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 1vqn_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 0.599 109.400 108.800 0.001 0.000 2.491 2 G HA2 0.485 4.446 3.960 0.000 0.000 0.242 2 G HA3 0.485 4.446 3.960 0.000 0.000 0.242 2 G C 1.051 175.952 174.900 0.001 0.000 1.266 2 G CA -0.099 45.002 45.100 0.001 0.000 0.844 2 G HN 1.043 nan 8.290 nan 0.000 0.571 3 A N 1.771 124.592 122.820 0.001 0.000 2.167 3 A HA 0.321 4.641 4.320 0.000 0.000 0.214 3 A C 1.831 179.416 177.584 0.003 0.000 1.151 3 A CA 1.469 53.507 52.037 0.002 0.000 0.735 3 A CB -0.346 18.655 19.000 0.001 0.000 0.802 3 A HN 0.908 nan 8.150 nan 0.000 0.467 4 G N -1.134 107.667 108.800 0.002 0.000 3.229 4 G HA2 0.238 4.198 3.960 0.000 0.000 0.165 4 G HA3 0.238 4.198 3.960 0.000 0.000 0.165 4 G C 1.196 176.098 174.900 0.003 0.000 1.753 4 G CA 0.860 45.962 45.100 0.003 0.000 1.054 4 G HN 0.200 nan 8.290 nan 0.000 0.544 5 T N 2.691 117.246 114.554 0.003 0.000 2.620 5 T HA -0.151 4.199 4.350 0.000 0.000 0.267 5 T C 0.114 174.816 174.700 0.003 0.000 1.044 5 T CA 2.237 64.339 62.100 0.003 0.000 1.161 5 T CB -1.212 67.658 68.868 0.003 0.000 0.862 5 T HN 0.374 nan 8.240 nan 0.000 0.438 6 P HA -0.001 nan 4.420 nan 0.000 0.216 6 P C 1.371 178.673 177.300 0.003 0.000 1.150 6 P CA 1.152 64.253 63.100 0.003 0.000 0.837 6 P CB -0.151 31.550 31.700 0.002 0.000 0.786 7 S N -0.434 115.268 115.700 0.003 0.000 2.561 7 S HA -0.014 4.456 4.470 0.000 0.000 0.225 7 S C 1.733 176.336 174.600 0.005 0.000 0.977 7 S CA 0.502 58.705 58.200 0.004 0.000 0.926 7 S CB -0.402 62.800 63.200 0.004 0.000 0.769 7 S HN 0.196 nan 8.310 nan 0.000 0.533 8 Q N 0.478 120.281 119.800 0.005 0.000 2.389 8 Q HA 0.152 4.492 4.340 0.000 0.000 0.204 8 Q C 2.155 178.158 176.000 0.006 0.000 0.944 8 Q CA 0.681 56.488 55.803 0.006 0.000 0.908 8 Q CB -0.763 27.979 28.738 0.006 0.000 1.002 8 Q HN 0.563 nan 8.270 nan 0.000 0.493 9 G N 1.185 109.987 108.800 0.005 0.000 2.471 9 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 9 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 9 G C 1.347 176.250 174.900 0.004 0.000 1.125 9 G CA 0.180 45.283 45.100 0.004 0.000 0.775 9 G HN 0.258 nan 8.290 nan 0.000 0.548 10 K N 0.238 120.640 120.400 0.004 0.000 2.487 10 K HA 0.070 4.390 4.320 0.000 0.000 0.192 10 K C 0.284 176.886 176.600 0.004 0.000 1.027 10 K CA 0.145 56.434 56.287 0.003 0.000 1.054 10 K CB 0.218 32.720 32.500 0.003 0.000 0.824 10 K HN 0.180 nan 8.250 nan 0.000 0.510 11 K N 2.815 123.218 120.400 0.005 0.000 2.183 11 K HA 0.048 4.368 4.320 0.000 0.000 0.272 11 K C 0.131 176.733 176.600 0.003 0.000 1.113 11 K CA -0.121 56.169 56.287 0.006 0.000 0.949 11 K CB 0.150 32.656 32.500 0.009 0.000 1.365 11 K HN 0.142 nan 8.250 nan 0.000 0.420 12 N N 0.540 119.240 118.700 0.000 0.000 2.387 12 N HA 0.001 4.741 4.740 0.000 0.000 0.259 12 N C -0.692 174.813 175.510 -0.008 0.000 1.369 12 N CA -0.436 52.613 53.050 -0.002 0.000 0.867 12 N CB 0.610 39.097 38.487 -0.001 0.000 1.341 12 N HN 0.019 nan 8.380 nan 0.000 0.495 13 T N 0.446 114.992 114.554 -0.012 0.000 2.909 13 T HA 0.381 4.731 4.350 0.000 0.000 0.286 13 T C -0.232 174.444 174.700 -0.040 0.000 1.002 13 T CA 0.202 62.286 62.100 -0.025 0.000 1.074 13 T CB 1.520 70.372 68.868 -0.027 0.000 0.984 13 T HN 0.021 nan 8.240 nan 0.000 0.495 14 T N 2.130 116.648 114.554 -0.060 0.000 2.758 14 T HA 0.473 4.823 4.350 0.000 0.000 0.285 14 T C 1.147 175.743 174.700 -0.174 0.000 0.981 14 T CA -0.622 61.429 62.100 -0.080 0.000 0.965 14 T CB 1.112 69.948 68.868 -0.052 0.000 0.927 14 T HN 0.861 nan 8.240 nan 0.000 0.448 15 T N -0.405 113.991 114.554 -0.263 0.000 3.393 15 T HA 0.181 4.531 4.350 0.000 0.000 0.231 15 T C 0.442 174.747 174.700 -0.658 0.000 0.983 15 T CA -0.202 61.514 62.100 -0.639 0.000 1.272 15 T CB -0.164 68.212 68.868 -0.821 0.000 1.214 15 T HN 0.529 nan 8.240 nan 0.000 0.368 16 H N 3.420 122.346 119.070 -0.240 0.000 2.819 16 H HA 0.517 5.073 4.556 0.000 0.000 0.303 16 H C 0.283 175.608 175.328 -0.005 0.000 1.058 16 H CA 0.634 56.634 56.048 -0.080 0.000 1.471 16 H CB 0.610 30.372 29.762 0.000 0.000 1.480 16 H HN 0.692 nan 8.280 nan 0.000 0.517 17 T N -0.137 114.510 114.554 0.156 0.000 2.887 17 T HA 0.303 4.653 4.350 0.000 0.000 0.292 17 T C 0.041 174.863 174.700 0.203 0.000 1.087 17 T CA -1.334 60.861 62.100 0.159 0.000 1.009 17 T CB 2.266 71.224 68.868 0.150 0.000 1.203 17 T HN 0.393 nan 8.240 nan 0.000 0.518 18 K N 0.382 120.860 120.400 0.131 0.000 2.472 18 K HA 0.190 4.510 4.320 0.000 0.000 0.280 18 K C -0.053 176.599 176.600 0.087 0.000 1.028 18 K CA -0.466 55.876 56.287 0.093 0.000 1.045 18 K CB -0.186 32.341 32.500 0.045 0.000 0.902 18 K HN 0.741 nan 8.250 nan 0.000 0.478 19 C N 5.698 125.042 119.300 0.072 0.000 2.514 19 C HA 0.220 4.680 4.460 0.000 0.000 0.392 19 C C 1.912 176.804 174.990 -0.164 0.000 1.294 19 C CA -0.567 58.441 59.018 -0.017 0.000 1.957 19 C CB 0.103 27.889 27.740 0.077 0.000 2.541 19 C HN 1.099 nan 8.230 nan 0.000 0.569 20 R N 2.700 123.019 120.500 -0.301 0.000 2.091 20 R HA -0.120 4.220 4.340 0.000 0.000 0.238 20 R C 2.428 178.470 176.300 -0.429 0.000 1.136 20 R CA 1.806 57.712 56.100 -0.322 0.000 0.959 20 R CB -0.243 29.867 30.300 -0.317 0.000 0.856 20 R HN 0.841 nan 8.270 nan 0.000 0.437 21 R N -0.023 120.067 120.500 -0.684 0.000 2.062 21 R HA -0.098 4.242 4.340 0.000 0.000 0.226 21 R C 2.310 178.432 176.300 -0.297 0.000 1.125 21 R CA 1.769 57.490 56.100 -0.632 0.000 0.966 21 R CB -0.118 29.598 30.300 -0.973 0.000 0.861 21 R HN 0.500 nan 8.270 nan 0.000 0.433 22 C N -2.703 116.482 119.300 -0.193 0.000 3.019 22 C HA 0.531 4.991 4.460 0.000 0.000 0.295 22 C C 1.510 176.462 174.990 -0.062 0.000 1.256 22 C CA 0.176 59.138 59.018 -0.095 0.000 1.706 22 C CB 0.327 28.044 27.740 -0.039 0.000 2.153 22 C HN 0.672 nan 8.230 nan 0.000 0.618 23 G N 0.695 109.458 108.800 -0.063 0.000 2.195 23 G HA2 -0.163 3.797 3.960 0.000 0.000 0.246 23 G HA3 -0.163 3.797 3.960 0.000 0.000 0.246 23 G C -0.238 174.662 174.900 0.000 0.000 0.984 23 G CA 0.420 45.500 45.100 -0.034 0.000 0.633 23 G HN 0.612 nan 8.290 nan 0.000 0.525 24 E N 0.329 120.541 120.200 0.020 0.000 2.349 24 E HA 0.291 4.641 4.350 0.000 0.000 0.265 24 E C 0.480 177.126 176.600 0.077 0.000 1.064 24 E CA -0.565 55.861 56.400 0.044 0.000 0.886 24 E CB 1.017 30.747 29.700 0.051 0.000 1.036 24 E HN 0.348 nan 8.360 nan 0.000 0.413 25 K N 1.404 121.849 120.400 0.075 0.000 2.737 25 K HA 0.118 4.438 4.320 0.000 0.000 0.251 25 K C -0.280 176.406 176.600 0.144 0.000 1.280 25 K CA 0.135 56.484 56.287 0.105 0.000 1.219 25 K CB -0.259 32.287 32.500 0.076 0.000 1.587 25 K HN 0.183 nan 8.250 nan 0.000 0.279 26 S N 0.804 116.624 115.700 0.200 0.000 2.733 26 S HA 0.015 4.485 4.470 0.000 0.000 0.247 26 S C -0.705 174.159 174.600 0.439 0.000 1.043 26 S CA -0.492 57.863 58.200 0.259 0.000 1.066 26 S CB -0.002 63.290 63.200 0.153 0.000 1.045 26 S HN 0.484 nan 8.310 nan 0.000 0.586 27 Y N 3.683 124.125 120.300 0.236 0.000 2.531 27 Y HA 0.277 4.827 4.550 0.000 0.000 0.347 27 Y C 0.340 176.336 175.900 0.161 0.000 1.024 27 Y CA -1.077 57.152 58.100 0.216 0.000 1.306 27 Y CB -0.341 38.226 38.460 0.179 0.000 1.149 27 Y HN 0.229 nan 8.280 nan 0.000 0.527 28 H N 4.375 123.266 119.070 -0.298 0.000 3.157 28 H HA 0.054 4.610 4.556 0.000 0.000 0.260 28 H C 1.489 176.500 175.328 -0.529 0.000 1.232 28 H CA 0.660 56.431 56.048 -0.462 0.000 1.488 28 H CB 0.660 30.179 29.762 -0.406 0.000 1.548 28 H HN 0.867 nan 8.280 nan 0.000 0.487 29 T N 2.990 117.309 114.554 -0.392 0.000 2.996 29 T HA -0.136 4.214 4.350 0.000 0.000 0.271 29 T C 1.636 176.254 174.700 -0.137 0.000 1.126 29 T CA 1.604 63.566 62.100 -0.229 0.000 1.103 29 T CB -0.005 68.812 68.868 -0.085 0.000 0.870 29 T HN 0.622 nan 8.240 nan 0.000 0.528 30 K N -0.362 120.008 120.400 -0.050 0.000 2.244 30 K HA 0.159 4.479 4.320 0.000 0.000 0.200 30 K C 2.221 178.848 176.600 0.044 0.000 1.052 30 K CA 0.558 56.874 56.287 0.049 0.000 0.980 30 K CB 0.235 32.798 32.500 0.105 0.000 0.838 30 K HN 0.220 nan 8.250 nan 0.000 0.481 31 K N 0.481 120.929 120.400 0.079 0.000 2.356 31 K HA 0.082 4.402 4.320 0.000 0.000 0.195 31 K C -0.151 176.355 176.600 -0.156 0.000 1.037 31 K CA 0.149 56.364 56.287 -0.119 0.000 1.014 31 K CB 0.461 32.784 32.500 -0.296 0.000 0.815 31 K HN -0.155 nan 8.250 nan 0.000 0.507 32 K N 0.484 120.720 120.400 -0.274 0.000 3.096 32 K HA -0.133 4.187 4.320 0.000 0.000 0.266 32 K C -1.098 175.318 176.600 -0.305 0.000 1.043 32 K CA 0.438 56.474 56.287 -0.419 0.000 0.758 32 K CB -2.324 30.119 32.500 -0.095 0.000 1.260 32 K HN 0.050 nan 8.250 nan 0.000 0.481 33 V N 0.218 119.938 119.914 -0.322 0.000 2.623 33 V HA 0.196 4.316 4.120 0.000 0.000 0.304 33 V C 0.183 176.333 176.094 0.093 0.000 1.054 33 V CA -1.204 61.072 62.300 -0.039 0.000 0.882 33 V CB 2.309 34.112 31.823 -0.032 0.000 1.002 33 V HN 0.451 nan 8.190 nan 0.000 0.424 34 C N 4.452 123.954 119.300 0.336 0.000 2.482 34 C HA 0.339 4.799 4.460 0.000 0.000 0.378 34 C C 2.024 177.173 174.990 0.266 0.000 1.284 34 C CA 0.365 59.619 59.018 0.394 0.000 1.826 34 C CB 0.149 28.173 27.740 0.474 0.000 2.473 34 C HN 1.118 nan 8.230 nan 0.000 0.562 35 S N 3.448 119.302 115.700 0.257 0.000 2.481 35 S HA -0.098 4.372 4.470 0.000 0.000 0.231 35 S C 1.710 176.410 174.600 0.167 0.000 0.996 35 S CA 1.410 59.728 58.200 0.197 0.000 0.942 35 S CB -0.143 63.163 63.200 0.177 0.000 0.768 35 S HN 0.850 nan 8.310 nan 0.000 0.520 36 S N 0.596 116.392 115.700 0.161 0.000 2.398 36 S HA -0.003 4.467 4.470 0.000 0.000 0.220 36 S C 1.946 176.614 174.600 0.113 0.000 1.046 36 S CA 0.758 59.032 58.200 0.124 0.000 0.953 36 S CB -0.494 62.764 63.200 0.097 0.000 0.856 36 S HN 0.889 nan 8.310 nan 0.000 0.506 37 C N 0.061 119.437 119.300 0.127 0.000 3.070 37 C HA 0.703 5.163 4.460 0.000 0.000 0.280 37 C C 1.792 176.860 174.990 0.131 0.000 1.264 37 C CA 0.268 59.344 59.018 0.098 0.000 1.690 37 C CB -0.471 27.311 27.740 0.069 0.000 2.049 37 C HN 0.818 nan 8.230 nan 0.000 0.636 38 G N 0.472 109.380 108.800 0.181 0.000 2.179 38 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 38 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 38 G C -0.154 174.885 174.900 0.232 0.000 0.977 38 G CA 0.232 45.438 45.100 0.177 0.000 0.641 38 G HN 0.776 nan 8.290 nan 0.000 0.533 39 F N 1.673 121.691 119.950 0.113 0.000 2.608 39 F HA 0.395 4.922 4.527 0.000 0.000 0.380 39 F C 1.566 177.477 175.800 0.184 0.000 1.083 39 F CA 1.425 59.496 58.000 0.119 0.000 1.266 39 F CB 0.558 39.616 39.000 0.096 0.000 1.076 39 F HN 1.169 nan 8.300 nan 0.000 0.574 40 G N 4.460 113.045 108.800 -0.359 0.000 2.213 40 G HA2 -0.332 3.628 3.960 0.000 0.000 0.236 40 G HA3 -0.332 3.628 3.960 0.000 0.000 0.236 40 G C 1.105 175.944 174.900 -0.103 0.000 0.991 40 G CA 0.453 45.369 45.100 -0.307 0.000 0.629 40 G HN 0.746 nan 8.290 nan 0.000 0.517 41 K N 0.255 120.645 120.400 -0.017 0.000 2.344 41 K HA 0.388 4.708 4.320 0.000 0.000 0.200 41 K C 0.888 177.502 176.600 0.022 0.000 1.132 41 K CA 1.274 57.569 56.287 0.012 0.000 0.935 41 K CB 0.439 32.969 32.500 0.049 0.000 1.089 41 K HN 0.827 nan 8.250 nan 0.000 0.496 42 S N -1.376 114.352 115.700 0.047 0.000 2.546 42 S HA 0.560 5.030 4.470 0.000 0.000 0.274 42 S C 0.406 175.048 174.600 0.069 0.000 1.121 42 S CA -0.455 57.773 58.200 0.046 0.000 0.887 42 S CB 1.802 65.026 63.200 0.039 0.000 1.094 42 S HN 0.156 nan 8.310 nan 0.000 0.474 43 A N 2.297 125.149 122.820 0.053 0.000 1.930 43 A HA 0.125 4.445 4.320 0.000 0.000 0.217 43 A C 1.052 178.667 177.584 0.053 0.000 1.175 43 A CA 0.909 52.985 52.037 0.065 0.000 0.627 43 A CB -0.576 18.449 19.000 0.041 0.000 0.815 43 A HN 0.804 nan 8.150 nan 0.000 0.443 44 K N 0.199 120.615 120.400 0.027 0.000 2.219 44 K HA 0.238 4.558 4.320 0.000 0.000 0.258 44 K C -0.212 176.389 176.600 0.003 0.000 1.008 44 K CA -0.540 55.748 56.287 0.002 0.000 0.928 44 K CB 0.344 32.832 32.500 -0.021 0.000 0.983 44 K HN 0.132 nan 8.250 nan 0.000 0.484 45 R N 2.124 122.609 120.500 -0.025 0.000 2.390 45 R HA 0.096 4.436 4.340 0.000 0.000 0.291 45 R C 0.115 176.364 176.300 -0.085 0.000 1.070 45 R CA -0.286 55.794 56.100 -0.032 0.000 1.014 45 R CB 0.638 30.911 30.300 -0.045 0.000 1.007 45 R HN 0.571 nan 8.270 nan 0.000 0.466 46 R N 2.049 122.511 120.500 -0.064 0.000 2.458 46 R HA -0.031 4.309 4.340 0.000 0.000 0.303 46 R C -0.862 175.275 176.300 -0.271 0.000 1.013 46 R CA 0.716 56.733 56.100 -0.138 0.000 1.026 46 R CB 0.221 30.530 30.300 0.016 0.000 0.948 46 R HN 0.414 nan 8.270 nan 0.000 0.417 47 D N 2.532 122.575 120.400 -0.595 0.000 2.655 47 D HA 0.383 5.023 4.640 0.000 0.000 0.229 47 D C -1.710 173.900 176.300 -1.150 0.000 1.229 47 D CA -0.267 53.365 54.000 -0.613 0.000 0.807 47 D CB 1.154 41.728 40.800 -0.376 0.000 1.514 47 D HN 0.403 nan 8.370 nan 0.000 0.444 48 Y N 0.327 120.339 120.300 -0.480 0.000 2.519 48 Y HA 0.180 4.730 4.550 0.000 0.000 0.336 48 Y C 1.000 176.536 175.900 -0.607 0.000 1.089 48 Y CA -0.744 56.926 58.100 -0.717 0.000 1.025 48 Y CB 1.916 39.396 38.460 -1.634 0.000 1.318 48 Y HN 0.146 nan 8.280 nan 0.000 0.452 49 E N 1.988 122.059 120.200 -0.215 0.000 2.347 49 E HA -0.111 4.239 4.350 0.000 0.000 0.196 49 E C 1.451 178.058 176.600 0.013 0.000 1.008 49 E CA 0.909 57.263 56.400 -0.077 0.000 0.852 49 E CB 0.009 29.718 29.700 0.016 0.000 0.783 49 E HN 0.829 nan 8.360 nan 0.000 0.505 50 W N 0.431 121.796 121.300 0.108 0.000 3.077 50 W HA 0.074 4.734 4.660 0.000 0.000 0.245 50 W C 0.751 177.306 176.519 0.059 0.000 1.316 50 W CA -0.131 57.251 57.345 0.062 0.000 1.537 50 W CB -0.492 28.987 29.460 0.031 0.000 1.131 50 W HN 0.028 nan 8.180 nan 0.000 0.695 51 Q N 1.737 121.548 119.800 0.019 0.000 2.515 51 Q HA -0.023 4.317 4.340 0.000 0.000 0.212 51 Q C 0.751 176.798 176.000 0.078 0.000 0.970 51 Q CA 0.872 56.702 55.803 0.044 0.000 0.941 51 Q CB 0.121 28.767 28.738 -0.153 0.000 0.998 51 Q HN 0.257 nan 8.270 nan 0.000 0.518 52 S N -1.560 114.193 115.700 0.088 0.000 2.625 52 S HA 0.417 4.887 4.470 0.000 0.000 0.271 52 S C -0.970 173.679 174.600 0.081 0.000 1.161 52 S CA -1.241 57.000 58.200 0.067 0.000 0.820 52 S CB 1.586 64.803 63.200 0.028 0.000 1.137 52 S HN -0.192 nan 8.310 nan 0.000 0.470 53 K N 0.834 121.270 120.400 0.060 0.000 2.414 53 K HA 0.371 4.691 4.320 0.000 0.000 0.272 53 K C 1.640 178.271 176.600 0.052 0.000 0.993 53 K CA 0.492 56.813 56.287 0.056 0.000 0.964 53 K CB 0.508 33.032 32.500 0.040 0.000 0.925 53 K HN 0.809 nan 8.250 nan 0.000 0.487 54 A N 3.049 125.902 122.820 0.055 0.000 1.873 54 A HA -0.160 4.160 4.320 0.000 0.000 0.218 54 A C 1.742 179.346 177.584 0.035 0.000 1.193 54 A CA 2.270 54.337 52.037 0.050 0.000 0.629 54 A CB -0.833 18.196 19.000 0.048 0.000 0.826 54 A HN 0.762 nan 8.150 nan 0.000 0.447 55 G N -1.040 107.777 108.800 0.028 0.000 3.279 55 G HA2 0.376 4.336 3.960 0.000 0.000 0.230 55 G HA3 0.376 4.336 3.960 0.000 0.000 0.230 55 G C 0.198 175.109 174.900 0.017 0.000 1.230 55 G CA 0.612 45.724 45.100 0.021 0.000 0.891 55 G HN 0.662 nan 8.290 nan 0.000 0.518 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 0.014 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