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 3i55_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 0.000 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 0.653 109.453 108.800 0.000 0.000 2.444 2 G HA2 0.532 4.492 3.960 0.000 0.000 0.268 2 G HA3 0.532 4.492 3.960 0.000 0.000 0.268 2 G C 0.972 175.872 174.900 0.000 0.000 1.203 2 G CA -0.138 44.962 45.100 -0.000 0.000 0.835 2 G HN 0.989 nan 8.290 nan 0.000 0.543 3 A N 1.605 124.425 122.820 -0.000 0.000 2.235 3 A HA 0.372 4.692 4.320 0.000 0.000 0.208 3 A C 1.746 179.330 177.584 0.000 0.000 1.172 3 A CA 1.141 53.178 52.037 0.000 0.000 0.786 3 A CB -0.392 18.608 19.000 -0.001 0.000 0.804 3 A HN 0.909 nan 8.150 nan 0.000 0.479 4 G N -0.731 108.069 108.800 0.000 0.000 2.803 4 G HA2 0.222 4.182 3.960 0.000 0.000 0.177 4 G HA3 0.222 4.182 3.960 0.000 0.000 0.177 4 G C 1.227 176.128 174.900 0.001 0.000 1.629 4 G CA 0.860 45.960 45.100 0.000 0.000 1.077 4 G HN 0.258 nan 8.290 nan 0.000 0.556 5 T N 2.653 117.207 114.554 0.001 0.000 2.592 5 T HA -0.147 4.203 4.350 0.000 0.000 0.267 5 T C 0.101 174.802 174.700 0.002 0.000 1.060 5 T CA 2.133 64.234 62.100 0.002 0.000 1.167 5 T CB -1.451 67.418 68.868 0.001 0.000 0.863 5 T HN 0.413 nan 8.240 nan 0.000 0.431 6 P HA -0.126 nan 4.420 nan 0.000 0.217 6 P C 1.435 178.736 177.300 0.002 0.000 1.158 6 P CA 1.518 64.619 63.100 0.002 0.000 0.887 6 P CB -0.252 31.449 31.700 0.001 0.000 0.792 7 S N -0.609 115.092 115.700 0.002 0.000 2.607 7 S HA -0.029 4.441 4.470 0.000 0.000 0.224 7 S C 1.798 176.400 174.600 0.004 0.000 0.969 7 S CA 0.499 58.701 58.200 0.003 0.000 0.927 7 S CB -0.465 62.737 63.200 0.003 0.000 0.772 7 S HN 0.210 nan 8.310 nan 0.000 0.533 8 Q N 0.675 120.478 119.800 0.004 0.000 2.311 8 Q HA 0.113 4.453 4.340 0.000 0.000 0.203 8 Q C 2.217 178.220 176.000 0.005 0.000 0.954 8 Q CA 0.854 56.660 55.803 0.005 0.000 0.885 8 Q CB -0.764 27.977 28.738 0.004 0.000 0.963 8 Q HN 0.587 nan 8.270 nan 0.000 0.471 9 G N 1.027 109.830 108.800 0.005 0.000 2.421 9 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 9 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 9 G C 1.409 176.312 174.900 0.006 0.000 1.143 9 G CA 0.159 45.262 45.100 0.005 0.000 0.784 9 G HN 0.270 nan 8.290 nan 0.000 0.541 10 K N 0.387 120.791 120.400 0.006 0.000 2.504 10 K HA 0.022 4.342 4.320 0.000 0.000 0.195 10 K C 0.641 177.246 176.600 0.008 0.000 1.036 10 K CA 0.302 56.593 56.287 0.007 0.000 0.984 10 K CB 0.074 32.577 32.500 0.006 0.000 0.788 10 K HN 0.197 nan 8.250 nan 0.000 0.488 11 K N 2.548 122.954 120.400 0.009 0.000 2.449 11 K HA 0.002 4.322 4.320 0.000 0.000 0.237 11 K C 0.140 176.747 176.600 0.012 0.000 1.265 11 K CA -0.038 56.256 56.287 0.011 0.000 1.193 11 K CB -0.221 32.286 32.500 0.011 0.000 1.515 11 K HN 0.159 nan 8.250 nan 0.000 0.259 12 N N -0.484 118.224 118.700 0.013 0.000 2.338 12 N HA -0.001 4.739 4.740 0.000 0.000 0.251 12 N C -0.517 175.003 175.510 0.016 0.000 1.199 12 N CA -0.395 52.663 53.050 0.014 0.000 0.879 12 N CB 0.622 39.116 38.487 0.012 0.000 1.159 12 N HN -0.118 nan 8.380 nan 0.000 0.514 13 T N -0.051 114.513 114.554 0.017 0.000 2.918 13 T HA 0.408 4.758 4.350 0.000 0.000 0.283 13 T C -0.271 174.442 174.700 0.022 0.000 1.001 13 T CA 0.045 62.157 62.100 0.019 0.000 1.041 13 T CB 1.274 70.154 68.868 0.021 0.000 1.028 13 T HN 0.087 nan 8.240 nan 0.000 0.511 14 T N 1.520 116.089 114.554 0.025 0.000 2.823 14 T HA 0.574 4.924 4.350 0.000 0.000 0.279 14 T C 0.931 175.647 174.700 0.027 0.000 0.998 14 T CA -0.645 61.471 62.100 0.028 0.000 0.994 14 T CB 1.510 70.399 68.868 0.035 0.000 0.960 14 T HN 0.869 nan 8.240 nan 0.000 0.448 15 T N -1.103 113.445 114.554 -0.011 0.000 3.451 15 T HA 0.185 4.535 4.350 0.000 0.000 0.201 15 T C 0.164 174.747 174.700 -0.196 0.000 0.965 15 T CA -0.327 61.716 62.100 -0.095 0.000 1.088 15 T CB -0.176 68.436 68.868 -0.426 0.000 1.251 15 T HN 0.543 nan 8.240 nan 0.000 0.325 16 H N 3.646 122.653 119.070 -0.104 0.000 2.899 16 H HA 0.504 5.060 4.556 0.000 0.000 0.303 16 H C 0.199 175.558 175.328 0.052 0.000 1.042 16 H CA 0.740 56.767 56.048 -0.035 0.000 1.479 16 H CB 0.464 30.182 29.762 -0.073 0.000 1.493 16 H HN 0.718 nan 8.280 nan 0.000 0.534 17 T N -0.125 114.558 114.554 0.214 0.000 2.916 17 T HA 0.269 4.619 4.350 0.000 0.000 0.292 17 T C 0.100 174.929 174.700 0.215 0.000 1.055 17 T CA -1.362 60.855 62.100 0.196 0.000 1.009 17 T CB 2.257 71.247 68.868 0.203 0.000 1.118 17 T HN 0.406 nan 8.240 nan 0.000 0.497 18 K N 0.967 121.451 120.400 0.140 0.000 2.405 18 K HA 0.124 4.444 4.320 0.000 0.000 0.276 18 K C 0.375 177.035 176.600 0.099 0.000 1.099 18 K CA -0.469 55.880 56.287 0.102 0.000 1.120 18 K CB -0.564 31.970 32.500 0.055 0.000 0.877 18 K HN 0.754 nan 8.250 nan 0.000 0.472 19 C N 4.860 124.227 119.300 0.112 0.000 2.676 19 C HA 0.104 4.564 4.460 0.000 0.000 0.416 19 C C 1.943 176.869 174.990 -0.106 0.000 1.299 19 C CA -0.358 58.686 59.018 0.043 0.000 2.048 19 C CB 0.143 27.963 27.740 0.134 0.000 2.713 19 C HN 1.103 nan 8.230 nan 0.000 0.624 20 R N 2.147 122.492 120.500 -0.258 0.000 2.075 20 R HA -0.023 4.317 4.340 0.000 0.000 0.226 20 R C 2.512 178.575 176.300 -0.394 0.000 1.114 20 R CA 1.264 57.181 56.100 -0.306 0.000 0.972 20 R CB -0.306 29.789 30.300 -0.342 0.000 0.869 20 R HN 0.860 nan 8.270 nan 0.000 0.437 21 R N 0.238 120.370 120.500 -0.614 0.000 2.057 21 R HA -0.091 4.249 4.340 0.000 0.000 0.224 21 R C 2.369 178.519 176.300 -0.251 0.000 1.136 21 R CA 1.756 57.525 56.100 -0.552 0.000 0.968 21 R CB -0.334 29.465 30.300 -0.836 0.000 0.863 21 R HN 0.460 nan 8.270 nan 0.000 0.433 22 C N -1.641 117.571 119.300 -0.147 0.000 2.735 22 C HA 0.479 4.939 4.460 0.000 0.000 0.271 22 C C 1.668 176.633 174.990 -0.041 0.000 1.281 22 C CA 0.231 59.212 59.018 -0.061 0.000 1.719 22 C CB 0.029 27.769 27.740 0.000 0.000 2.024 22 C HN 0.734 nan 8.230 nan 0.000 0.566 23 G N 0.466 109.239 108.800 -0.045 0.000 2.225 23 G HA2 -0.186 3.774 3.960 0.000 0.000 0.254 23 G HA3 -0.186 3.774 3.960 0.000 0.000 0.254 23 G C -0.156 174.751 174.900 0.012 0.000 0.988 23 G CA 0.498 45.584 45.100 -0.024 0.000 0.625 23 G HN 0.636 nan 8.290 nan 0.000 0.527 24 E N 0.568 120.786 120.200 0.032 0.000 2.366 24 E HA 0.231 4.581 4.350 0.000 0.000 0.266 24 E C 0.634 177.282 176.600 0.080 0.000 1.051 24 E CA -0.423 56.006 56.400 0.048 0.000 0.884 24 E CB 0.947 30.677 29.700 0.050 0.000 1.006 24 E HN 0.412 nan 8.360 nan 0.000 0.417 25 K N 1.703 122.146 120.400 0.072 0.000 2.449 25 K HA 0.083 4.403 4.320 0.000 0.000 0.237 25 K C -0.324 176.353 176.600 0.129 0.000 1.265 25 K CA 0.172 56.521 56.287 0.104 0.000 1.193 25 K CB -0.271 32.274 32.500 0.075 0.000 1.515 25 K HN 0.170 nan 8.250 nan 0.000 0.259 26 S N 1.379 117.193 115.700 0.188 0.000 2.780 26 S HA 0.016 4.487 4.470 0.000 0.000 0.248 26 S C -0.798 174.048 174.600 0.411 0.000 1.036 26 S CA -0.501 57.832 58.200 0.221 0.000 1.061 26 S CB -0.013 63.263 63.200 0.127 0.000 1.037 26 S HN 0.508 nan 8.310 nan 0.000 0.584 27 Y N 3.730 124.174 120.300 0.239 0.000 2.539 27 Y HA 0.240 4.790 4.550 0.000 0.000 0.352 27 Y C 0.463 176.473 175.900 0.183 0.000 1.004 27 Y CA -0.858 57.374 58.100 0.221 0.000 1.278 27 Y CB -0.297 38.280 38.460 0.194 0.000 1.136 27 Y HN 0.281 nan 8.280 nan 0.000 0.528 28 H N 4.649 123.504 119.070 -0.358 0.000 3.291 28 H HA 0.001 4.557 4.556 0.000 0.000 0.256 28 H C 1.449 176.459 175.328 -0.531 0.000 1.315 28 H CA 0.184 55.930 56.048 -0.503 0.000 1.521 28 H CB 0.736 30.218 29.762 -0.467 0.000 1.621 28 H HN 0.910 nan 8.280 nan 0.000 0.498 29 T N 3.171 117.656 114.554 -0.116 0.000 2.918 29 T HA -0.134 4.216 4.350 0.000 0.000 0.271 29 T C 1.674 176.288 174.700 -0.143 0.000 1.104 29 T CA 1.394 63.443 62.100 -0.085 0.000 1.114 29 T CB 0.007 68.915 68.868 0.067 0.000 0.855 29 T HN 0.620 nan 8.240 nan 0.000 0.518 30 K N -0.164 120.093 120.400 -0.239 0.000 2.284 30 K HA 0.140 4.460 4.320 0.000 0.000 0.198 30 K C 2.045 178.378 176.600 -0.444 0.000 1.048 30 K CA 0.527 56.614 56.287 -0.333 0.000 0.987 30 K CB 0.232 32.516 32.500 -0.361 0.000 0.800 30 K HN 0.303 nan 8.250 nan 0.000 0.486 31 K N 0.482 120.508 120.400 -0.624 0.000 2.354 31 K HA 0.085 4.405 4.320 0.000 0.000 0.194 31 K C -0.192 176.203 176.600 -0.342 0.000 1.038 31 K CA -0.063 55.958 56.287 -0.445 0.000 1.052 31 K CB 0.561 32.803 32.500 -0.430 0.000 0.861 31 K HN -0.175 nan 8.250 nan 0.000 0.535 32 K N 0.767 120.885 120.400 -0.469 0.000 3.148 32 K HA -0.143 4.177 4.320 0.000 0.000 0.267 32 K C -0.865 175.489 176.600 -0.409 0.000 0.996 32 K CA 0.458 56.444 56.287 -0.502 0.000 0.737 32 K CB -2.247 30.184 32.500 -0.114 0.000 1.308 32 K HN 0.049 nan 8.250 nan 0.000 0.470 33 V N -0.449 119.157 119.914 -0.513 0.000 2.888 33 V HA 0.293 4.413 4.120 0.000 0.000 0.309 33 V C -0.140 175.952 176.094 -0.002 0.000 1.114 33 V CA -1.168 61.051 62.300 -0.135 0.000 0.940 33 V CB 2.697 34.481 31.823 -0.064 0.000 1.021 33 V HN 0.438 nan 8.190 nan 0.000 0.426 34 C N 3.082 122.536 119.300 0.257 0.000 2.307 34 C HA 0.466 4.926 4.460 0.000 0.000 0.340 34 C C 1.964 177.099 174.990 0.241 0.000 1.275 34 C CA 0.343 59.572 59.018 0.352 0.000 1.811 34 C CB 0.690 28.707 27.740 0.462 0.000 2.372 34 C HN 1.135 nan 8.230 nan 0.000 0.531 35 S N 3.364 119.203 115.700 0.231 0.000 2.453 35 S HA -0.091 4.379 4.470 0.000 0.000 0.231 35 S C 1.687 176.379 174.600 0.154 0.000 1.005 35 S CA 1.529 59.836 58.200 0.178 0.000 0.949 35 S CB -0.139 63.136 63.200 0.125 0.000 0.774 35 S HN 0.823 nan 8.310 nan 0.000 0.510 36 S N 0.730 116.521 115.700 0.151 0.000 2.339 36 S HA -0.017 4.453 4.470 0.000 0.000 0.213 36 S C 2.019 176.691 174.600 0.120 0.000 1.033 36 S CA 0.801 59.074 58.200 0.121 0.000 0.950 36 S CB -0.647 62.611 63.200 0.096 0.000 0.893 36 S HN 0.888 nan 8.310 nan 0.000 0.492 37 C N 1.183 120.564 119.300 0.135 0.000 2.791 37 C HA 0.641 5.101 4.460 0.000 0.000 0.270 37 C C 1.707 176.787 174.990 0.150 0.000 1.257 37 C CA 0.009 59.096 59.018 0.114 0.000 1.699 37 C CB -0.994 26.806 27.740 0.100 0.000 1.904 37 C HN 0.871 nan 8.230 nan 0.000 0.603 38 G N 0.838 109.749 108.800 0.184 0.000 2.203 38 G HA2 -0.309 3.651 3.960 0.000 0.000 0.263 38 G HA3 -0.309 3.651 3.960 0.000 0.000 0.263 38 G C -0.167 174.857 174.900 0.208 0.000 1.012 38 G CA 0.419 45.623 45.100 0.173 0.000 0.749 38 G HN 0.928 nan 8.290 nan 0.000 0.512 39 F N 0.814 120.838 119.950 0.124 0.000 2.563 39 F HA 0.440 4.967 4.527 0.000 0.000 0.363 39 F C 1.454 177.366 175.800 0.187 0.000 1.123 39 F CA 0.603 58.676 58.000 0.121 0.000 1.307 39 F CB 0.821 39.878 39.000 0.096 0.000 1.115 39 F HN 1.079 nan 8.300 nan 0.000 0.592 40 G N 4.306 112.683 108.800 -0.704 0.000 2.176 40 G HA2 -0.347 3.613 3.960 0.000 0.000 0.253 40 G HA3 -0.347 3.613 3.960 0.000 0.000 0.253 40 G C 0.978 175.759 174.900 -0.198 0.000 0.979 40 G CA 0.591 45.343 45.100 -0.580 0.000 0.641 40 G HN 0.842 nan 8.290 nan 0.000 0.530 41 K N -0.032 120.320 120.400 -0.081 0.000 2.410 41 K HA 0.355 4.675 4.320 0.000 0.000 0.204 41 K C 1.006 177.608 176.600 0.004 0.000 1.268 41 K CA 1.100 57.374 56.287 -0.020 0.000 0.896 41 K CB 0.415 32.929 32.500 0.024 0.000 1.401 41 K HN 0.770 nan 8.250 nan 0.000 0.479 42 S N -0.821 114.898 115.700 0.032 0.000 2.542 42 S HA 0.590 5.060 4.470 0.000 0.000 0.293 42 S C 0.610 175.246 174.600 0.060 0.000 1.089 42 S CA -0.407 57.815 58.200 0.037 0.000 0.961 42 S CB 1.890 65.109 63.200 0.031 0.000 1.062 42 S HN 0.245 nan 8.310 nan 0.000 0.483 43 A N 2.427 125.276 122.820 0.048 0.000 1.969 43 A HA 0.094 4.414 4.320 0.000 0.000 0.218 43 A C 1.016 178.633 177.584 0.055 0.000 1.169 43 A CA 0.882 52.957 52.037 0.063 0.000 0.635 43 A CB -0.563 18.462 19.000 0.041 0.000 0.810 43 A HN 0.827 nan 8.150 nan 0.000 0.445 44 K N 0.050 120.467 120.400 0.027 0.000 2.138 44 K HA 0.307 4.627 4.320 0.000 0.000 0.251 44 K C -0.188 176.415 176.600 0.006 0.000 1.015 44 K CA -0.635 55.654 56.287 0.003 0.000 0.917 44 K CB 0.432 32.919 32.500 -0.023 0.000 1.021 44 K HN 0.134 nan 8.250 nan 0.000 0.485 45 R N 2.068 122.557 120.500 -0.019 0.000 2.340 45 R HA 0.088 4.428 4.340 0.000 0.000 0.300 45 R C 0.117 176.373 176.300 -0.073 0.000 1.069 45 R CA -0.343 55.744 56.100 -0.021 0.000 0.984 45 R CB 0.814 31.095 30.300 -0.032 0.000 1.003 45 R HN 0.575 nan 8.270 nan 0.000 0.459 46 R N 2.248 122.718 120.500 -0.050 0.000 2.458 46 R HA -0.061 4.279 4.340 0.000 0.000 0.303 46 R C -0.878 175.290 176.300 -0.221 0.000 1.013 46 R CA 0.641 56.667 56.100 -0.123 0.000 1.026 46 R CB 0.180 30.495 30.300 0.025 0.000 0.948 46 R HN 0.660 nan 8.270 nan 0.000 0.417 47 D N 3.096 123.203 120.400 -0.488 0.000 2.837 47 D HA 0.309 4.949 4.640 0.000 0.000 0.220 47 D C -1.901 173.874 176.300 -0.875 0.000 1.236 47 D CA -0.410 53.310 54.000 -0.468 0.000 0.838 47 D CB 0.897 41.523 40.800 -0.289 0.000 1.647 47 D HN 0.437 nan 8.370 nan 0.000 0.486 48 Y N 0.947 120.963 120.300 -0.473 0.000 2.534 48 Y HA 0.289 4.839 4.550 0.000 0.000 0.345 48 Y C 0.874 176.403 175.900 -0.618 0.000 1.031 48 Y CA -0.854 56.812 58.100 -0.723 0.000 1.022 48 Y CB 2.227 39.723 38.460 -1.607 0.000 1.292 48 Y HN 0.323 nan 8.280 nan 0.000 0.459 49 E N 1.836 121.874 120.200 -0.270 0.000 2.347 49 E HA -0.097 4.253 4.350 0.000 0.000 0.196 49 E C 1.188 177.781 176.600 -0.010 0.000 1.008 49 E CA 0.734 57.070 56.400 -0.106 0.000 0.852 49 E CB 0.036 29.734 29.700 -0.002 0.000 0.783 49 E HN 0.782 nan 8.360 nan 0.000 0.505 50 W N 0.288 121.652 121.300 0.108 0.000 3.377 50 W HA 0.164 4.824 4.660 0.000 0.000 0.277 50 W C 0.449 177.002 176.519 0.056 0.000 1.311 50 W CA -0.268 57.113 57.345 0.061 0.000 1.703 50 W CB -0.412 29.066 29.460 0.030 0.000 1.095 50 W HN -0.010 nan 8.180 nan 0.000 0.715 51 Q N 1.835 121.674 119.800 0.065 0.000 2.322 51 Q HA 0.039 4.379 4.340 0.000 0.000 0.203 51 Q C 0.464 176.515 176.000 0.085 0.000 0.923 51 Q CA 0.415 56.270 55.803 0.087 0.000 0.949 51 Q CB 0.316 29.001 28.738 -0.088 0.000 1.039 51 Q HN 0.205 nan 8.270 nan 0.000 0.496 52 S N -1.328 114.431 115.700 0.098 0.000 2.565 52 S HA 0.393 4.863 4.470 0.000 0.000 0.269 52 S C -1.026 173.624 174.600 0.083 0.000 1.153 52 S CA -1.254 56.988 58.200 0.070 0.000 0.835 52 S CB 1.506 64.725 63.200 0.032 0.000 1.122 52 S HN -0.166 nan 8.310 nan 0.000 0.462 53 K N 1.258 121.696 120.400 0.063 0.000 2.448 53 K HA 0.327 4.647 4.320 0.000 0.000 0.278 53 K C 1.720 178.352 176.600 0.054 0.000 1.009 53 K CA 0.506 56.828 56.287 0.058 0.000 0.995 53 K CB 0.496 33.021 32.500 0.041 0.000 0.917 53 K HN 0.869 nan 8.250 nan 0.000 0.481 54 A N 3.422 126.277 122.820 0.059 0.000 1.954 54 A HA -0.203 4.117 4.320 0.000 0.000 0.222 54 A C 1.505 179.111 177.584 0.037 0.000 1.199 54 A CA 2.375 54.444 52.037 0.054 0.000 0.657 54 A CB -0.633 18.397 19.000 0.050 0.000 0.823 54 A HN 0.741 nan 8.150 nan 0.000 0.463 55 G N -1.019 107.800 108.800 0.031 0.000 4.084 55 G HA2 0.480 4.440 3.960 0.000 0.000 0.293 55 G HA3 0.480 4.440 3.960 0.000 0.000 0.293 55 G C -0.101 174.811 174.900 0.019 0.000 1.303 55 G CA 0.527 45.641 45.100 0.022 0.000 1.289 55 G HN 0.620 nan 8.290 nan 0.000 0.609 56 E N 0.000 120.212 120.200 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 0.016 0.000 0.000 56 E CB 0.000 29.711 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000