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 3ccr_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 0.000 174.700 174.700 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 1.078 109.879 108.800 0.001 0.000 2.390 2 G HA2 0.533 4.493 3.960 0.000 0.000 0.270 2 G HA3 0.533 4.493 3.960 0.000 0.000 0.270 2 G C 1.100 176.000 174.900 0.001 0.000 1.211 2 G CA -0.106 44.995 45.100 0.001 0.000 0.842 2 G HN 0.908 nan 8.290 nan 0.000 0.519 3 A N 2.296 125.117 122.820 0.001 0.000 2.178 3 A HA 0.218 4.538 4.320 0.000 0.000 0.218 3 A C 1.880 179.465 177.584 0.002 0.000 1.157 3 A CA 1.483 53.521 52.037 0.001 0.000 0.689 3 A CB -0.466 18.535 19.000 0.001 0.000 0.787 3 A HN 0.915 nan 8.150 nan 0.000 0.465 4 G N -1.264 107.536 108.800 0.001 0.000 2.608 4 G HA2 0.209 4.169 3.960 0.000 0.000 0.212 4 G HA3 0.209 4.169 3.960 0.000 0.000 0.212 4 G C 1.176 176.077 174.900 0.002 0.000 1.572 4 G CA 0.775 45.876 45.100 0.001 0.000 1.064 4 G HN 0.231 nan 8.290 nan 0.000 0.556 5 T N 2.454 117.009 114.554 0.002 0.000 2.653 5 T HA -0.161 4.189 4.350 0.000 0.000 0.267 5 T C 0.000 174.702 174.700 0.002 0.000 1.037 5 T CA 2.109 64.210 62.100 0.002 0.000 1.159 5 T CB -1.121 67.748 68.868 0.002 0.000 0.859 5 T HN 0.426 nan 8.240 nan 0.000 0.449 6 P HA 0.097 nan 4.420 nan 0.000 0.228 6 P C 0.973 178.274 177.300 0.002 0.000 1.151 6 P CA 0.917 64.018 63.100 0.002 0.000 0.770 6 P CB 0.012 31.713 31.700 0.002 0.000 0.786 7 S N -0.695 115.007 115.700 0.003 0.000 2.524 7 S HA 0.062 4.532 4.470 0.000 0.000 0.215 7 S C 1.732 176.335 174.600 0.004 0.000 0.986 7 S CA 0.017 58.219 58.200 0.003 0.000 0.911 7 S CB -0.140 63.062 63.200 0.003 0.000 0.805 7 S HN 0.119 nan 8.310 nan 0.000 0.501 8 Q N 0.931 120.733 119.800 0.004 0.000 2.245 8 Q HA 0.094 4.434 4.340 0.000 0.000 0.201 8 Q C 2.198 178.201 176.000 0.004 0.000 0.955 8 Q CA 1.022 56.828 55.803 0.004 0.000 0.870 8 Q CB -0.836 27.905 28.738 0.004 0.000 0.945 8 Q HN 0.569 nan 8.270 nan 0.000 0.461 9 G N 1.197 109.999 108.800 0.004 0.000 2.448 9 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 9 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 9 G C 1.387 176.289 174.900 0.003 0.000 1.127 9 G CA 0.364 45.465 45.100 0.003 0.000 0.766 9 G HN 0.290 nan 8.290 nan 0.000 0.552 10 K N 0.176 120.578 120.400 0.004 0.000 2.459 10 K HA 0.074 4.394 4.320 0.000 0.000 0.193 10 K C 0.430 177.033 176.600 0.004 0.000 1.030 10 K CA 0.102 56.391 56.287 0.003 0.000 1.026 10 K CB 0.212 32.714 32.500 0.004 0.000 0.809 10 K HN 0.172 nan 8.250 nan 0.000 0.504 11 K N 2.785 123.187 120.400 0.004 0.000 2.110 11 K HA 0.021 4.341 4.320 0.000 0.000 0.260 11 K C 0.139 176.741 176.600 0.003 0.000 1.126 11 K CA -0.035 56.255 56.287 0.005 0.000 1.005 11 K CB -0.011 32.493 32.500 0.007 0.000 1.336 11 K HN 0.158 nan 8.250 nan 0.000 0.369 12 N N 0.204 118.905 118.700 0.001 0.000 2.232 12 N HA -0.007 4.733 4.740 0.000 0.000 0.240 12 N C -0.570 174.937 175.510 -0.004 0.000 1.307 12 N CA -0.405 52.645 53.050 -0.000 0.000 0.859 12 N CB 0.607 39.095 38.487 0.001 0.000 1.260 12 N HN -0.022 nan 8.380 nan 0.000 0.501 13 T N 0.442 114.992 114.554 -0.008 0.000 2.913 13 T HA 0.377 4.727 4.350 0.000 0.000 0.287 13 T C -0.333 174.349 174.700 -0.030 0.000 1.008 13 T CA 0.267 62.356 62.100 -0.018 0.000 1.067 13 T CB 1.371 70.228 68.868 -0.019 0.000 0.996 13 T HN 0.033 nan 8.240 nan 0.000 0.513 14 T N 2.068 116.595 114.554 -0.046 0.000 2.770 14 T HA 0.494 4.844 4.350 0.000 0.000 0.283 14 T C 1.009 175.624 174.700 -0.140 0.000 0.988 14 T CA -0.668 61.396 62.100 -0.061 0.000 0.957 14 T CB 1.181 70.029 68.868 -0.033 0.000 0.930 14 T HN 0.849 nan 8.240 nan 0.000 0.443 15 T N -0.417 114.004 114.554 -0.222 0.000 3.447 15 T HA 0.204 4.554 4.350 0.000 0.000 0.218 15 T C 0.451 174.839 174.700 -0.520 0.000 0.972 15 T CA -0.265 61.494 62.100 -0.567 0.000 1.264 15 T CB -0.226 68.108 68.868 -0.890 0.000 1.284 15 T HN 0.548 nan 8.240 nan 0.000 0.361 16 H N 3.547 122.469 119.070 -0.246 0.000 2.899 16 H HA 0.456 5.012 4.556 0.000 0.000 0.303 16 H C 0.269 175.599 175.328 0.002 0.000 1.042 16 H CA 0.751 56.753 56.048 -0.076 0.000 1.479 16 H CB 0.379 30.130 29.762 -0.019 0.000 1.493 16 H HN 0.678 nan 8.280 nan 0.000 0.534 17 T N -0.117 114.537 114.554 0.167 0.000 2.901 17 T HA 0.288 4.638 4.350 0.000 0.000 0.293 17 T C 0.005 174.829 174.700 0.207 0.000 1.084 17 T CA -1.379 60.822 62.100 0.168 0.000 1.008 17 T CB 2.221 71.187 68.868 0.164 0.000 1.170 17 T HN 0.340 nan 8.240 nan 0.000 0.509 18 K N 0.777 121.256 120.400 0.133 0.000 2.437 18 K HA 0.180 4.500 4.320 0.000 0.000 0.277 18 K C 0.118 176.767 176.600 0.081 0.000 1.073 18 K CA -0.348 55.994 56.287 0.092 0.000 1.105 18 K CB -0.613 31.914 32.500 0.045 0.000 0.881 18 K HN 0.762 nan 8.250 nan 0.000 0.475 19 C N 5.620 124.968 119.300 0.080 0.000 2.637 19 C HA 0.171 4.631 4.460 0.000 0.000 0.418 19 C C 1.902 176.789 174.990 -0.171 0.000 1.319 19 C CA -0.448 58.560 59.018 -0.016 0.000 1.949 19 C CB -0.071 27.721 27.740 0.086 0.000 2.639 19 C HN 1.102 nan 8.230 nan 0.000 0.594 20 R N 2.514 122.819 120.500 -0.324 0.000 2.081 20 R HA -0.090 4.250 4.340 0.000 0.000 0.235 20 R C 2.486 178.503 176.300 -0.471 0.000 1.131 20 R CA 1.670 57.561 56.100 -0.349 0.000 0.960 20 R CB -0.246 29.858 30.300 -0.328 0.000 0.856 20 R HN 0.842 nan 8.270 nan 0.000 0.436 21 R N 0.123 120.158 120.500 -0.776 0.000 2.055 21 R HA -0.100 4.240 4.340 0.000 0.000 0.226 21 R C 2.363 178.475 176.300 -0.313 0.000 1.135 21 R CA 1.808 57.500 56.100 -0.679 0.000 0.959 21 R CB -0.232 29.463 30.300 -1.009 0.000 0.854 21 R HN 0.480 nan 8.270 nan 0.000 0.431 22 C N -2.007 117.170 119.300 -0.205 0.000 2.735 22 C HA 0.497 4.957 4.460 0.000 0.000 0.271 22 C C 1.574 176.526 174.990 -0.064 0.000 1.281 22 C CA 0.070 59.031 59.018 -0.095 0.000 1.719 22 C CB -0.012 27.710 27.740 -0.030 0.000 2.024 22 C HN 0.712 nan 8.230 nan 0.000 0.566 23 G N 0.628 109.385 108.800 -0.071 0.000 2.179 23 G HA2 -0.179 3.781 3.960 0.000 0.000 0.260 23 G HA3 -0.179 3.781 3.960 0.000 0.000 0.260 23 G C -0.259 174.640 174.900 -0.001 0.000 0.977 23 G CA 0.472 45.548 45.100 -0.040 0.000 0.641 23 G HN 0.670 nan 8.290 nan 0.000 0.533 24 E N 0.371 120.584 120.200 0.021 0.000 2.249 24 E HA 0.245 4.595 4.350 0.000 0.000 0.280 24 E C 0.387 177.039 176.600 0.086 0.000 1.016 24 E CA -0.675 55.753 56.400 0.047 0.000 0.830 24 E CB 1.236 30.968 29.700 0.052 0.000 1.081 24 E HN 0.335 nan 8.360 nan 0.000 0.395 25 K N 1.952 122.400 120.400 0.080 0.000 2.199 25 K HA 0.071 4.391 4.320 0.000 0.000 0.226 25 K C -0.360 176.332 176.600 0.154 0.000 1.237 25 K CA 0.252 56.607 56.287 0.113 0.000 1.170 25 K CB -0.250 32.297 32.500 0.079 0.000 1.418 25 K HN 0.220 nan 8.250 nan 0.000 0.255 26 S N 1.894 117.733 115.700 0.231 0.000 2.893 26 S HA -0.008 4.462 4.470 0.000 0.000 0.258 26 S C -0.820 174.061 174.600 0.468 0.000 1.034 26 S CA -0.505 57.890 58.200 0.324 0.000 1.167 26 S CB -0.016 63.309 63.200 0.209 0.000 1.137 26 S HN 0.543 nan 8.310 nan 0.000 0.650 27 Y N 3.913 124.352 120.300 0.232 0.000 2.613 27 Y HA 0.303 4.853 4.550 0.000 0.000 0.354 27 Y C 0.419 176.378 175.900 0.098 0.000 1.063 27 Y CA -1.169 57.042 58.100 0.185 0.000 1.384 27 Y CB -0.717 37.845 38.460 0.170 0.000 1.199 27 Y HN 0.286 nan 8.280 nan 0.000 0.517 28 H N 3.732 122.577 119.070 -0.374 0.000 3.253 28 H HA -0.013 4.543 4.556 0.000 0.000 0.250 28 H C 1.454 176.434 175.328 -0.580 0.000 1.051 28 H CA 0.734 56.444 56.048 -0.564 0.000 1.458 28 H CB 0.757 30.193 29.762 -0.543 0.000 1.549 28 H HN 0.785 nan 8.280 nan 0.000 0.506 29 T N 3.539 117.904 114.554 -0.315 0.000 3.155 29 T HA -0.057 4.293 4.350 0.000 0.000 0.264 29 T C 1.491 176.145 174.700 -0.078 0.000 1.160 29 T CA 1.114 63.093 62.100 -0.201 0.000 1.075 29 T CB -0.027 68.809 68.868 -0.053 0.000 0.921 29 T HN 0.625 nan 8.240 nan 0.000 0.533 30 K N -0.217 120.238 120.400 0.092 0.000 2.335 30 K HA 0.178 4.498 4.320 0.000 0.000 0.195 30 K C 1.932 178.519 176.600 -0.022 0.000 1.058 30 K CA 0.383 56.719 56.287 0.081 0.000 0.988 30 K CB 0.352 32.946 32.500 0.157 0.000 0.880 30 K HN 0.234 nan 8.250 nan 0.000 0.513 31 K N 0.543 120.884 120.400 -0.098 0.000 2.352 31 K HA 0.092 4.412 4.320 0.000 0.000 0.194 31 K C -0.189 176.276 176.600 -0.225 0.000 1.038 31 K CA -0.001 56.137 56.287 -0.248 0.000 1.023 31 K CB 0.525 32.754 32.500 -0.451 0.000 0.840 31 K HN -0.172 nan 8.250 nan 0.000 0.519 32 K N 0.624 120.831 120.400 -0.321 0.000 3.148 32 K HA -0.147 4.173 4.320 0.000 0.000 0.267 32 K C -0.965 175.462 176.600 -0.288 0.000 0.996 32 K CA 0.465 56.518 56.287 -0.389 0.000 0.737 32 K CB -2.287 30.157 32.500 -0.092 0.000 1.308 32 K HN 0.052 nan 8.250 nan 0.000 0.470 33 V N -0.478 119.212 119.914 -0.373 0.000 2.971 33 V HA 0.305 4.425 4.120 0.000 0.000 0.309 33 V C -0.153 175.977 176.094 0.060 0.000 1.130 33 V CA -1.143 61.113 62.300 -0.073 0.000 0.964 33 V CB 2.729 34.510 31.823 -0.070 0.000 1.029 33 V HN 0.437 nan 8.190 nan 0.000 0.427 34 C N 2.719 122.190 119.300 0.283 0.000 2.319 34 C HA 0.499 4.959 4.460 0.000 0.000 0.335 34 C C 1.841 176.983 174.990 0.253 0.000 1.274 34 C CA 0.318 59.551 59.018 0.358 0.000 1.806 34 C CB 0.880 28.895 27.740 0.459 0.000 2.329 34 C HN 1.110 nan 8.230 nan 0.000 0.524 35 S N 2.927 118.787 115.700 0.266 0.000 2.527 35 S HA -0.069 4.401 4.470 0.000 0.000 0.222 35 S C 1.584 176.299 174.600 0.192 0.000 0.985 35 S CA 1.255 59.591 58.200 0.227 0.000 0.921 35 S CB -0.049 63.304 63.200 0.256 0.000 0.772 35 S HN 0.803 nan 8.310 nan 0.000 0.529 36 S N 0.714 116.524 115.700 0.183 0.000 2.444 36 S HA 0.014 4.484 4.470 0.000 0.000 0.223 36 S C 1.875 176.547 174.600 0.120 0.000 1.054 36 S CA 0.712 58.994 58.200 0.137 0.000 0.947 36 S CB -0.429 62.839 63.200 0.112 0.000 0.850 36 S HN 0.867 nan 8.310 nan 0.000 0.527 37 C N 0.478 119.860 119.300 0.136 0.000 3.038 37 C HA 0.695 5.155 4.460 0.000 0.000 0.279 37 C C 1.791 176.865 174.990 0.139 0.000 1.276 37 C CA 0.176 59.258 59.018 0.107 0.000 1.697 37 C CB -0.632 27.155 27.740 0.078 0.000 2.032 37 C HN 0.820 nan 8.230 nan 0.000 0.636 38 G N 0.642 109.549 108.800 0.178 0.000 2.184 38 G HA2 -0.306 3.654 3.960 0.000 0.000 0.264 38 G HA3 -0.306 3.654 3.960 0.000 0.000 0.264 38 G C -0.114 174.909 174.900 0.205 0.000 0.975 38 G CA 0.343 45.541 45.100 0.164 0.000 0.642 38 G HN 0.852 nan 8.290 nan 0.000 0.536 39 F N 1.541 121.551 119.950 0.100 0.000 2.608 39 F HA 0.394 4.921 4.527 0.000 0.000 0.380 39 F C 1.544 177.442 175.800 0.163 0.000 1.083 39 F CA 1.313 59.374 58.000 0.102 0.000 1.266 39 F CB 0.553 39.602 39.000 0.081 0.000 1.076 39 F HN 1.145 nan 8.300 nan 0.000 0.574 40 G N 4.492 112.999 108.800 -0.488 0.000 2.234 40 G HA2 -0.329 3.631 3.960 0.000 0.000 0.235 40 G HA3 -0.329 3.631 3.960 0.000 0.000 0.235 40 G C 1.058 175.872 174.900 -0.144 0.000 0.997 40 G CA 0.466 45.334 45.100 -0.386 0.000 0.623 40 G HN 0.789 nan 8.290 nan 0.000 0.514 41 K N 0.255 120.622 120.400 -0.055 0.000 2.362 41 K HA 0.370 4.690 4.320 0.000 0.000 0.203 41 K C 0.882 177.484 176.600 0.003 0.000 1.198 41 K CA 1.207 57.485 56.287 -0.015 0.000 0.908 41 K CB 0.465 32.977 32.500 0.020 0.000 1.236 41 K HN 0.808 nan 8.250 nan 0.000 0.487 42 S N -0.826 114.891 115.700 0.028 0.000 2.538 42 S HA 0.572 5.042 4.470 0.000 0.000 0.288 42 S C 0.463 175.096 174.600 0.055 0.000 1.108 42 S CA -0.447 57.773 58.200 0.033 0.000 0.971 42 S CB 1.889 65.106 63.200 0.028 0.000 1.041 42 S HN 0.224 nan 8.310 nan 0.000 0.483 43 A N 2.500 125.346 122.820 0.043 0.000 2.067 43 A HA 0.115 4.435 4.320 0.000 0.000 0.219 43 A C 0.921 178.533 177.584 0.046 0.000 1.158 43 A CA 0.833 52.904 52.037 0.056 0.000 0.661 43 A CB -0.396 18.626 19.000 0.036 0.000 0.801 43 A HN 0.791 nan 8.150 nan 0.000 0.452 44 K N 0.313 120.727 120.400 0.023 0.000 2.098 44 K HA 0.370 4.690 4.320 0.000 0.000 0.261 44 K C -0.317 176.282 176.600 -0.002 0.000 0.987 44 K CA -0.916 55.371 56.287 -0.001 0.000 0.916 44 K CB 0.696 33.181 32.500 -0.025 0.000 1.039 44 K HN 0.088 nan 8.250 nan 0.000 0.455 45 R N 2.016 122.502 120.500 -0.023 0.000 2.491 45 R HA 0.056 4.396 4.340 0.000 0.000 0.283 45 R C 0.249 176.497 176.300 -0.086 0.000 1.072 45 R CA -0.111 55.970 56.100 -0.031 0.000 1.048 45 R CB 0.336 30.610 30.300 -0.043 0.000 0.983 45 R HN 0.579 nan 8.270 nan 0.000 0.450 46 R N 2.200 122.660 120.500 -0.067 0.000 2.404 46 R HA -0.037 4.303 4.340 0.000 0.000 0.315 46 R C -0.890 175.255 176.300 -0.258 0.000 1.032 46 R CA 0.460 56.472 56.100 -0.146 0.000 0.992 46 R CB 0.105 30.410 30.300 0.009 0.000 0.959 46 R HN 0.537 nan 8.270 nan 0.000 0.428 47 D N 3.428 123.508 120.400 -0.533 0.000 2.859 47 D HA 0.310 4.950 4.640 0.000 0.000 0.223 47 D C -1.868 173.886 176.300 -0.911 0.000 1.218 47 D CA -0.326 53.369 54.000 -0.509 0.000 0.850 47 D CB 0.895 41.512 40.800 -0.305 0.000 1.656 47 D HN 0.417 nan 8.370 nan 0.000 0.484 48 Y N 0.916 120.935 120.300 -0.468 0.000 2.524 48 Y HA 0.281 4.831 4.550 0.000 0.000 0.347 48 Y C 0.970 176.528 175.900 -0.569 0.000 1.005 48 Y CA -0.827 56.856 58.100 -0.694 0.000 1.025 48 Y CB 2.274 39.793 38.460 -1.568 0.000 1.275 48 Y HN 0.281 nan 8.280 nan 0.000 0.460 49 E N 1.897 121.977 120.200 -0.200 0.000 2.418 49 E HA -0.097 4.253 4.350 0.000 0.000 0.197 49 E C 1.288 177.907 176.600 0.031 0.000 1.026 49 E CA 0.639 57.002 56.400 -0.063 0.000 0.862 49 E CB 0.022 29.736 29.700 0.025 0.000 0.799 49 E HN 0.805 nan 8.360 nan 0.000 0.518 50 W N 0.396 121.760 121.300 0.107 0.000 3.180 50 W HA 0.118 4.778 4.660 0.000 0.000 0.254 50 W C 0.651 177.205 176.519 0.057 0.000 1.318 50 W CA -0.194 57.188 57.345 0.060 0.000 1.608 50 W CB -0.417 29.059 29.460 0.027 0.000 1.124 50 W HN 0.003 nan 8.180 nan 0.000 0.694 51 Q N 1.918 121.737 119.800 0.032 0.000 2.466 51 Q HA 0.007 4.347 4.340 0.000 0.000 0.210 51 Q C 0.578 176.623 176.000 0.075 0.000 0.961 51 Q CA 0.707 56.540 55.803 0.050 0.000 0.953 51 Q CB 0.097 28.761 28.738 -0.125 0.000 1.011 51 Q HN 0.229 nan 8.270 nan 0.000 0.516 52 S N -1.441 114.313 115.700 0.091 0.000 2.588 52 S HA 0.393 4.863 4.470 0.000 0.000 0.269 52 S C -0.927 173.723 174.600 0.083 0.000 1.157 52 S CA -1.259 56.982 58.200 0.068 0.000 0.824 52 S CB 1.616 64.835 63.200 0.031 0.000 1.126 52 S HN -0.171 nan 8.310 nan 0.000 0.464 53 K N 0.829 121.267 120.400 0.064 0.000 2.440 53 K HA 0.336 4.656 4.320 0.000 0.000 0.270 53 K C 1.688 178.321 176.600 0.056 0.000 0.980 53 K CA 0.494 56.817 56.287 0.060 0.000 0.953 53 K CB 0.311 32.837 32.500 0.042 0.000 0.925 53 K HN 0.853 nan 8.250 nan 0.000 0.497 54 A N 2.386 125.241 122.820 0.057 0.000 1.917 54 A HA -0.123 4.197 4.320 0.000 0.000 0.219 54 A C 1.564 179.170 177.584 0.037 0.000 1.182 54 A CA 2.130 54.199 52.037 0.052 0.000 0.633 54 A CB -0.541 18.488 19.000 0.049 0.000 0.819 54 A HN 0.722 nan 8.150 nan 0.000 0.448 55 G N -0.887 107.932 108.800 0.030 0.000 3.678 55 G HA2 0.458 4.418 3.960 0.000 0.000 0.287 55 G HA3 0.458 4.418 3.960 0.000 0.000 0.287 55 G C -0.021 174.891 174.900 0.019 0.000 1.280 55 G CA 0.377 45.491 45.100 0.022 0.000 1.118 55 G HN 0.566 nan 8.290 nan 0.000 0.563 56 E N 0.000 120.213 120.200 0.021 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 29.712 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000