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 3i56_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 62.100 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 0.612 109.413 108.800 0.001 0.000 2.442 2 G HA2 0.506 4.466 3.960 0.000 0.000 0.249 2 G HA3 0.506 4.466 3.960 0.000 0.000 0.249 2 G C 0.996 175.897 174.900 0.001 0.000 1.263 2 G CA -0.143 44.957 45.100 0.001 0.000 0.846 2 G HN 1.039 nan 8.290 nan 0.000 0.555 3 A N 1.816 124.636 122.820 0.001 0.000 2.206 3 A HA 0.344 4.664 4.320 0.000 0.000 0.211 3 A C 1.790 179.376 177.584 0.002 0.000 1.158 3 A CA 1.365 53.403 52.037 0.002 0.000 0.761 3 A CB -0.278 18.723 19.000 0.001 0.000 0.801 3 A HN 0.878 nan 8.150 nan 0.000 0.473 4 G N -1.027 107.774 108.800 0.002 0.000 3.372 4 G HA2 0.226 4.186 3.960 0.000 0.000 0.178 4 G HA3 0.226 4.186 3.960 0.000 0.000 0.178 4 G C 1.218 176.119 174.900 0.002 0.000 1.817 4 G CA 0.885 45.986 45.100 0.002 0.000 0.996 4 G HN 0.213 nan 8.290 nan 0.000 0.559 5 T N 2.690 117.246 114.554 0.002 0.000 2.624 5 T HA -0.124 4.226 4.350 0.000 0.000 0.268 5 T C -0.007 174.694 174.700 0.002 0.000 1.041 5 T CA 2.052 64.153 62.100 0.002 0.000 1.159 5 T CB -1.110 67.759 68.868 0.002 0.000 0.863 5 T HN 0.368 nan 8.240 nan 0.000 0.434 6 P HA 0.111 nan 4.420 nan 0.000 0.226 6 P C 1.139 178.441 177.300 0.003 0.000 1.153 6 P CA 0.860 63.961 63.100 0.002 0.000 0.777 6 P CB -0.033 31.668 31.700 0.002 0.000 0.794 7 S N -0.339 115.363 115.700 0.003 0.000 2.558 7 S HA 0.013 4.483 4.470 0.000 0.000 0.217 7 S C 1.765 176.367 174.600 0.005 0.000 0.975 7 S CA 0.372 58.574 58.200 0.004 0.000 0.912 7 S CB -0.288 62.914 63.200 0.004 0.000 0.776 7 S HN 0.155 nan 8.310 nan 0.000 0.526 8 Q N 0.717 120.520 119.800 0.004 0.000 2.311 8 Q HA 0.118 4.458 4.340 0.000 0.000 0.203 8 Q C 2.180 178.183 176.000 0.005 0.000 0.954 8 Q CA 0.858 56.663 55.803 0.005 0.000 0.885 8 Q CB -0.863 27.877 28.738 0.004 0.000 0.963 8 Q HN 0.566 nan 8.270 nan 0.000 0.471 9 G N 0.972 109.774 108.800 0.004 0.000 2.471 9 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 9 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 9 G C 1.448 176.351 174.900 0.004 0.000 1.125 9 G CA 0.316 45.418 45.100 0.004 0.000 0.775 9 G HN 0.283 nan 8.290 nan 0.000 0.548 10 K N 0.200 120.603 120.400 0.005 0.000 2.366 10 K HA 0.064 4.384 4.320 0.000 0.000 0.198 10 K C 0.733 177.336 176.600 0.006 0.000 1.044 10 K CA 0.132 56.422 56.287 0.005 0.000 0.973 10 K CB 0.141 32.644 32.500 0.005 0.000 0.767 10 K HN 0.159 nan 8.250 nan 0.000 0.475 11 K N 2.860 123.264 120.400 0.006 0.000 2.146 11 K HA -0.020 4.300 4.320 0.000 0.000 0.220 11 K C 0.064 176.668 176.600 0.006 0.000 1.227 11 K CA 0.093 56.384 56.287 0.007 0.000 1.185 11 K CB -0.330 32.175 32.500 0.008 0.000 1.333 11 K HN 0.194 nan 8.250 nan 0.000 0.242 12 N N -0.270 118.433 118.700 0.005 0.000 2.365 12 N HA -0.006 4.734 4.740 0.000 0.000 0.257 12 N C -0.758 174.754 175.510 0.003 0.000 1.287 12 N CA -0.444 52.609 53.050 0.004 0.000 0.882 12 N CB 0.597 39.087 38.487 0.005 0.000 1.250 12 N HN -0.103 nan 8.380 nan 0.000 0.507 13 T N 0.333 114.887 114.554 0.001 0.000 2.875 13 T HA 0.369 4.719 4.350 0.000 0.000 0.284 13 T C -0.228 174.463 174.700 -0.015 0.000 0.995 13 T CA -0.017 62.080 62.100 -0.004 0.000 1.060 13 T CB 1.432 70.299 68.868 -0.003 0.000 0.967 13 T HN 0.055 nan 8.240 nan 0.000 0.476 14 T N 2.698 117.241 114.554 -0.020 0.000 2.749 14 T HA 0.444 4.794 4.350 0.000 0.000 0.287 14 T C 1.224 175.872 174.700 -0.087 0.000 0.970 14 T CA -0.660 61.420 62.100 -0.033 0.000 0.980 14 T CB 1.080 69.942 68.868 -0.009 0.000 0.924 14 T HN 0.846 nan 8.240 nan 0.000 0.456 15 T N -0.538 113.910 114.554 -0.177 0.000 3.393 15 T HA 0.159 4.509 4.350 0.000 0.000 0.231 15 T C 0.442 174.822 174.700 -0.533 0.000 0.983 15 T CA -0.219 61.589 62.100 -0.487 0.000 1.272 15 T CB -0.149 68.262 68.868 -0.762 0.000 1.214 15 T HN 0.551 nan 8.240 nan 0.000 0.368 16 H N 3.481 122.392 119.070 -0.265 0.000 2.742 16 H HA 0.500 5.056 4.556 0.000 0.000 0.302 16 H C 0.245 175.572 175.328 -0.002 0.000 1.069 16 H CA 0.441 56.423 56.048 -0.109 0.000 1.446 16 H CB 0.528 30.246 29.762 -0.074 0.000 1.462 16 H HN 0.651 nan 8.280 nan 0.000 0.499 17 T N 0.025 114.682 114.554 0.172 0.000 2.888 17 T HA 0.319 4.669 4.350 0.000 0.000 0.288 17 T C 0.128 174.941 174.700 0.189 0.000 1.063 17 T CA -1.330 60.869 62.100 0.165 0.000 1.010 17 T CB 2.182 71.151 68.868 0.168 0.000 1.214 17 T HN 0.341 nan 8.240 nan 0.000 0.533 18 K N 0.156 120.624 120.400 0.113 0.000 2.472 18 K HA 0.249 4.570 4.320 0.000 0.000 0.280 18 K C -0.155 176.465 176.600 0.034 0.000 1.028 18 K CA -0.451 55.875 56.287 0.065 0.000 1.045 18 K CB -0.115 32.398 32.500 0.022 0.000 0.902 18 K HN 0.739 nan 8.250 nan 0.000 0.478 19 C N 5.469 124.778 119.300 0.014 0.000 2.514 19 C HA 0.241 4.701 4.460 0.000 0.000 0.392 19 C C 1.868 176.715 174.990 -0.238 0.000 1.294 19 C CA -0.559 58.397 59.018 -0.103 0.000 1.957 19 C CB 0.131 27.875 27.740 0.007 0.000 2.541 19 C HN 1.086 nan 8.230 nan 0.000 0.569 20 R N 2.540 122.789 120.500 -0.420 0.000 2.120 20 R HA -0.077 4.263 4.340 0.000 0.000 0.234 20 R C 2.363 178.358 176.300 -0.507 0.000 1.123 20 R CA 1.470 57.310 56.100 -0.433 0.000 0.975 20 R CB -0.194 29.809 30.300 -0.495 0.000 0.866 20 R HN 0.806 nan 8.270 nan 0.000 0.446 21 R N -0.217 119.860 120.500 -0.705 0.000 2.090 21 R HA -0.064 4.276 4.340 0.000 0.000 0.219 21 R C 2.202 178.343 176.300 -0.264 0.000 1.100 21 R CA 1.570 57.327 56.100 -0.573 0.000 0.991 21 R CB 0.024 29.863 30.300 -0.769 0.000 0.893 21 R HN 0.464 nan 8.270 nan 0.000 0.443 22 C N -2.973 116.222 119.300 -0.176 0.000 3.188 22 C HA 0.521 4.981 4.460 0.000 0.000 0.315 22 C C 1.413 176.366 174.990 -0.063 0.000 1.285 22 C CA 0.252 59.219 59.018 -0.085 0.000 1.729 22 C CB 0.411 28.134 27.740 -0.029 0.000 2.257 22 C HN 0.622 nan 8.230 nan 0.000 0.645 23 G N 0.900 109.658 108.800 -0.070 0.000 2.157 23 G HA2 -0.142 3.818 3.960 0.000 0.000 0.248 23 G HA3 -0.142 3.818 3.960 0.000 0.000 0.248 23 G C -0.351 174.544 174.900 -0.010 0.000 0.979 23 G CA 0.382 45.455 45.100 -0.045 0.000 0.650 23 G HN 0.632 nan 8.290 nan 0.000 0.529 24 E N 0.151 120.359 120.200 0.012 0.000 2.277 24 E HA 0.289 4.639 4.350 0.000 0.000 0.274 24 E C 0.349 176.990 176.600 0.069 0.000 1.022 24 E CA -0.740 55.682 56.400 0.036 0.000 0.853 24 E CB 1.200 30.926 29.700 0.044 0.000 1.086 24 E HN 0.284 nan 8.360 nan 0.000 0.397 25 K N 1.625 122.063 120.400 0.064 0.000 2.715 25 K HA 0.110 4.430 4.320 0.000 0.000 0.248 25 K C -0.309 176.367 176.600 0.126 0.000 1.276 25 K CA 0.170 56.513 56.287 0.093 0.000 1.209 25 K CB -0.274 32.263 32.500 0.061 0.000 1.509 25 K HN 0.194 nan 8.250 nan 0.000 0.261 26 S N 0.866 116.683 115.700 0.194 0.000 2.787 26 S HA 0.017 4.487 4.470 0.000 0.000 0.255 26 S C -0.679 174.199 174.600 0.463 0.000 1.051 26 S CA -0.479 57.880 58.200 0.265 0.000 1.124 26 S CB 0.030 63.323 63.200 0.155 0.000 1.104 26 S HN 0.489 nan 8.310 nan 0.000 0.623 27 Y N 3.611 124.054 120.300 0.238 0.000 2.539 27 Y HA 0.288 4.838 4.550 0.000 0.000 0.352 27 Y C 0.335 176.320 175.900 0.141 0.000 1.004 27 Y CA -0.908 57.317 58.100 0.208 0.000 1.278 27 Y CB -0.276 38.288 38.460 0.174 0.000 1.136 27 Y HN 0.240 nan 8.280 nan 0.000 0.528 28 H N 4.267 123.146 119.070 -0.318 0.000 3.015 28 H HA 0.033 4.590 4.556 0.000 0.000 0.268 28 H C 1.418 176.439 175.328 -0.511 0.000 1.113 28 H CA 0.410 56.165 56.048 -0.488 0.000 1.479 28 H CB 0.914 30.392 29.762 -0.473 0.000 1.493 28 H HN 0.870 nan 8.280 nan 0.000 0.486 29 T N 3.494 117.967 114.554 -0.136 0.000 3.025 29 T HA -0.081 4.269 4.350 0.000 0.000 0.270 29 T C 1.639 176.333 174.700 -0.012 0.000 1.126 29 T CA 1.143 63.208 62.100 -0.058 0.000 1.105 29 T CB -0.017 68.878 68.868 0.045 0.000 0.884 29 T HN 0.575 nan 8.240 nan 0.000 0.522 30 K N 0.303 120.762 120.400 0.100 0.000 2.202 30 K HA 0.155 4.476 4.320 0.000 0.000 0.201 30 K C 2.068 178.589 176.600 -0.131 0.000 1.051 30 K CA 0.596 56.892 56.287 0.015 0.000 0.977 30 K CB 0.126 32.671 32.500 0.075 0.000 0.792 30 K HN 0.320 nan 8.250 nan 0.000 0.469 31 K N 0.680 120.914 120.400 -0.276 0.000 2.356 31 K HA 0.065 4.386 4.320 0.000 0.000 0.195 31 K C -0.114 176.324 176.600 -0.269 0.000 1.037 31 K CA -0.031 56.056 56.287 -0.335 0.000 1.014 31 K CB 0.395 32.589 32.500 -0.512 0.000 0.815 31 K HN -0.151 nan 8.250 nan 0.000 0.507 32 K N 0.465 120.652 120.400 -0.355 0.000 3.071 32 K HA -0.143 4.177 4.320 0.000 0.000 0.265 32 K C -0.899 175.467 176.600 -0.389 0.000 1.060 32 K CA 0.439 56.457 56.287 -0.448 0.000 0.767 32 K CB -2.345 30.083 32.500 -0.119 0.000 1.241 32 K HN 0.045 nan 8.250 nan 0.000 0.486 33 V N -0.027 119.635 119.914 -0.420 0.000 2.841 33 V HA 0.273 4.393 4.120 0.000 0.000 0.310 33 V C -0.018 176.099 176.094 0.040 0.000 1.090 33 V CA -1.147 61.091 62.300 -0.104 0.000 0.930 33 V CB 2.571 34.356 31.823 -0.064 0.000 1.014 33 V HN 0.428 nan 8.190 nan 0.000 0.425 34 C N 3.734 123.209 119.300 0.292 0.000 2.347 34 C HA 0.402 4.862 4.460 0.000 0.000 0.353 34 C C 1.956 177.102 174.990 0.261 0.000 1.273 34 C CA 0.290 59.530 59.018 0.371 0.000 1.861 34 C CB 0.493 28.506 27.740 0.455 0.000 2.420 34 C HN 1.107 nan 8.230 nan 0.000 0.542 35 S N 3.280 119.141 115.700 0.268 0.000 2.522 35 S HA -0.075 4.395 4.470 0.000 0.000 0.227 35 S C 1.594 176.298 174.600 0.174 0.000 0.986 35 S CA 1.399 59.730 58.200 0.218 0.000 0.929 35 S CB -0.061 63.269 63.200 0.218 0.000 0.769 35 S HN 0.805 nan 8.310 nan 0.000 0.529 36 S N 0.344 116.142 115.700 0.164 0.000 2.444 36 S HA 0.036 4.506 4.470 0.000 0.000 0.223 36 S C 1.935 176.602 174.600 0.112 0.000 1.054 36 S CA 0.655 58.929 58.200 0.123 0.000 0.947 36 S CB -0.375 62.881 63.200 0.095 0.000 0.850 36 S HN 0.880 nan 8.310 nan 0.000 0.527 37 C N 0.244 119.622 119.300 0.131 0.000 3.065 37 C HA 0.666 5.126 4.460 0.000 0.000 0.285 37 C C 1.710 176.783 174.990 0.139 0.000 1.257 37 C CA 0.323 59.406 59.018 0.108 0.000 1.691 37 C CB -0.490 27.306 27.740 0.094 0.000 2.089 37 C HN 0.784 nan 8.230 nan 0.000 0.630 38 G N 0.695 109.606 108.800 0.184 0.000 2.143 38 G HA2 -0.271 3.689 3.960 0.000 0.000 0.248 38 G HA3 -0.271 3.689 3.960 0.000 0.000 0.248 38 G C -0.236 174.784 174.900 0.200 0.000 0.991 38 G CA 0.256 45.458 45.100 0.170 0.000 0.689 38 G HN 0.862 nan 8.290 nan 0.000 0.522 39 F N 1.362 121.384 119.950 0.120 0.000 2.541 39 F HA 0.449 4.976 4.527 0.000 0.000 0.378 39 F C 1.437 177.351 175.800 0.189 0.000 1.068 39 F CA 1.063 59.139 58.000 0.127 0.000 1.199 39 F CB 0.626 39.695 39.000 0.115 0.000 1.091 39 F HN 0.979 nan 8.300 nan 0.000 0.555 40 G N 4.883 113.423 108.800 -0.432 0.000 2.339 40 G HA2 -0.290 3.670 3.960 0.000 0.000 0.209 40 G HA3 -0.290 3.670 3.960 0.000 0.000 0.209 40 G C 1.138 175.948 174.900 -0.149 0.000 1.015 40 G CA 0.276 45.174 45.100 -0.337 0.000 0.635 40 G HN 0.694 nan 8.290 nan 0.000 0.499 41 K N 0.809 121.173 120.400 -0.060 0.000 2.172 41 K HA 0.352 4.672 4.320 0.000 0.000 0.203 41 K C 1.134 177.727 176.600 -0.012 0.000 1.040 41 K CA 1.412 57.687 56.287 -0.019 0.000 0.974 41 K CB 0.176 32.691 32.500 0.026 0.000 0.857 41 K HN 0.687 nan 8.250 nan 0.000 0.464 42 S N -1.462 114.243 115.700 0.009 0.000 2.568 42 S HA 0.587 5.057 4.470 0.000 0.000 0.293 42 S C 0.415 175.034 174.600 0.032 0.000 1.089 42 S CA -0.557 57.651 58.200 0.013 0.000 0.945 42 S CB 1.851 65.059 63.200 0.014 0.000 1.077 42 S HN 0.200 nan 8.310 nan 0.000 0.485 43 A N 1.350 124.185 122.820 0.025 0.000 1.970 43 A HA 0.196 4.516 4.320 0.000 0.000 0.216 43 A C 0.844 178.452 177.584 0.041 0.000 1.170 43 A CA 0.657 52.719 52.037 0.043 0.000 0.645 43 A CB -0.455 18.560 19.000 0.026 0.000 0.816 43 A HN 0.783 nan 8.150 nan 0.000 0.447 44 K N 0.874 121.283 120.400 0.015 0.000 2.218 44 K HA 0.290 4.610 4.320 0.000 0.000 0.276 44 K C -0.249 176.347 176.600 -0.007 0.000 1.022 44 K CA -0.649 55.635 56.287 -0.006 0.000 0.946 44 K CB 0.640 33.122 32.500 -0.030 0.000 1.000 44 K HN 0.153 nan 8.250 nan 0.000 0.468 45 R N 2.348 122.836 120.500 -0.020 0.000 2.537 45 R HA 0.016 4.356 4.340 0.000 0.000 0.280 45 R C 0.303 176.554 176.300 -0.081 0.000 1.058 45 R CA -0.013 56.073 56.100 -0.024 0.000 1.057 45 R CB 0.394 30.675 30.300 -0.031 0.000 0.973 45 R HN 0.596 nan 8.270 nan 0.000 0.438 46 R N 2.301 122.763 120.500 -0.063 0.000 2.421 46 R HA -0.025 4.315 4.340 0.000 0.000 0.305 46 R C -0.942 175.225 176.300 -0.222 0.000 1.039 46 R CA 0.418 56.432 56.100 -0.143 0.000 1.003 46 R CB 0.222 30.526 30.300 0.007 0.000 0.959 46 R HN 0.593 nan 8.270 nan 0.000 0.427 47 D N 3.274 123.396 120.400 -0.463 0.000 2.837 47 D HA 0.297 4.937 4.640 0.000 0.000 0.220 47 D C -1.931 173.910 176.300 -0.764 0.000 1.236 47 D CA -0.340 53.401 54.000 -0.430 0.000 0.838 47 D CB 0.898 41.537 40.800 -0.268 0.000 1.647 47 D HN 0.430 nan 8.370 nan 0.000 0.486 48 Y N 0.974 121.004 120.300 -0.451 0.000 2.524 48 Y HA 0.291 4.841 4.550 0.000 0.000 0.347 48 Y C 0.940 176.504 175.900 -0.560 0.000 1.005 48 Y CA -0.835 56.884 58.100 -0.635 0.000 1.025 48 Y CB 2.240 39.890 38.460 -1.349 0.000 1.275 48 Y HN 0.298 nan 8.280 nan 0.000 0.460 49 E N 1.909 122.001 120.200 -0.180 0.000 2.478 49 E HA -0.101 4.249 4.350 0.000 0.000 0.198 49 E C 1.191 177.814 176.600 0.038 0.000 1.046 49 E CA 0.636 57.003 56.400 -0.055 0.000 0.870 49 E CB 0.018 29.736 29.700 0.030 0.000 0.818 49 E HN 0.797 nan 8.360 nan 0.000 0.527 50 W N 0.050 121.412 121.300 0.104 0.000 3.256 50 W HA 0.157 4.817 4.660 0.000 0.000 0.269 50 W C 0.840 177.391 176.519 0.054 0.000 1.310 50 W CA -0.252 57.128 57.345 0.059 0.000 1.673 50 W CB -0.366 29.112 29.460 0.028 0.000 1.115 50 W HN 0.007 nan 8.180 nan 0.000 0.686 51 Q N 1.830 121.646 119.800 0.026 0.000 2.436 51 Q HA -0.039 4.301 4.340 0.000 0.000 0.209 51 Q C 0.869 176.915 176.000 0.076 0.000 0.965 51 Q CA 1.056 56.880 55.803 0.036 0.000 0.910 51 Q CB 0.156 28.806 28.738 -0.146 0.000 0.980 51 Q HN 0.205 nan 8.270 nan 0.000 0.491 52 S N -1.065 114.682 115.700 0.077 0.000 2.618 52 S HA 0.440 4.910 4.470 0.000 0.000 0.277 52 S C -0.690 173.960 174.600 0.084 0.000 1.138 52 S CA -1.231 57.008 58.200 0.064 0.000 0.844 52 S CB 1.971 65.189 63.200 0.029 0.000 1.127 52 S HN -0.168 nan 8.310 nan 0.000 0.474 53 K N 0.711 121.151 120.400 0.065 0.000 2.380 53 K HA 0.272 4.592 4.320 0.000 0.000 0.267 53 K C 1.657 178.292 176.600 0.057 0.000 0.990 53 K CA 0.492 56.816 56.287 0.062 0.000 0.946 53 K CB 0.395 32.921 32.500 0.044 0.000 0.937 53 K HN 0.829 nan 8.250 nan 0.000 0.491 54 A N 2.625 125.480 122.820 0.059 0.000 1.927 54 A HA -0.155 4.165 4.320 0.000 0.000 0.220 54 A C 1.709 179.315 177.584 0.038 0.000 1.185 54 A CA 2.256 54.325 52.037 0.053 0.000 0.639 54 A CB -0.624 18.407 19.000 0.050 0.000 0.820 54 A HN 0.777 nan 8.150 nan 0.000 0.451 55 G N -1.261 107.558 108.800 0.031 0.000 3.383 55 G HA2 0.421 4.381 3.960 0.000 0.000 0.251 55 G HA3 0.421 4.381 3.960 0.000 0.000 0.251 55 G C 0.173 175.085 174.900 0.020 0.000 1.203 55 G CA 0.320 45.434 45.100 0.023 0.000 0.852 55 G HN 0.568 nan 8.290 nan 0.000 0.531 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 0.020 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000