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 2otl_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 68.869 68.868 0.001 0.000 0.612 2 G N 0.449 109.249 108.800 0.001 0.000 2.442 2 G HA2 0.503 4.463 3.960 0.000 0.000 0.249 2 G HA3 0.503 4.463 3.960 0.000 0.000 0.249 2 G C 0.976 175.877 174.900 0.001 0.000 1.263 2 G CA -0.113 44.988 45.100 0.001 0.000 0.846 2 G HN 1.040 nan 8.290 nan 0.000 0.555 3 A N 1.785 124.606 122.820 0.001 0.000 2.235 3 A HA 0.383 4.703 4.320 0.000 0.000 0.208 3 A C 1.706 179.291 177.584 0.002 0.000 1.172 3 A CA 1.222 53.260 52.037 0.002 0.000 0.786 3 A CB -0.274 18.727 19.000 0.001 0.000 0.804 3 A HN 0.892 nan 8.150 nan 0.000 0.479 4 G N -1.151 107.651 108.800 0.002 0.000 3.286 4 G HA2 0.256 4.216 3.960 0.000 0.000 0.173 4 G HA3 0.256 4.216 3.960 0.000 0.000 0.173 4 G C 1.166 176.068 174.900 0.003 0.000 1.704 4 G CA 0.835 45.936 45.100 0.002 0.000 1.041 4 G HN 0.184 nan 8.290 nan 0.000 0.561 5 T N 2.653 117.208 114.554 0.003 0.000 2.620 5 T HA -0.142 4.208 4.350 0.000 0.000 0.267 5 T C 0.027 174.729 174.700 0.003 0.000 1.044 5 T CA 2.163 64.265 62.100 0.003 0.000 1.161 5 T CB -1.136 67.733 68.868 0.002 0.000 0.862 5 T HN 0.370 nan 8.240 nan 0.000 0.438 6 P HA 0.044 nan 4.420 nan 0.000 0.220 6 P C 1.186 178.488 177.300 0.003 0.000 1.148 6 P CA 1.025 64.126 63.100 0.002 0.000 0.803 6 P CB -0.080 31.621 31.700 0.002 0.000 0.782 7 S N -0.517 115.185 115.700 0.003 0.000 2.593 7 S HA 0.031 4.501 4.470 0.000 0.000 0.217 7 S C 1.722 176.325 174.600 0.005 0.000 0.966 7 S CA 0.257 58.459 58.200 0.004 0.000 0.914 7 S CB -0.284 62.918 63.200 0.004 0.000 0.776 7 S HN 0.157 nan 8.310 nan 0.000 0.523 8 Q N 0.692 120.495 119.800 0.005 0.000 2.269 8 Q HA 0.132 4.473 4.340 0.000 0.000 0.201 8 Q C 2.229 178.232 176.000 0.006 0.000 0.946 8 Q CA 0.864 56.671 55.803 0.006 0.000 0.877 8 Q CB -0.880 27.861 28.738 0.006 0.000 0.963 8 Q HN 0.560 nan 8.270 nan 0.000 0.472 9 G N 1.405 110.208 108.800 0.005 0.000 2.448 9 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 9 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 9 G C 1.336 176.238 174.900 0.004 0.000 1.127 9 G CA 0.381 45.483 45.100 0.004 0.000 0.766 9 G HN 0.302 nan 8.290 nan 0.000 0.552 10 K N 0.264 120.666 120.400 0.004 0.000 2.525 10 K HA 0.070 4.390 4.320 0.000 0.000 0.192 10 K C 0.665 177.267 176.600 0.004 0.000 1.029 10 K CA 0.134 56.423 56.287 0.004 0.000 1.029 10 K CB 0.199 32.701 32.500 0.004 0.000 0.814 10 K HN 0.163 nan 8.250 nan 0.000 0.503 11 K N 2.789 123.193 120.400 0.006 0.000 2.449 11 K HA 0.006 4.326 4.320 0.000 0.000 0.237 11 K C 0.092 176.694 176.600 0.004 0.000 1.265 11 K CA -0.048 56.243 56.287 0.006 0.000 1.193 11 K CB -0.245 32.261 32.500 0.009 0.000 1.515 11 K HN 0.194 nan 8.250 nan 0.000 0.259 12 N N -0.380 118.321 118.700 0.002 0.000 2.338 12 N HA -0.003 4.737 4.740 0.000 0.000 0.251 12 N C -0.632 174.875 175.510 -0.005 0.000 1.199 12 N CA -0.410 52.640 53.050 -0.000 0.000 0.879 12 N CB 0.601 39.088 38.487 0.001 0.000 1.159 12 N HN -0.128 nan 8.380 nan 0.000 0.514 13 T N 0.361 114.910 114.554 -0.008 0.000 2.837 13 T HA 0.332 4.682 4.350 0.000 0.000 0.285 13 T C -0.247 174.432 174.700 -0.035 0.000 0.984 13 T CA -0.009 62.079 62.100 -0.019 0.000 1.049 13 T CB 1.391 70.248 68.868 -0.018 0.000 0.947 13 T HN 0.048 nan 8.240 nan 0.000 0.472 14 T N 2.671 117.196 114.554 -0.050 0.000 2.767 14 T HA 0.471 4.821 4.350 0.000 0.000 0.288 14 T C 1.201 175.804 174.700 -0.161 0.000 0.963 14 T CA -0.576 61.481 62.100 -0.072 0.000 1.019 14 T CB 1.105 69.946 68.868 -0.045 0.000 0.923 14 T HN 0.862 nan 8.240 nan 0.000 0.468 15 T N -0.412 113.991 114.554 -0.252 0.000 3.426 15 T HA 0.179 4.529 4.350 0.000 0.000 0.195 15 T C 0.370 174.705 174.700 -0.608 0.000 0.963 15 T CA -0.334 61.381 62.100 -0.641 0.000 1.154 15 T CB -0.194 68.160 68.868 -0.856 0.000 1.377 15 T HN 0.554 nan 8.240 nan 0.000 0.342 16 H N 3.495 122.406 119.070 -0.266 0.000 2.899 16 H HA 0.479 5.035 4.556 0.000 0.000 0.303 16 H C 0.347 175.668 175.328 -0.012 0.000 1.042 16 H CA 0.726 56.718 56.048 -0.093 0.000 1.479 16 H CB 0.437 30.188 29.762 -0.017 0.000 1.493 16 H HN 0.724 nan 8.280 nan 0.000 0.534 17 T N -0.157 114.491 114.554 0.155 0.000 2.888 17 T HA 0.319 4.669 4.350 0.000 0.000 0.288 17 T C 0.054 174.870 174.700 0.192 0.000 1.063 17 T CA -1.366 60.826 62.100 0.154 0.000 1.010 17 T CB 2.175 71.134 68.868 0.151 0.000 1.214 17 T HN 0.305 nan 8.240 nan 0.000 0.533 18 K N 0.383 120.856 120.400 0.122 0.000 2.491 18 K HA 0.185 4.505 4.320 0.000 0.000 0.279 18 K C -0.188 176.453 176.600 0.069 0.000 1.026 18 K CA -0.270 56.064 56.287 0.079 0.000 1.070 18 K CB -0.371 32.150 32.500 0.034 0.000 0.887 18 K HN 0.771 nan 8.250 nan 0.000 0.481 19 C N 6.485 125.812 119.300 0.044 0.000 2.394 19 C HA 0.270 4.730 4.460 0.000 0.000 0.362 19 C C 1.806 176.664 174.990 -0.219 0.000 1.268 19 C CA -0.595 58.391 59.018 -0.053 0.000 1.828 19 C CB -0.240 27.525 27.740 0.041 0.000 2.442 19 C HN 1.107 nan 8.230 nan 0.000 0.549 20 R N 2.987 123.256 120.500 -0.386 0.000 2.139 20 R HA -0.123 4.217 4.340 0.000 0.000 0.243 20 R C 2.332 178.328 176.300 -0.507 0.000 1.145 20 R CA 1.683 57.540 56.100 -0.405 0.000 0.976 20 R CB -0.199 29.843 30.300 -0.430 0.000 0.866 20 R HN 0.839 nan 8.270 nan 0.000 0.449 21 R N -0.181 119.882 120.500 -0.728 0.000 2.074 21 R HA -0.061 4.279 4.340 0.000 0.000 0.218 21 R C 2.317 178.446 176.300 -0.285 0.000 1.137 21 R CA 1.475 57.203 56.100 -0.620 0.000 0.998 21 R CB -0.166 29.593 30.300 -0.902 0.000 0.895 21 R HN 0.451 nan 8.270 nan 0.000 0.442 22 C N -1.499 117.690 119.300 -0.185 0.000 2.780 22 C HA 0.490 4.950 4.460 0.000 0.000 0.267 22 C C 1.493 176.447 174.990 -0.060 0.000 1.266 22 C CA 0.151 59.119 59.018 -0.084 0.000 1.709 22 C CB 0.011 27.738 27.740 -0.021 0.000 1.975 22 C HN 0.708 nan 8.230 nan 0.000 0.582 23 G N 0.651 109.408 108.800 -0.071 0.000 2.179 23 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 23 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 23 G C -0.232 174.663 174.900 -0.008 0.000 0.977 23 G CA 0.551 45.624 45.100 -0.044 0.000 0.641 23 G HN 0.649 nan 8.290 nan 0.000 0.533 24 E N 0.088 120.295 120.200 0.013 0.000 2.283 24 E HA 0.304 4.654 4.350 0.000 0.000 0.271 24 E C 0.364 177.006 176.600 0.070 0.000 1.031 24 E CA -0.705 55.718 56.400 0.039 0.000 0.868 24 E CB 1.111 30.839 29.700 0.048 0.000 1.094 24 E HN 0.289 nan 8.360 nan 0.000 0.401 25 K N 1.434 121.875 120.400 0.069 0.000 2.737 25 K HA 0.124 4.444 4.320 0.000 0.000 0.251 25 K C -0.356 176.326 176.600 0.137 0.000 1.280 25 K CA 0.147 56.493 56.287 0.097 0.000 1.219 25 K CB -0.282 32.259 32.500 0.068 0.000 1.587 25 K HN 0.189 nan 8.250 nan 0.000 0.279 26 S N 0.944 116.762 115.700 0.197 0.000 2.900 26 S HA 0.015 4.485 4.470 0.000 0.000 0.253 26 S C -0.799 174.060 174.600 0.431 0.000 1.029 26 S CA -0.505 57.856 58.200 0.268 0.000 1.096 26 S CB -0.018 63.279 63.200 0.162 0.000 1.067 26 S HN 0.469 nan 8.310 nan 0.000 0.610 27 Y N 3.625 124.059 120.300 0.225 0.000 2.539 27 Y HA 0.308 4.858 4.550 0.000 0.000 0.352 27 Y C 0.357 176.340 175.900 0.138 0.000 1.004 27 Y CA -1.170 57.052 58.100 0.203 0.000 1.278 27 Y CB -0.405 38.157 38.460 0.171 0.000 1.136 27 Y HN 0.275 nan 8.280 nan 0.000 0.528 28 H N 4.255 123.140 119.070 -0.309 0.000 3.160 28 H HA 0.030 4.586 4.556 0.000 0.000 0.257 28 H C 1.489 176.500 175.328 -0.527 0.000 1.140 28 H CA 0.664 56.425 56.048 -0.478 0.000 1.492 28 H CB 0.730 30.217 29.762 -0.458 0.000 1.529 28 H HN 0.858 nan 8.280 nan 0.000 0.490 29 T N 3.172 117.521 114.554 -0.342 0.000 2.996 29 T HA -0.121 4.229 4.350 0.000 0.000 0.271 29 T C 1.529 176.181 174.700 -0.079 0.000 1.126 29 T CA 1.545 63.530 62.100 -0.192 0.000 1.103 29 T CB 0.004 68.831 68.868 -0.068 0.000 0.870 29 T HN 0.639 nan 8.240 nan 0.000 0.528 30 K N -0.443 120.002 120.400 0.075 0.000 2.276 30 K HA 0.180 4.500 4.320 0.000 0.000 0.198 30 K C 2.190 178.798 176.600 0.013 0.000 1.052 30 K CA 0.437 56.779 56.287 0.091 0.000 0.984 30 K CB 0.301 32.894 32.500 0.156 0.000 0.836 30 K HN 0.197 nan 8.250 nan 0.000 0.490 31 K N 0.440 120.824 120.400 -0.027 0.000 2.323 31 K HA 0.089 4.409 4.320 0.000 0.000 0.197 31 K C -0.129 176.365 176.600 -0.176 0.000 1.043 31 K CA 0.141 56.314 56.287 -0.189 0.000 0.997 31 K CB 0.494 32.776 32.500 -0.364 0.000 0.807 31 K HN -0.176 nan 8.250 nan 0.000 0.497 32 K N 0.386 120.619 120.400 -0.278 0.000 3.125 32 K HA -0.122 4.198 4.320 0.000 0.000 0.268 32 K C -1.142 175.280 176.600 -0.296 0.000 1.078 32 K CA 0.398 56.454 56.287 -0.385 0.000 0.775 32 K CB -2.329 30.128 32.500 -0.072 0.000 1.253 32 K HN 0.051 nan 8.250 nan 0.000 0.486 33 V N -0.083 119.622 119.914 -0.347 0.000 2.760 33 V HA 0.274 4.394 4.120 0.000 0.000 0.309 33 V C 0.035 176.186 176.094 0.096 0.000 1.077 33 V CA -1.167 61.108 62.300 -0.041 0.000 0.910 33 V CB 2.553 34.357 31.823 -0.032 0.000 1.008 33 V HN 0.418 nan 8.190 nan 0.000 0.424 34 C N 3.696 123.194 119.300 0.330 0.000 2.325 34 C HA 0.390 4.850 4.460 0.000 0.000 0.347 34 C C 1.999 177.148 174.990 0.265 0.000 1.263 34 C CA 0.320 59.567 59.018 0.382 0.000 1.806 34 C CB 0.347 28.357 27.740 0.450 0.000 2.405 34 C HN 1.129 nan 8.230 nan 0.000 0.537 35 S N 3.360 119.219 115.700 0.266 0.000 2.481 35 S HA -0.098 4.372 4.470 0.000 0.000 0.231 35 S C 1.689 176.395 174.600 0.178 0.000 0.996 35 S CA 1.509 59.836 58.200 0.213 0.000 0.942 35 S CB -0.117 63.204 63.200 0.202 0.000 0.768 35 S HN 0.826 nan 8.310 nan 0.000 0.520 36 S N 0.530 116.333 115.700 0.171 0.000 2.398 36 S HA 0.009 4.479 4.470 0.000 0.000 0.220 36 S C 1.915 176.589 174.600 0.122 0.000 1.046 36 S CA 0.736 59.016 58.200 0.132 0.000 0.953 36 S CB -0.478 62.783 63.200 0.103 0.000 0.856 36 S HN 0.894 nan 8.310 nan 0.000 0.506 37 C N 0.168 119.552 119.300 0.139 0.000 3.038 37 C HA 0.703 5.163 4.460 0.000 0.000 0.279 37 C C 1.792 176.868 174.990 0.144 0.000 1.276 37 C CA 0.130 59.217 59.018 0.114 0.000 1.697 37 C CB -0.542 27.255 27.740 0.095 0.000 2.032 37 C HN 0.779 nan 8.230 nan 0.000 0.636 38 G N 0.667 109.576 108.800 0.182 0.000 2.184 38 G HA2 -0.308 3.652 3.960 0.000 0.000 0.264 38 G HA3 -0.308 3.652 3.960 0.000 0.000 0.264 38 G C -0.129 174.887 174.900 0.193 0.000 0.975 38 G CA 0.320 45.518 45.100 0.164 0.000 0.642 38 G HN 0.886 nan 8.290 nan 0.000 0.536 39 F N 1.562 121.576 119.950 0.108 0.000 2.602 39 F HA 0.398 4.925 4.527 0.000 0.000 0.385 39 F C 1.496 177.400 175.800 0.174 0.000 1.063 39 F CA 1.366 59.431 58.000 0.108 0.000 1.233 39 F CB 0.447 39.497 39.000 0.083 0.000 1.067 39 F HN 1.097 nan 8.300 nan 0.000 0.564 40 G N 4.627 113.103 108.800 -0.540 0.000 2.238 40 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 40 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 40 G C 1.002 175.809 174.900 -0.155 0.000 0.996 40 G CA 0.372 45.233 45.100 -0.398 0.000 0.632 40 G HN 0.778 nan 8.290 nan 0.000 0.503 41 K N -0.214 120.145 120.400 -0.070 0.000 2.403 41 K HA 0.451 4.771 4.320 0.000 0.000 0.199 41 K C 0.662 177.258 176.600 -0.007 0.000 1.199 41 K CA 1.006 57.280 56.287 -0.021 0.000 0.924 41 K CB 0.581 33.094 32.500 0.022 0.000 1.137 41 K HN 0.421 nan 8.250 nan 0.000 0.510 42 S N -0.741 114.966 115.700 0.011 0.000 2.526 42 S HA 0.582 5.052 4.470 0.000 0.000 0.293 42 S C 0.235 174.857 174.600 0.037 0.000 1.092 42 S CA -0.304 57.909 58.200 0.021 0.000 0.980 42 S CB 1.845 65.061 63.200 0.027 0.000 1.048 42 S HN 0.297 nan 8.310 nan 0.000 0.483 43 A N 4.387 127.224 122.820 0.027 0.000 1.929 43 A HA 0.206 4.526 4.320 0.000 0.000 0.216 43 A C 0.849 178.457 177.584 0.041 0.000 1.176 43 A CA 0.888 52.950 52.037 0.042 0.000 0.628 43 A CB -0.305 18.710 19.000 0.025 0.000 0.816 43 A HN 0.762 nan 8.150 nan 0.000 0.444 44 K N 0.659 121.069 120.400 0.017 0.000 2.237 44 K HA 0.282 4.602 4.320 0.000 0.000 0.270 44 K C -0.212 176.387 176.600 -0.002 0.000 1.015 44 K CA -0.632 55.653 56.287 -0.003 0.000 0.949 44 K CB 0.550 33.033 32.500 -0.028 0.000 0.976 44 K HN 0.151 nan 8.250 nan 0.000 0.472 45 R N 2.305 122.794 120.500 -0.017 0.000 2.491 45 R HA 0.042 4.382 4.340 0.000 0.000 0.283 45 R C 0.244 176.499 176.300 -0.076 0.000 1.072 45 R CA -0.063 56.024 56.100 -0.021 0.000 1.048 45 R CB 0.453 30.734 30.300 -0.031 0.000 0.983 45 R HN 0.580 nan 8.270 nan 0.000 0.450 46 R N 1.969 122.436 120.500 -0.056 0.000 2.484 46 R HA -0.050 4.290 4.340 0.000 0.000 0.293 46 R C -0.845 175.313 176.300 -0.236 0.000 1.023 46 R CA 0.603 56.622 56.100 -0.134 0.000 1.037 46 R CB 0.259 30.568 30.300 0.015 0.000 0.951 46 R HN 0.574 nan 8.270 nan 0.000 0.418 47 D N 3.212 123.301 120.400 -0.518 0.000 2.836 47 D HA 0.245 4.885 4.640 0.000 0.000 0.215 47 D C -1.941 173.839 176.300 -0.868 0.000 1.255 47 D CA -0.345 53.357 54.000 -0.496 0.000 0.822 47 D CB 0.683 41.305 40.800 -0.298 0.000 1.656 47 D HN 0.395 nan 8.370 nan 0.000 0.511 48 Y N 1.205 121.209 120.300 -0.494 0.000 2.512 48 Y HA 0.315 4.865 4.550 0.000 0.000 0.348 48 Y C 1.214 176.735 175.900 -0.632 0.000 0.990 48 Y CA -0.848 56.819 58.100 -0.721 0.000 1.033 48 Y CB 2.092 39.607 38.460 -1.574 0.000 1.259 48 Y HN 0.260 nan 8.280 nan 0.000 0.461 49 E N 1.808 121.856 120.200 -0.253 0.000 2.268 49 E HA -0.132 4.218 4.350 0.000 0.000 0.195 49 E C 1.511 178.099 176.600 -0.019 0.000 0.995 49 E CA 0.896 57.236 56.400 -0.101 0.000 0.836 49 E CB -0.072 29.632 29.700 0.007 0.000 0.763 49 E HN 0.827 nan 8.360 nan 0.000 0.491 50 W N 0.559 121.922 121.300 0.104 0.000 2.961 50 W HA 0.073 4.733 4.660 0.000 0.000 0.240 50 W C 0.726 177.280 176.519 0.057 0.000 1.305 50 W CA -0.122 57.259 57.345 0.061 0.000 1.465 50 W CB -0.527 28.952 29.460 0.031 0.000 1.135 50 W HN 0.053 nan 8.180 nan 0.000 0.688 51 Q N 1.590 121.400 119.800 0.016 0.000 2.482 51 Q HA -0.018 4.322 4.340 0.000 0.000 0.209 51 Q C 0.657 176.701 176.000 0.074 0.000 0.961 51 Q CA 0.807 56.635 55.803 0.041 0.000 0.945 51 Q CB 0.258 28.912 28.738 -0.141 0.000 1.012 51 Q HN 0.222 nan 8.270 nan 0.000 0.515 52 S N -1.337 114.410 115.700 0.078 0.000 2.607 52 S HA 0.427 4.897 4.470 0.000 0.000 0.273 52 S C -1.004 173.642 174.600 0.077 0.000 1.148 52 S CA -1.270 56.967 58.200 0.061 0.000 0.833 52 S CB 1.566 64.781 63.200 0.025 0.000 1.130 52 S HN -0.180 nan 8.310 nan 0.000 0.470 53 K N 1.042 121.477 120.400 0.059 0.000 2.448 53 K HA 0.302 4.622 4.320 0.000 0.000 0.278 53 K C 1.634 178.264 176.600 0.051 0.000 1.009 53 K CA 0.472 56.793 56.287 0.056 0.000 0.995 53 K CB 0.469 32.993 32.500 0.040 0.000 0.917 53 K HN 0.843 nan 8.250 nan 0.000 0.481 54 A N 3.272 126.126 122.820 0.057 0.000 1.971 54 A HA -0.185 4.135 4.320 0.000 0.000 0.222 54 A C 1.553 179.158 177.584 0.035 0.000 1.182 54 A CA 2.304 54.372 52.037 0.051 0.000 0.649 54 A CB -0.547 18.484 19.000 0.051 0.000 0.818 54 A HN 0.749 nan 8.150 nan 0.000 0.458 55 G N -1.144 107.674 108.800 0.029 0.000 3.678 55 G HA2 0.467 4.427 3.960 0.000 0.000 0.287 55 G HA3 0.467 4.427 3.960 0.000 0.000 0.287 55 G C -0.037 174.873 174.900 0.017 0.000 1.280 55 G CA 0.460 45.572 45.100 0.021 0.000 1.118 55 G HN 0.587 nan 8.290 nan 0.000 0.563 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 29.710 29.700 0.016 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000