431 175.071 174.600 0.067 0.000 1.121 42 S CA -0.474 57.753 58.200 0.045 0.000 0.887 42 S CB 1.841 65.064 63.200 0.039 0.000 1.094 42 S HN 0.182 nan 8.310 nan 0.000 0.474 43 A N 2.295 125.146 122.820 0.051 0.000 1.930 43 A HA 0.122 4.442 4.320 0.000 0.000 0.217 43 A C 1.033 178.648 177.584 0.052 0.000 1.175 43 A CA 0.886 52.961 52.037 0.063 0.000 0.627 43 A CB -0.575 18.450 19.000 0.041 0.000 0.815 43 A HN 0.807 nan 8.150 nan 0.000 0.443 44 K N 0.337 120.752 120.400 0.026 0.000 2.219 44 K HA 0.219 4.539 4.320 0.000 0.000 0.258 44 K C -0.180 176.421 176.600 0.002 0.000 1.008 44 K CA -0.504 55.784 56.287 0.001 0.000 0.928 44 K CB 0.381 32.869 32.500 -0.021 0.000 0.983 44 K HN 0.146 nan 8.250 nan 0.000 0.484 45 R N 2.320 122.807 120.500 -0.023 0.000 2.389 45 R HA 0.067 4.407 4.340 0.000 0.000 0.295 45 R C 0.150 176.400 176.300 -0.083 0.000 1.075 45 R CA -0.195 55.887 56.100 -0.030 0.000 1.005 45 R CB 0.635 30.909 30.300 -0.042 0.000 0.987 45 R HN 0.573 nan 8.270 nan 0.000 0.452 46 R N 2.202 122.665 120.500 -0.061 0.000 2.480 46 R HA -0.063 4.277 4.340 0.000 0.000 0.303 46 R C -0.829 175.311 176.300 -0.267 0.000 0.985 46 R CA 0.822 56.841 56.100 -0.136 0.000 1.051 46 R CB 0.227 30.536 30.300 0.016 0.000 0.935 46 R HN 0.422 nan 8.270 nan 0.000 0.410 47 D N 2.580 122.624 120.400 -0.592 0.000 2.736 47 D HA 0.361 5.001 4.640 0.000 0.000 0.223 47 D C -1.700 173.926 176.300 -1.123 0.000 1.231 47 D CA -0.284 53.350 54.000 -0.609 0.000 0.818 47 D CB 1.150 41.727 40.800 -0.372 0.000 1.587 47 D HN 0.402 nan 8.370 nan 0.000 0.463 48 Y N 0.386 120.408 120.300 -0.463 0.000 2.519 48 Y HA 0.179 4.729 4.550 0.000 0.000 0.336 48 Y C 1.050 176.598 175.900 -0.587 0.000 1.089 48 Y CA -0.755 56.937 58.100 -0.680 0.000 1.025 48 Y CB 1.861 39.406 38.460 -1.525 0.000 1.318 48 Y HN 0.127 nan 8.280 nan 0.000 0.452 49 E N 1.971 122.057 120.200 -0.190 0.000 2.338 49 E HA -0.116 4.234 4.350 0.000 0.000 0.197 49 E C 1.475 178.085 176.600 0.016 0.000 1.007 49 E CA 0.933 57.294 56.400 -0.064 0.000 0.849 49 E CB -0.016 29.701 29.700 0.028 0.000 0.774 49 E HN 0.830 nan 8.360 nan 0.000 0.506 50 W N 0.404 121.768 121.300 0.107 0.000 3.077 50 W HA 0.073 4.733 4.660 0.000 0.000 0.245 50 W C 0.736 177.290 176.519 0.059 0.000 1.316 50 W CA -0.097 57.285 57.345 0.062 0.000 1.537 50 W CB -0.508 28.971 29.460 0.031 0.000 1.131 50 W HN 0.041 nan 8.180 nan 0.000 0.695 51 Q N 1.707 121.492 119.800 -0.026 0.000 2.482 51 Q HA -0.022 4.318 4.340 0.000 0.000 0.209 51 Q C 0.833 176.869 176.000 0.060 0.000 0.961 51 Q CA 0.875 56.682 55.803 0.007 0.000 0.945 51 Q CB 0.153 28.783 28.738 -0.180 0.000 1.012 51 Q HN 0.236 nan 8.270 nan 0.000 0.515 52 S N -1.323 114.420 115.700 0.071 0.000 2.638 52 S HA 0.431 4.901 4.470 0.000 0.000 0.274 52 S C -0.846 173.799 174.600 0.076 0.000 1.157 52 S CA -1.216 57.018 58.200 0.058 0.000 0.826 52 S CB 1.748 64.961 63.200 0.022 0.000 1.139 52 S HN -0.191 nan 8.310 nan 0.000 0.474 53 K N 0.906 121.341 120.400 0.057 0.000 2.436 53 K HA 0.327 4.647 4.320 0.000 0.000 0.275 53 K C 1.638 178.269 176.600 0.051 0.000 0.999 53 K CA 0.502 56.822 56.287 0.055 0.000 0.980 53 K CB 0.550 33.073 32.500 0.039 0.000 0.919 53 K HN 0.817 nan 8.250 nan 0.000 0.484 54 A N 3.111 125.964 122.820 0.056 0.000 1.903 54 A HA -0.163 4.157 4.320 0.000 0.000 0.219 54 A C 1.687 179.292 177.584 0.035 0.000 1.191 54 A CA 2.269 54.337 52.037 0.051 0.000 0.638 54 A CB -0.684 18.346 19.000 0.050 0.000 0.823 54 A HN 0.759 nan 8.150 nan 0.000 0.451 55 G N -1.102 107.715 108.800 0.029 0.000 3.379 55 G HA2 0.409 4.369 3.960 0.000 0.000 0.253 55 G HA3 0.409 4.369 3.960 0.000 0.000 0.253 55 G C 0.122 175.033 174.900 0.017 0.000 1.262 55 G CA 0.582 45.695 45.100 0.021 0.000 0.959 55 G HN 0.653 nan 8.290 nan 0.000 0.524 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 29.709 29.700 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000