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 3g71_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 0.000 174.701 174.700 0.001 0.000 1.109 1 T CA 0.000 62.101 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 0.537 109.338 108.800 0.001 0.000 2.432 2 G HA2 0.510 4.470 3.960 0.000 0.000 0.257 2 G HA3 0.510 4.470 3.960 0.000 0.000 0.257 2 G C 0.989 175.890 174.900 0.001 0.000 1.238 2 G CA -0.166 44.934 45.100 0.001 0.000 0.838 2 G HN 1.050 nan 8.290 nan 0.000 0.547 3 A N 1.746 124.567 122.820 0.001 0.000 2.206 3 A HA 0.343 4.663 4.320 0.000 0.000 0.211 3 A C 1.811 179.397 177.584 0.002 0.000 1.158 3 A CA 1.369 53.407 52.037 0.002 0.000 0.761 3 A CB -0.296 18.705 19.000 0.001 0.000 0.801 3 A HN 0.879 nan 8.150 nan 0.000 0.473 4 G N -0.932 107.869 108.800 0.002 0.000 3.311 4 G HA2 0.208 4.168 3.960 0.000 0.000 0.169 4 G HA3 0.208 4.168 3.960 0.000 0.000 0.169 4 G C 1.218 176.120 174.900 0.003 0.000 1.852 4 G CA 0.900 46.001 45.100 0.002 0.000 1.010 4 G HN 0.226 nan 8.290 nan 0.000 0.530 5 T N 2.523 117.078 114.554 0.002 0.000 2.699 5 T HA -0.091 4.259 4.350 0.000 0.000 0.268 5 T C -0.092 174.609 174.700 0.003 0.000 1.036 5 T CA 1.828 63.930 62.100 0.003 0.000 1.147 5 T CB -0.969 67.900 68.868 0.002 0.000 0.862 5 T HN 0.360 nan 8.240 nan 0.000 0.446 6 P HA 0.165 nan 4.420 nan 0.000 0.229 6 P C 1.026 178.328 177.300 0.003 0.000 1.160 6 P CA 0.731 63.833 63.100 0.003 0.000 0.777 6 P CB 0.028 31.729 31.700 0.002 0.000 0.814 7 S N -0.202 115.500 115.700 0.003 0.000 2.558 7 S HA 0.025 4.495 4.470 0.000 0.000 0.217 7 S C 1.689 176.292 174.600 0.005 0.000 0.975 7 S CA 0.301 58.504 58.200 0.004 0.000 0.912 7 S CB -0.238 62.964 63.200 0.004 0.000 0.776 7 S HN 0.137 nan 8.310 nan 0.000 0.526 8 Q N 0.762 120.565 119.800 0.005 0.000 2.389 8 Q HA 0.146 4.486 4.340 0.000 0.000 0.204 8 Q C 2.129 178.133 176.000 0.005 0.000 0.944 8 Q CA 0.766 56.572 55.803 0.006 0.000 0.908 8 Q CB -0.860 27.881 28.738 0.005 0.000 1.002 8 Q HN 0.562 nan 8.270 nan 0.000 0.493 9 G N 1.028 109.831 108.800 0.005 0.000 2.471 9 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 9 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 9 G C 1.391 176.294 174.900 0.004 0.000 1.125 9 G CA 0.253 45.355 45.100 0.004 0.000 0.775 9 G HN 0.286 nan 8.290 nan 0.000 0.548 10 K N 0.259 120.661 120.400 0.005 0.000 2.459 10 K HA 0.069 4.389 4.320 0.000 0.000 0.193 10 K C 0.557 177.160 176.600 0.005 0.000 1.030 10 K CA 0.145 56.435 56.287 0.005 0.000 1.026 10 K CB 0.191 32.694 32.500 0.005 0.000 0.809 10 K HN 0.167 nan 8.250 nan 0.000 0.504 11 K N 2.779 123.182 120.400 0.006 0.000 2.121 11 K HA 0.010 4.330 4.320 0.000 0.000 0.235 11 K C 0.112 176.715 176.600 0.005 0.000 1.200 11 K CA 0.022 56.313 56.287 0.007 0.000 1.115 11 K CB -0.158 32.347 32.500 0.009 0.000 1.474 11 K HN 0.180 nan 8.250 nan 0.000 0.295 12 N N -0.354 118.348 118.700 0.003 0.000 2.241 12 N HA -0.017 4.723 4.740 0.000 0.000 0.238 12 N C -0.528 174.980 175.510 -0.003 0.000 1.244 12 N CA -0.409 52.641 53.050 0.001 0.000 0.880 12 N CB 0.513 39.001 38.487 0.002 0.000 1.179 12 N HN -0.067 nan 8.380 nan 0.000 0.513 13 T N 0.287 114.837 114.554 -0.006 0.000 2.909 13 T HA 0.309 4.659 4.350 0.000 0.000 0.289 13 T C -0.219 174.464 174.700 -0.029 0.000 1.005 13 T CA 0.180 62.270 62.100 -0.016 0.000 1.084 13 T CB 1.406 70.264 68.868 -0.016 0.000 0.975 13 T HN 0.010 nan 8.240 nan 0.000 0.509 14 T N 2.117 116.646 114.554 -0.042 0.000 2.758 14 T HA 0.482 4.832 4.350 0.000 0.000 0.285 14 T C 1.151 175.771 174.700 -0.132 0.000 0.981 14 T CA -0.575 61.491 62.100 -0.058 0.000 0.965 14 T CB 1.011 69.861 68.868 -0.029 0.000 0.927 14 T HN 0.884 nan 8.240 nan 0.000 0.448 15 T N -0.208 114.214 114.554 -0.221 0.000 3.393 15 T HA 0.185 4.535 4.350 0.000 0.000 0.231 15 T C 0.440 174.800 174.700 -0.567 0.000 0.983 15 T CA -0.208 61.554 62.100 -0.563 0.000 1.272 15 T CB -0.164 68.183 68.868 -0.867 0.000 1.214 15 T HN 0.534 nan 8.240 nan 0.000 0.368 16 H N 3.565 122.481 119.070 -0.256 0.000 2.878 16 H HA 0.479 5.035 4.556 0.000 0.000 0.290 16 H C 0.308 175.634 175.328 -0.004 0.000 1.065 16 H CA 0.641 56.633 56.048 -0.093 0.000 1.477 16 H CB 0.434 30.175 29.762 -0.035 0.000 1.484 16 H HN 0.687 nan 8.280 nan 0.000 0.504 17 T N 0.079 114.725 114.554 0.154 0.000 2.907 17 T HA 0.309 4.659 4.350 0.000 0.000 0.290 17 T C 0.114 174.931 174.700 0.196 0.000 1.066 17 T CA -1.327 60.869 62.100 0.160 0.000 1.012 17 T CB 2.235 71.198 68.868 0.158 0.000 1.184 17 T HN 0.364 nan 8.240 nan 0.000 0.522 18 K N 0.248 120.724 120.400 0.127 0.000 2.447 18 K HA 0.248 4.568 4.320 0.000 0.000 0.281 18 K C -0.139 176.504 176.600 0.071 0.000 1.031 18 K CA -0.524 55.815 56.287 0.087 0.000 1.019 18 K CB -0.097 32.428 32.500 0.040 0.000 0.918 18 K HN 0.728 nan 8.250 nan 0.000 0.476 19 C N 5.342 124.677 119.300 0.059 0.000 2.514 19 C HA 0.220 4.680 4.460 0.000 0.000 0.392 19 C C 1.892 176.777 174.990 -0.176 0.000 1.294 19 C CA -0.529 58.467 59.018 -0.036 0.000 1.957 19 C CB 0.042 27.826 27.740 0.074 0.000 2.541 19 C HN 1.059 nan 8.230 nan 0.000 0.569 20 R N 2.243 122.552 120.500 -0.317 0.000 2.105 20 R HA -0.104 4.236 4.340 0.000 0.000 0.239 20 R C 2.450 178.481 176.300 -0.448 0.000 1.135 20 R CA 1.648 57.543 56.100 -0.342 0.000 0.967 20 R CB -0.176 29.921 30.300 -0.339 0.000 0.861 20 R HN 0.789 nan 8.270 nan 0.000 0.442 21 R N -0.079 120.003 120.500 -0.697 0.000 2.057 21 R HA -0.088 4.252 4.340 0.000 0.000 0.224 21 R C 2.353 178.478 176.300 -0.293 0.000 1.136 21 R CA 1.731 57.460 56.100 -0.619 0.000 0.968 21 R CB -0.129 29.615 30.300 -0.927 0.000 0.863 21 R HN 0.463 nan 8.270 nan 0.000 0.433 22 C N -2.355 116.829 119.300 -0.193 0.000 2.865 22 C HA 0.499 4.959 4.460 0.000 0.000 0.280 22 C C 1.513 176.466 174.990 -0.061 0.000 1.255 22 C CA 0.224 59.186 59.018 -0.093 0.000 1.705 22 C CB 0.230 27.949 27.740 -0.035 0.000 2.080 22 C HN 0.689 nan 8.230 nan 0.000 0.591 23 G N 0.680 109.442 108.800 -0.063 0.000 2.176 23 G HA2 -0.161 3.799 3.960 0.000 0.000 0.253 23 G HA3 -0.161 3.799 3.960 0.000 0.000 0.253 23 G C -0.261 174.640 174.900 0.001 0.000 0.979 23 G CA 0.454 45.533 45.100 -0.035 0.000 0.641 23 G HN 0.631 nan 8.290 nan 0.000 0.530 24 E N 0.218 120.432 120.200 0.024 0.000 2.319 24 E HA 0.279 4.629 4.350 0.000 0.000 0.268 24 E C 0.440 177.090 176.600 0.083 0.000 1.050 24 E CA -0.662 55.766 56.400 0.048 0.000 0.878 24 E CB 1.045 30.778 29.700 0.055 0.000 1.066 24 E HN 0.290 nan 8.360 nan 0.000 0.406 25 K N 1.528 121.976 120.400 0.079 0.000 2.715 25 K HA 0.100 4.420 4.320 0.000 0.000 0.248 25 K C -0.280 176.413 176.600 0.155 0.000 1.276 25 K CA 0.157 56.509 56.287 0.109 0.000 1.209 25 K CB -0.275 32.270 32.500 0.075 0.000 1.509 25 K HN 0.187 nan 8.250 nan 0.000 0.261 26 S N 0.676 116.509 115.700 0.220 0.000 2.780 26 S HA 0.021 4.491 4.470 0.000 0.000 0.248 26 S C -0.681 174.194 174.600 0.459 0.000 1.036 26 S CA -0.487 57.902 58.200 0.315 0.000 1.061 26 S CB 0.033 63.352 63.200 0.199 0.000 1.037 26 S HN 0.459 nan 8.310 nan 0.000 0.584 27 Y N 3.582 124.020 120.300 0.230 0.000 2.539 27 Y HA 0.283 4.833 4.550 0.000 0.000 0.352 27 Y C 0.350 176.311 175.900 0.102 0.000 1.004 27 Y CA -1.029 57.184 58.100 0.189 0.000 1.278 27 Y CB -0.373 38.191 38.460 0.173 0.000 1.136 27 Y HN 0.236 nan 8.280 nan 0.000 0.528 28 H N 4.097 122.943 119.070 -0.373 0.000 3.160 28 H HA 0.034 4.590 4.556 0.000 0.000 0.257 28 H C 1.437 176.440 175.328 -0.541 0.000 1.140 28 H CA 0.558 56.296 56.048 -0.516 0.000 1.492 28 H CB 0.818 30.291 29.762 -0.481 0.000 1.529 28 H HN 0.835 nan 8.280 nan 0.000 0.490 29 T N 3.343 117.734 114.554 -0.272 0.000 3.077 29 T HA -0.077 4.273 4.350 0.000 0.000 0.269 29 T C 1.480 176.143 174.700 -0.060 0.000 1.146 29 T CA 1.276 63.291 62.100 -0.142 0.000 1.091 29 T CB 0.003 68.854 68.868 -0.028 0.000 0.892 29 T HN 0.624 nan 8.240 nan 0.000 0.533 30 K N -0.216 120.222 120.400 0.062 0.000 2.313 30 K HA 0.180 4.500 4.320 0.000 0.000 0.197 30 K C 2.098 178.682 176.600 -0.026 0.000 1.061 30 K CA 0.396 56.720 56.287 0.063 0.000 0.980 30 K CB 0.274 32.850 32.500 0.127 0.000 0.888 30 K HN 0.216 nan 8.250 nan 0.000 0.502 31 K N 0.628 120.974 120.400 -0.091 0.000 2.356 31 K HA 0.078 4.398 4.320 0.000 0.000 0.195 31 K C -0.042 176.425 176.600 -0.222 0.000 1.037 31 K CA 0.090 56.239 56.287 -0.230 0.000 1.014 31 K CB 0.435 32.689 32.500 -0.410 0.000 0.815 31 K HN -0.150 nan 8.250 nan 0.000 0.507 32 K N 0.244 120.452 120.400 -0.319 0.000 3.129 32 K HA -0.138 4.182 4.320 0.000 0.000 0.273 32 K C -0.902 175.455 176.600 -0.406 0.000 1.123 32 K CA 0.461 56.489 56.287 -0.431 0.000 0.800 32 K CB -2.378 30.046 32.500 -0.128 0.000 1.238 32 K HN 0.045 nan 8.250 nan 0.000 0.492 33 V N 0.133 119.800 119.914 -0.413 0.000 2.656 33 V HA 0.298 4.418 4.120 0.000 0.000 0.307 33 V C 0.170 176.256 176.094 -0.013 0.000 1.051 33 V CA -1.135 61.084 62.300 -0.135 0.000 0.893 33 V CB 2.468 34.240 31.823 -0.084 0.000 0.999 33 V HN 0.390 nan 8.190 nan 0.000 0.426 34 C N 3.774 123.224 119.300 0.250 0.000 2.347 34 C HA 0.408 4.868 4.460 0.000 0.000 0.353 34 C C 1.927 177.068 174.990 0.252 0.000 1.273 34 C CA 0.264 59.493 59.018 0.352 0.000 1.861 34 C CB 0.540 28.566 27.740 0.476 0.000 2.420 34 C HN 1.099 nan 8.230 nan 0.000 0.542 35 S N 3.241 119.100 115.700 0.264 0.000 2.522 35 S HA -0.071 4.399 4.470 0.000 0.000 0.227 35 S C 1.564 176.274 174.600 0.183 0.000 0.986 35 S CA 1.309 59.642 58.200 0.222 0.000 0.929 35 S CB -0.064 63.282 63.200 0.243 0.000 0.769 35 S HN 0.831 nan 8.310 nan 0.000 0.529 36 S N 0.533 116.338 115.700 0.174 0.000 2.444 36 S HA 0.018 4.488 4.470 0.000 0.000 0.223 36 S C 1.942 176.608 174.600 0.109 0.000 1.054 36 S CA 0.685 58.963 58.200 0.129 0.000 0.947 36 S CB -0.464 62.800 63.200 0.106 0.000 0.850 36 S HN 0.881 nan 8.310 nan 0.000 0.527 37 C N 0.296 119.671 119.300 0.124 0.000 2.926 37 C HA 0.690 5.150 4.460 0.000 0.000 0.272 37 C C 1.762 176.826 174.990 0.122 0.000 1.249 37 C CA 0.273 59.347 59.018 0.093 0.000 1.691 37 C CB -0.519 27.264 27.740 0.073 0.000 1.983 37 C HN 0.848 nan 8.230 nan 0.000 0.615 38 G N 0.473 109.376 108.800 0.172 0.000 2.143 38 G HA2 -0.261 3.699 3.960 0.000 0.000 0.249 38 G HA3 -0.261 3.699 3.960 0.000 0.000 0.249 38 G C -0.208 174.820 174.900 0.214 0.000 0.981 38 G CA 0.219 45.416 45.100 0.162 0.000 0.665 38 G HN 0.764 nan 8.290 nan 0.000 0.528 39 F N 1.472 121.489 119.950 0.111 0.000 2.578 39 F HA 0.428 4.955 4.527 0.000 0.000 0.376 39 F C 1.542 177.454 175.800 0.187 0.000 1.085 39 F CA 1.161 59.236 58.000 0.125 0.000 1.260 39 F CB 0.715 39.785 39.000 0.115 0.000 1.095 39 F HN 1.101 nan 8.300 nan 0.000 0.573 40 G N 4.605 113.162 108.800 -0.404 0.000 2.258 40 G HA2 -0.329 3.631 3.960 0.000 0.000 0.233 40 G HA3 -0.329 3.631 3.960 0.000 0.000 0.233 40 G C 1.199 176.023 174.900 -0.126 0.000 1.006 40 G CA 0.435 45.337 45.100 -0.331 0.000 0.620 40 G HN 0.726 nan 8.290 nan 0.000 0.511 41 K N 0.652 121.031 120.400 -0.036 0.000 2.225 41 K HA 0.354 4.674 4.320 0.000 0.000 0.204 41 K C 1.146 177.753 176.600 0.011 0.000 1.047 41 K CA 1.338 57.623 56.287 -0.003 0.000 0.970 41 K CB 0.255 32.775 32.500 0.033 0.000 0.939 41 K HN 0.751 nan 8.250 nan 0.000 0.472 42 S N -1.371 114.352 115.700 0.039 0.000 2.568 42 S HA 0.579 5.049 4.470 0.000 0.000 0.293 42 S C 0.482 175.122 174.600 0.065 0.000 1.089 42 S CA -0.488 57.736 58.200 0.040 0.000 0.945 42 S CB 1.866 65.084 63.200 0.029 0.000 1.077 42 S HN 0.202 nan 8.310 nan 0.000 0.485 43 A N 1.631 124.480 122.820 0.049 0.000 1.968 43 A HA 0.170 4.490 4.320 0.000 0.000 0.217 43 A C 0.948 178.561 177.584 0.048 0.000 1.169 43 A CA 0.754 52.827 52.037 0.060 0.000 0.638 43 A CB -0.475 18.547 19.000 0.038 0.000 0.812 43 A HN 0.792 nan 8.150 nan 0.000 0.446 44 K N 0.321 120.734 120.400 0.022 0.000 2.126 44 K HA 0.322 4.642 4.320 0.000 0.000 0.257 44 K C -0.222 176.374 176.600 -0.006 0.000 1.007 44 K CA -0.620 55.664 56.287 -0.005 0.000 0.928 44 K CB 0.553 33.035 32.500 -0.030 0.000 1.013 44 K HN 0.152 nan 8.250 nan 0.000 0.473 45 R N 2.086 122.567 120.500 -0.032 0.000 2.390 45 R HA 0.089 4.429 4.340 0.000 0.000 0.291 45 R C 0.132 176.369 176.300 -0.104 0.000 1.070 45 R CA -0.354 55.722 56.100 -0.040 0.000 1.014 45 R CB 0.836 31.108 30.300 -0.046 0.000 1.007 45 R HN 0.557 nan 8.270 nan 0.000 0.466 46 R N 2.468 122.911 120.500 -0.095 0.000 2.399 46 R HA -0.036 4.304 4.340 0.000 0.000 0.324 46 R C -0.942 175.190 176.300 -0.281 0.000 1.030 46 R CA 0.418 56.395 56.100 -0.204 0.000 0.984 46 R CB 0.069 30.340 30.300 -0.049 0.000 0.961 46 R HN 0.582 nan 8.270 nan 0.000 0.433 47 D N 3.278 123.378 120.400 -0.500 0.000 2.819 47 D HA 0.325 4.965 4.640 0.000 0.000 0.232 47 D C -1.819 174.018 176.300 -0.771 0.000 1.160 47 D CA -0.349 53.386 54.000 -0.442 0.000 0.858 47 D CB 1.001 41.634 40.800 -0.280 0.000 1.610 47 D HN 0.425 nan 8.370 nan 0.000 0.481 48 Y N 0.940 120.963 120.300 -0.461 0.000 2.534 48 Y HA 0.256 4.806 4.550 0.000 0.000 0.345 48 Y C 0.925 176.477 175.900 -0.579 0.000 1.031 48 Y CA -0.820 56.871 58.100 -0.681 0.000 1.022 48 Y CB 2.333 39.907 38.460 -1.476 0.000 1.292 48 Y HN 0.336 nan 8.280 nan 0.000 0.459 49 E N 2.009 122.092 120.200 -0.194 0.000 2.338 49 E HA -0.128 4.222 4.350 0.000 0.000 0.197 49 E C 1.365 177.987 176.600 0.037 0.000 1.007 49 E CA 0.884 57.248 56.400 -0.058 0.000 0.849 49 E CB 0.021 29.738 29.700 0.029 0.000 0.774 49 E HN 0.798 nan 8.360 nan 0.000 0.506 50 W N 0.475 121.835 121.300 0.101 0.000 3.180 50 W HA 0.103 4.763 4.660 0.000 0.000 0.254 50 W C 0.772 177.324 176.519 0.055 0.000 1.318 50 W CA -0.172 57.206 57.345 0.056 0.000 1.608 50 W CB -0.424 29.049 29.460 0.021 0.000 1.124 50 W HN 0.010 nan 8.180 nan 0.000 0.694 51 Q N 1.783 121.628 119.800 0.076 0.000 2.482 51 Q HA -0.018 4.322 4.340 0.000 0.000 0.209 51 Q C 0.737 176.791 176.000 0.090 0.000 0.961 51 Q CA 0.836 56.686 55.803 0.078 0.000 0.945 51 Q CB 0.160 28.832 28.738 -0.110 0.000 1.012 51 Q HN 0.218 nan 8.270 nan 0.000 0.515 52 S N -1.232 114.525 115.700 0.095 0.000 2.607 52 S HA 0.432 4.902 4.470 0.000 0.000 0.273 52 S C -0.856 173.797 174.600 0.089 0.000 1.148 52 S CA -1.239 57.004 58.200 0.072 0.000 0.833 52 S CB 1.823 65.044 63.200 0.035 0.000 1.130 52 S HN -0.179 nan 8.310 nan 0.000 0.470 53 K N 0.948 121.389 120.400 0.068 0.000 2.436 53 K HA 0.337 4.657 4.320 0.000 0.000 0.275 53 K C 1.672 178.306 176.600 0.057 0.000 0.999 53 K CA 0.461 56.785 56.287 0.062 0.000 0.980 53 K CB 0.597 33.123 32.500 0.044 0.000 0.919 53 K HN 0.839 nan 8.250 nan 0.000 0.484 54 A N 3.042 125.897 122.820 0.059 0.000 1.940 54 A HA -0.183 4.137 4.320 0.000 0.000 0.221 54 A C 1.602 179.209 177.584 0.038 0.000 1.190 54 A CA 2.340 54.408 52.037 0.053 0.000 0.647 54 A CB -0.657 18.373 19.000 0.049 0.000 0.821 54 A HN 0.760 nan 8.150 nan 0.000 0.457 55 G N -1.145 107.673 108.800 0.031 0.000 3.591 55 G HA2 0.454 4.414 3.960 0.000 0.000 0.282 55 G HA3 0.454 4.414 3.960 0.000 0.000 0.282 55 G C 0.038 174.950 174.900 0.020 0.000 1.238 55 G CA 0.433 45.546 45.100 0.023 0.000 0.993 55 G HN 0.591 nan 8.290 nan 0.000 0.542 56 E N 0.000 120.214 120.200 0.023 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.411 56.400 0.018 0.000 0.000 56 E CB 0.000 29.712 29.700 0.021 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000