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 3ccj_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 0.117 108.918 108.800 0.001 0.000 2.403 2 G HA2 0.496 4.456 3.960 0.000 0.000 0.259 2 G HA3 0.496 4.456 3.960 0.000 0.000 0.259 2 G C 1.033 175.934 174.900 0.001 0.000 1.244 2 G CA -0.012 45.088 45.100 0.001 0.000 0.849 2 G HN 1.020 nan 8.290 nan 0.000 0.532 3 A N 2.145 124.966 122.820 0.001 0.000 2.216 3 A HA 0.257 4.577 4.320 0.000 0.000 0.214 3 A C 1.847 179.432 177.584 0.001 0.000 1.160 3 A CA 1.498 53.536 52.037 0.001 0.000 0.725 3 A CB -0.329 18.671 19.000 0.001 0.000 0.784 3 A HN 0.873 nan 8.150 nan 0.000 0.472 4 G N -1.091 107.709 108.800 0.001 0.000 3.311 4 G HA2 0.213 4.173 3.960 0.000 0.000 0.169 4 G HA3 0.213 4.173 3.960 0.000 0.000 0.169 4 G C 1.228 176.129 174.900 0.002 0.000 1.852 4 G CA 0.855 45.956 45.100 0.001 0.000 1.010 4 G HN 0.245 nan 8.290 nan 0.000 0.530 5 T N 2.628 117.183 114.554 0.002 0.000 2.653 5 T HA -0.124 4.226 4.350 0.000 0.000 0.268 5 T C 0.040 174.741 174.700 0.003 0.000 1.035 5 T CA 2.016 64.118 62.100 0.002 0.000 1.154 5 T CB -1.162 67.707 68.868 0.002 0.000 0.862 5 T HN 0.347 nan 8.240 nan 0.000 0.441 6 P HA 0.021 nan 4.420 nan 0.000 0.215 6 P C 1.372 178.674 177.300 0.003 0.000 1.157 6 P CA 1.074 64.176 63.100 0.003 0.000 0.863 6 P CB -0.178 31.523 31.700 0.002 0.000 0.787 7 S N -0.121 115.581 115.700 0.003 0.000 2.603 7 S HA -0.025 4.445 4.470 0.000 0.000 0.229 7 S C 1.729 176.332 174.600 0.005 0.000 0.972 7 S CA 0.525 58.727 58.200 0.004 0.000 0.935 7 S CB -0.502 62.700 63.200 0.004 0.000 0.769 7 S HN 0.218 nan 8.310 nan 0.000 0.536 8 Q N 0.277 120.080 119.800 0.005 0.000 2.354 8 Q HA 0.143 4.483 4.340 0.000 0.000 0.203 8 Q C 2.245 178.249 176.000 0.007 0.000 0.933 8 Q CA 0.709 56.515 55.803 0.006 0.000 0.901 8 Q CB -0.535 28.206 28.738 0.005 0.000 1.007 8 Q HN 0.580 nan 8.270 nan 0.000 0.495 9 G N 1.239 110.042 108.800 0.006 0.000 2.448 9 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 9 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 9 G C 1.373 176.277 174.900 0.007 0.000 1.135 9 G CA 0.159 45.263 45.100 0.006 0.000 0.784 9 G HN 0.255 nan 8.290 nan 0.000 0.543 10 K N 0.455 120.859 120.400 0.007 0.000 2.504 10 K HA 0.031 4.351 4.320 0.000 0.000 0.195 10 K C 0.596 177.201 176.600 0.010 0.000 1.036 10 K CA 0.285 56.577 56.287 0.008 0.000 0.984 10 K CB 0.108 32.613 32.500 0.007 0.000 0.788 10 K HN 0.185 nan 8.250 nan 0.000 0.488 11 K N 2.874 123.280 120.400 0.010 0.000 2.243 11 K HA 0.007 4.327 4.320 0.000 0.000 0.232 11 K C 0.233 176.841 176.600 0.014 0.000 1.237 11 K CA -0.035 56.260 56.287 0.013 0.000 1.161 11 K CB -0.217 32.290 32.500 0.013 0.000 1.505 11 K HN 0.181 nan 8.250 nan 0.000 0.271 12 N N -0.094 118.614 118.700 0.014 0.000 2.338 12 N HA -0.006 4.734 4.740 0.000 0.000 0.251 12 N C -0.690 174.830 175.510 0.017 0.000 1.199 12 N CA -0.396 52.662 53.050 0.014 0.000 0.879 12 N CB 0.662 39.157 38.487 0.012 0.000 1.159 12 N HN -0.111 nan 8.380 nan 0.000 0.514 13 T N 0.539 115.104 114.554 0.018 0.000 2.799 13 T HA 0.294 4.644 4.350 0.000 0.000 0.286 13 T C -0.233 174.481 174.700 0.024 0.000 0.973 13 T CA 0.082 62.195 62.100 0.021 0.000 1.035 13 T CB 1.386 70.268 68.868 0.023 0.000 0.932 13 T HN 0.043 nan 8.240 nan 0.000 0.469 14 T N 2.552 117.122 114.554 0.027 0.000 2.845 14 T HA 0.479 4.829 4.350 0.000 0.000 0.288 14 T C 1.233 175.950 174.700 0.029 0.000 0.980 14 T CA -0.454 61.664 62.100 0.030 0.000 1.071 14 T CB 1.072 69.961 68.868 0.036 0.000 0.941 14 T HN 0.883 nan 8.240 nan 0.000 0.487 15 T N -0.631 113.924 114.554 0.001 0.000 3.469 15 T HA 0.146 4.496 4.350 0.000 0.000 0.242 15 T C 0.265 174.853 174.700 -0.187 0.000 0.994 15 T CA -0.270 61.790 62.100 -0.066 0.000 1.152 15 T CB -0.082 68.620 68.868 -0.276 0.000 1.205 15 T HN 0.528 nan 8.240 nan 0.000 0.372 16 H N 3.544 122.567 119.070 -0.078 0.000 2.800 16 H HA 0.547 5.103 4.556 0.000 0.000 0.291 16 H C 0.219 175.581 175.328 0.056 0.000 1.076 16 H CA 0.580 56.611 56.048 -0.029 0.000 1.452 16 H CB 0.765 30.483 29.762 -0.073 0.000 1.461 16 H HN 0.687 nan 8.280 nan 0.000 0.488 17 T N -0.097 114.590 114.554 0.223 0.000 2.926 17 T HA 0.279 4.629 4.350 0.000 0.000 0.289 17 T C 0.166 174.992 174.700 0.211 0.000 1.054 17 T CA -1.341 60.880 62.100 0.203 0.000 1.015 17 T CB 2.156 71.150 68.868 0.210 0.000 1.167 17 T HN 0.381 nan 8.240 nan 0.000 0.526 18 K N 0.909 121.389 120.400 0.133 0.000 2.402 18 K HA 0.194 4.514 4.320 0.000 0.000 0.279 18 K C 0.309 176.951 176.600 0.069 0.000 1.082 18 K CA -0.570 55.770 56.287 0.088 0.000 1.080 18 K CB -0.663 31.864 32.500 0.045 0.000 0.899 18 K HN 0.753 nan 8.250 nan 0.000 0.469 19 C N 4.969 124.316 119.300 0.079 0.000 2.662 19 C HA 0.128 4.588 4.460 0.000 0.000 0.420 19 C C 1.918 176.819 174.990 -0.148 0.000 1.314 19 C CA -0.383 58.626 59.018 -0.015 0.000 1.963 19 C CB 0.121 27.920 27.740 0.099 0.000 2.686 19 C HN 1.127 nan 8.230 nan 0.000 0.609 20 R N 2.349 122.677 120.500 -0.288 0.000 2.075 20 R HA -0.062 4.278 4.340 0.000 0.000 0.232 20 R C 2.551 178.603 176.300 -0.413 0.000 1.126 20 R CA 1.532 57.448 56.100 -0.307 0.000 0.963 20 R CB -0.304 29.828 30.300 -0.280 0.000 0.858 20 R HN 0.869 nan 8.270 nan 0.000 0.435 21 R N 0.229 120.314 120.500 -0.692 0.000 2.056 21 R HA -0.117 4.223 4.340 0.000 0.000 0.227 21 R C 2.496 178.620 176.300 -0.293 0.000 1.149 21 R CA 1.925 57.651 56.100 -0.624 0.000 0.937 21 R CB -0.399 29.327 30.300 -0.957 0.000 0.835 21 R HN 0.491 nan 8.270 nan 0.000 0.430 22 C N -1.925 117.259 119.300 -0.194 0.000 2.512 22 C HA 0.444 4.904 4.460 0.000 0.000 0.276 22 C C 1.645 176.596 174.990 -0.065 0.000 1.368 22 C CA 0.211 59.174 59.018 -0.092 0.000 1.755 22 C CB -0.162 27.560 27.740 -0.031 0.000 2.008 22 C HN 0.740 nan 8.230 nan 0.000 0.511 23 G N 0.463 109.224 108.800 -0.065 0.000 2.157 23 G HA2 -0.154 3.806 3.960 0.000 0.000 0.248 23 G HA3 -0.154 3.806 3.960 0.000 0.000 0.248 23 G C -0.280 174.618 174.900 -0.003 0.000 0.979 23 G CA 0.384 45.461 45.100 -0.038 0.000 0.650 23 G HN 0.653 nan 8.290 nan 0.000 0.529 24 E N 0.109 120.320 120.200 0.018 0.000 2.277 24 E HA 0.281 4.631 4.350 0.000 0.000 0.274 24 E C 0.415 177.058 176.600 0.071 0.000 1.022 24 E CA -0.728 55.694 56.400 0.037 0.000 0.853 24 E CB 1.183 30.906 29.700 0.039 0.000 1.086 24 E HN 0.311 nan 8.360 nan 0.000 0.397 25 K N 1.464 121.904 120.400 0.066 0.000 2.449 25 K HA 0.089 4.409 4.320 0.000 0.000 0.237 25 K C -0.411 176.265 176.600 0.127 0.000 1.265 25 K CA 0.227 56.573 56.287 0.099 0.000 1.193 25 K CB -0.306 32.237 32.500 0.071 0.000 1.515 25 K HN 0.162 nan 8.250 nan 0.000 0.259 26 S N 1.823 117.638 115.700 0.191 0.000 3.031 26 S HA 0.032 4.502 4.470 0.000 0.000 0.253 26 S C -1.204 173.648 174.600 0.420 0.000 0.996 26 S CA -0.512 57.830 58.200 0.238 0.000 1.098 26 S CB -0.000 63.275 63.200 0.125 0.000 1.042 26 S HN 0.501 nan 8.310 nan 0.000 0.593 27 Y N 3.217 123.666 120.300 0.247 0.000 2.518 27 Y HA 0.338 4.888 4.550 0.000 0.000 0.344 27 Y C 0.343 176.347 175.900 0.173 0.000 0.982 27 Y CA -1.065 57.167 58.100 0.220 0.000 1.234 27 Y CB -0.166 38.410 38.460 0.193 0.000 1.114 27 Y HN 0.325 nan 8.280 nan 0.000 0.515 28 H N 4.206 123.117 119.070 -0.265 0.000 3.289 28 H HA -0.017 4.539 4.556 0.000 0.000 0.248 28 H C 1.290 176.331 175.328 -0.477 0.000 1.175 28 H CA 0.267 56.032 56.048 -0.471 0.000 1.496 28 H CB 0.780 30.268 29.762 -0.457 0.000 1.571 28 H HN 0.843 nan 8.280 nan 0.000 0.495 29 T N 3.373 117.877 114.554 -0.085 0.000 3.139 29 T HA -0.057 4.293 4.350 0.000 0.000 0.267 29 T C 1.529 176.154 174.700 -0.125 0.000 1.164 29 T CA 1.095 63.147 62.100 -0.080 0.000 1.075 29 T CB -0.035 68.882 68.868 0.082 0.000 0.904 29 T HN 0.627 nan 8.240 nan 0.000 0.540 30 K N -0.426 119.838 120.400 -0.227 0.000 2.335 30 K HA 0.205 4.525 4.320 0.000 0.000 0.195 30 K C 2.064 178.428 176.600 -0.394 0.000 1.058 30 K CA 0.291 56.401 56.287 -0.295 0.000 0.988 30 K CB 0.358 32.663 32.500 -0.324 0.000 0.880 30 K HN 0.215 nan 8.250 nan 0.000 0.513 31 K N 0.482 120.547 120.400 -0.558 0.000 2.334 31 K HA 0.083 4.403 4.320 0.000 0.000 0.195 31 K C -0.190 176.199 176.600 -0.351 0.000 1.045 31 K CA 0.093 56.126 56.287 -0.423 0.000 1.004 31 K CB 0.551 32.798 32.500 -0.422 0.000 0.837 31 K HN -0.157 nan 8.250 nan 0.000 0.510 32 K N 0.716 120.812 120.400 -0.506 0.000 3.150 32 K HA -0.138 4.182 4.320 0.000 0.000 0.267 32 K C -1.025 175.226 176.600 -0.583 0.000 1.028 32 K CA 0.419 56.295 56.287 -0.685 0.000 0.753 32 K CB -2.212 30.162 32.500 -0.211 0.000 1.288 32 K HN 0.039 nan 8.250 nan 0.000 0.473 33 V N 0.204 119.763 119.914 -0.592 0.000 2.711 33 V HA 0.145 4.265 4.120 0.000 0.000 0.304 33 V C 0.001 176.122 176.094 0.044 0.000 1.097 33 V CA -1.208 61.005 62.300 -0.146 0.000 0.906 33 V CB 2.349 34.136 31.823 -0.060 0.000 1.015 33 V HN 0.483 nan 8.190 nan 0.000 0.427 34 C N 4.581 124.074 119.300 0.321 0.000 2.555 34 C HA 0.295 4.755 4.460 0.000 0.000 0.385 34 C C 2.040 177.183 174.990 0.256 0.000 1.296 34 C CA 0.366 59.615 59.018 0.386 0.000 1.757 34 C CB -0.111 27.905 27.740 0.460 0.000 2.445 34 C HN 1.124 nan 8.230 nan 0.000 0.571 35 S N 3.418 119.263 115.700 0.241 0.000 2.515 35 S HA -0.096 4.374 4.470 0.000 0.000 0.231 35 S C 1.652 176.341 174.600 0.148 0.000 0.987 35 S CA 1.438 59.750 58.200 0.186 0.000 0.936 35 S CB -0.097 63.194 63.200 0.152 0.000 0.766 35 S HN 0.848 nan 8.310 nan 0.000 0.528 36 S N 0.383 116.169 115.700 0.144 0.000 2.444 36 S HA 0.032 4.502 4.470 0.000 0.000 0.223 36 S C 1.831 176.491 174.600 0.100 0.000 1.054 36 S CA 0.592 58.856 58.200 0.107 0.000 0.947 36 S CB -0.380 62.869 63.200 0.081 0.000 0.850 36 S HN 0.885 nan 8.310 nan 0.000 0.527 37 C N 0.827 120.199 119.300 0.121 0.000 3.038 37 C HA 0.677 5.137 4.460 0.000 0.000 0.279 37 C C 1.658 176.731 174.990 0.138 0.000 1.276 37 C CA 0.085 59.161 59.018 0.097 0.000 1.697 37 C CB -0.794 26.991 27.740 0.074 0.000 2.032 37 C HN 0.800 nan 8.230 nan 0.000 0.636 38 G N 1.118 110.025 108.800 0.178 0.000 2.225 38 G HA2 -0.303 3.657 3.960 0.000 0.000 0.267 38 G HA3 -0.303 3.657 3.960 0.000 0.000 0.267 38 G C -0.215 174.824 174.900 0.231 0.000 1.024 38 G CA 0.416 45.622 45.100 0.177 0.000 0.784 38 G HN 0.884 nan 8.290 nan 0.000 0.507 39 F N 0.931 120.957 119.950 0.128 0.000 2.578 39 F HA 0.444 4.971 4.527 0.000 0.000 0.376 39 F C 1.453 177.373 175.800 0.201 0.000 1.085 39 F CA 0.531 58.613 58.000 0.137 0.000 1.260 39 F CB 0.763 39.838 39.000 0.126 0.000 1.095 39 F HN 1.029 nan 8.300 nan 0.000 0.573 40 G N 4.587 113.158 108.800 -0.383 0.000 2.213 40 G HA2 -0.324 3.636 3.960 0.000 0.000 0.236 40 G HA3 -0.324 3.636 3.960 0.000 0.000 0.236 40 G C 1.094 175.922 174.900 -0.120 0.000 0.991 40 G CA 0.482 45.362 45.100 -0.367 0.000 0.629 40 G HN 0.755 nan 8.290 nan 0.000 0.517 41 K N -0.188 120.200 120.400 -0.021 0.000 2.312 41 K HA 0.405 4.725 4.320 0.000 0.000 0.206 41 K C 0.786 177.401 176.600 0.026 0.000 1.121 41 K CA 0.886 57.178 56.287 0.009 0.000 0.923 41 K CB 0.455 32.980 32.500 0.042 0.000 1.162 41 K HN 0.312 nan 8.250 nan 0.000 0.478 42 S N -0.408 115.324 115.700 0.052 0.000 2.472 42 S HA 0.510 4.981 4.470 0.000 0.000 0.303 42 S C 0.307 174.947 174.600 0.068 0.000 1.099 42 S CA -0.320 57.908 58.200 0.047 0.000 1.077 42 S CB 1.758 64.977 63.200 0.032 0.000 1.031 42 S HN 0.330 nan 8.310 nan 0.000 0.487 43 A N 4.595 127.445 122.820 0.050 0.000 2.119 43 A HA 0.157 4.477 4.320 0.000 0.000 0.217 43 A C 0.926 178.538 177.584 0.047 0.000 1.153 43 A CA 0.910 52.983 52.037 0.060 0.000 0.692 43 A CB -0.162 18.861 19.000 0.039 0.000 0.799 43 A HN 0.758 nan 8.150 nan 0.000 0.458 44 K N -0.406 120.009 120.400 0.025 0.000 2.148 44 K HA 0.447 4.767 4.320 0.000 0.000 0.239 44 K C -0.211 176.389 176.600 -0.000 0.000 1.018 44 K CA -0.937 55.350 56.287 -0.001 0.000 0.923 44 K CB 0.505 32.989 32.500 -0.027 0.000 1.117 44 K HN 0.025 nan 8.250 nan 0.000 0.477 45 R N 1.764 122.247 120.500 -0.030 0.000 2.349 45 R HA 0.150 4.490 4.340 0.000 0.000 0.299 45 R C -0.086 176.162 176.300 -0.086 0.000 1.027 45 R CA -0.452 55.627 56.100 -0.035 0.000 0.958 45 R CB 0.998 31.271 30.300 -0.046 0.000 1.047 45 R HN 0.559 nan 8.270 nan 0.000 0.468 46 R N 2.217 122.676 120.500 -0.068 0.000 2.343 46 R HA 0.013 4.353 4.340 0.000 0.000 0.326 46 R C -0.946 175.218 176.300 -0.228 0.000 1.055 46 R CA 0.273 56.283 56.100 -0.151 0.000 0.961 46 R CB 0.126 30.417 30.300 -0.014 0.000 0.978 46 R HN 0.617 nan 8.270 nan 0.000 0.443 47 D N 3.510 123.641 120.400 -0.449 0.000 2.859 47 D HA 0.278 4.918 4.640 0.000 0.000 0.223 47 D C -1.868 173.996 176.300 -0.726 0.000 1.218 47 D CA -0.383 53.369 54.000 -0.413 0.000 0.850 47 D CB 0.940 41.585 40.800 -0.259 0.000 1.656 47 D HN 0.426 nan 8.370 nan 0.000 0.484 48 Y N 0.939 120.959 120.300 -0.468 0.000 2.512 48 Y HA 0.296 4.846 4.550 0.000 0.000 0.348 48 Y C 1.117 176.665 175.900 -0.585 0.000 0.990 48 Y CA -0.834 56.849 58.100 -0.694 0.000 1.033 48 Y CB 2.339 39.894 38.460 -1.508 0.000 1.259 48 Y HN 0.335 nan 8.280 nan 0.000 0.461 49 E N 1.951 122.022 120.200 -0.215 0.000 2.268 49 E HA -0.128 4.222 4.350 0.000 0.000 0.195 49 E C 1.303 177.909 176.600 0.010 0.000 0.995 49 E CA 0.858 57.214 56.400 -0.074 0.000 0.836 49 E CB 0.010 29.724 29.700 0.024 0.000 0.763 49 E HN 0.797 nan 8.360 nan 0.000 0.491 50 W N 0.557 121.917 121.300 0.100 0.000 3.292 50 W HA 0.125 4.785 4.660 0.000 0.000 0.263 50 W C 0.531 177.079 176.519 0.049 0.000 1.318 50 W CA -0.188 57.188 57.345 0.052 0.000 1.663 50 W CB -0.397 29.074 29.460 0.018 0.000 1.114 50 W HN -0.002 nan 8.180 nan 0.000 0.706 51 Q N 1.805 121.628 119.800 0.037 0.000 2.365 51 Q HA 0.030 4.370 4.340 0.000 0.000 0.203 51 Q C 0.507 176.548 176.000 0.068 0.000 0.929 51 Q CA 0.413 56.248 55.803 0.054 0.000 0.948 51 Q CB 0.348 29.012 28.738 -0.123 0.000 1.043 51 Q HN 0.169 nan 8.270 nan 0.000 0.505 52 S N -0.811 114.939 115.700 0.082 0.000 2.541 52 S HA 0.418 4.888 4.470 0.000 0.000 0.271 52 S C -0.759 173.890 174.600 0.082 0.000 1.133 52 S CA -1.206 57.031 58.200 0.062 0.000 0.876 52 S CB 1.859 65.076 63.200 0.027 0.000 1.105 52 S HN -0.150 nan 8.310 nan 0.000 0.470 53 K N 1.677 122.115 120.400 0.064 0.000 2.451 53 K HA 0.274 4.594 4.320 0.000 0.000 0.280 53 K C 1.766 178.399 176.600 0.055 0.000 1.020 53 K CA 0.591 56.914 56.287 0.060 0.000 1.008 53 K CB 0.484 33.010 32.500 0.042 0.000 0.917 53 K HN 0.884 nan 8.250 nan 0.000 0.478 54 A N 4.013 126.870 122.820 0.061 0.000 1.865 54 A HA -0.257 4.063 4.320 0.000 0.000 0.244 54 A C 1.504 179.112 177.584 0.040 0.000 1.984 54 A CA 2.544 54.613 52.037 0.054 0.000 0.785 54 A CB -1.228 17.800 19.000 0.046 0.000 0.849 54 A HN 0.786 nan 8.150 nan 0.000 0.501 55 G N -0.618 108.201 108.800 0.031 0.000 3.581 55 G HA2 0.461 4.421 3.960 0.000 0.000 0.255 55 G HA3 0.461 4.421 3.960 0.000 0.000 0.255 55 G C -0.042 174.870 174.900 0.020 0.000 1.121 55 G CA 0.709 45.822 45.100 0.023 0.000 1.739 55 G HN 0.750 nan 8.290 nan 0.000 0.646 56 E N 0.000 120.213 120.200 0.022 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