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 3ccs_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 0.695 109.496 108.800 0.001 0.000 2.442 2 G HA2 0.498 4.458 3.960 0.000 0.000 0.249 2 G HA3 0.498 4.458 3.960 0.000 0.000 0.249 2 G C 1.010 175.911 174.900 0.001 0.000 1.263 2 G CA -0.129 44.971 45.100 0.001 0.000 0.846 2 G HN 1.040 nan 8.290 nan 0.000 0.555 3 A N 1.937 124.757 122.820 0.001 0.000 2.235 3 A HA 0.340 4.660 4.320 0.000 0.000 0.208 3 A C 1.793 179.378 177.584 0.002 0.000 1.172 3 A CA 1.263 53.301 52.037 0.002 0.000 0.786 3 A CB -0.345 18.656 19.000 0.002 0.000 0.804 3 A HN 0.900 nan 8.150 nan 0.000 0.479 4 G N -1.011 107.790 108.800 0.002 0.000 3.022 4 G HA2 0.220 4.180 3.960 0.000 0.000 0.157 4 G HA3 0.220 4.180 3.960 0.000 0.000 0.157 4 G C 1.195 176.096 174.900 0.003 0.000 1.691 4 G CA 0.852 45.953 45.100 0.002 0.000 1.079 4 G HN 0.205 nan 8.290 nan 0.000 0.549 5 T N 2.653 117.208 114.554 0.002 0.000 2.620 5 T HA -0.139 4.211 4.350 0.000 0.000 0.267 5 T C 0.109 174.811 174.700 0.003 0.000 1.044 5 T CA 2.215 64.317 62.100 0.003 0.000 1.161 5 T CB -1.151 67.718 68.868 0.002 0.000 0.862 5 T HN 0.369 nan 8.240 nan 0.000 0.438 6 P HA -0.037 nan 4.420 nan 0.000 0.216 6 P C 1.443 178.745 177.300 0.003 0.000 1.150 6 P CA 1.235 64.336 63.100 0.002 0.000 0.843 6 P CB -0.165 31.537 31.700 0.002 0.000 0.787 7 S N -0.500 115.202 115.700 0.003 0.000 2.522 7 S HA -0.048 4.422 4.470 0.000 0.000 0.227 7 S C 1.856 176.459 174.600 0.005 0.000 0.986 7 S CA 0.593 58.796 58.200 0.004 0.000 0.929 7 S CB -0.471 62.732 63.200 0.004 0.000 0.769 7 S HN 0.186 nan 8.310 nan 0.000 0.529 8 Q N 0.831 120.633 119.800 0.005 0.000 2.230 8 Q HA 0.063 4.403 4.340 0.000 0.000 0.202 8 Q C 2.279 178.282 176.000 0.005 0.000 0.963 8 Q CA 1.081 56.887 55.803 0.005 0.000 0.866 8 Q CB -1.012 27.729 28.738 0.005 0.000 0.931 8 Q HN 0.585 nan 8.270 nan 0.000 0.452 9 G N 1.167 109.970 108.800 0.004 0.000 2.448 9 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 9 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 9 G C 1.327 176.229 174.900 0.004 0.000 1.127 9 G CA 0.338 45.441 45.100 0.004 0.000 0.766 9 G HN 0.303 nan 8.290 nan 0.000 0.552 10 K N 0.214 120.617 120.400 0.004 0.000 2.487 10 K HA 0.070 4.390 4.320 0.000 0.000 0.192 10 K C 0.383 176.986 176.600 0.004 0.000 1.027 10 K CA 0.137 56.426 56.287 0.004 0.000 1.054 10 K CB 0.209 32.712 32.500 0.004 0.000 0.824 10 K HN 0.182 nan 8.250 nan 0.000 0.510 11 K N 2.728 123.132 120.400 0.005 0.000 2.111 11 K HA 0.034 4.354 4.320 0.000 0.000 0.249 11 K C 0.062 176.664 176.600 0.004 0.000 1.157 11 K CA -0.119 56.171 56.287 0.005 0.000 1.048 11 K CB -0.009 32.496 32.500 0.008 0.000 1.498 11 K HN 0.134 nan 8.250 nan 0.000 0.344 12 N N 0.198 118.899 118.700 0.001 0.000 2.377 12 N HA 0.010 4.750 4.740 0.000 0.000 0.259 12 N C -0.705 174.803 175.510 -0.004 0.000 1.332 12 N CA -0.436 52.614 53.050 -0.000 0.000 0.877 12 N CB 0.683 39.171 38.487 0.001 0.000 1.299 12 N HN -0.043 nan 8.380 nan 0.000 0.501 13 T N 0.166 114.715 114.554 -0.008 0.000 2.928 13 T HA 0.439 4.789 4.350 0.000 0.000 0.284 13 T C -0.357 174.323 174.700 -0.032 0.000 1.008 13 T CA 0.039 62.128 62.100 -0.018 0.000 1.057 13 T CB 1.520 70.377 68.868 -0.018 0.000 1.018 13 T HN 0.049 nan 8.240 nan 0.000 0.493 14 T N 2.087 116.613 114.554 -0.047 0.000 2.771 14 T HA 0.505 4.855 4.350 0.000 0.000 0.281 14 T C 1.053 175.664 174.700 -0.149 0.000 0.982 14 T CA -0.658 61.402 62.100 -0.066 0.000 0.978 14 T CB 1.264 70.109 68.868 -0.039 0.000 0.930 14 T HN 0.848 nan 8.240 nan 0.000 0.447 15 T N -0.597 113.812 114.554 -0.243 0.000 3.463 15 T HA 0.195 4.545 4.350 0.000 0.000 0.203 15 T C 0.429 174.781 174.700 -0.579 0.000 0.955 15 T CA -0.299 61.432 62.100 -0.616 0.000 1.230 15 T CB -0.253 68.066 68.868 -0.916 0.000 1.392 15 T HN 0.551 nan 8.240 nan 0.000 0.361 16 H N 3.498 122.408 119.070 -0.268 0.000 2.929 16 H HA 0.464 5.020 4.556 0.000 0.000 0.317 16 H C 0.223 175.547 175.328 -0.006 0.000 1.031 16 H CA 0.804 56.798 56.048 -0.090 0.000 1.466 16 H CB 0.308 30.054 29.762 -0.027 0.000 1.482 16 H HN 0.697 nan 8.280 nan 0.000 0.561 17 T N -0.070 114.579 114.554 0.158 0.000 2.865 17 T HA 0.273 4.623 4.350 0.000 0.000 0.294 17 T C 0.000 174.817 174.700 0.193 0.000 1.119 17 T CA -1.351 60.842 62.100 0.156 0.000 1.007 17 T CB 2.123 71.080 68.868 0.148 0.000 1.225 17 T HN 0.365 nan 8.240 nan 0.000 0.515 18 K N 0.547 121.022 120.400 0.124 0.000 2.430 18 K HA 0.195 4.515 4.320 0.000 0.000 0.280 18 K C 0.083 176.727 176.600 0.073 0.000 1.063 18 K CA -0.455 55.883 56.287 0.086 0.000 1.071 18 K CB -0.325 32.199 32.500 0.040 0.000 0.899 18 K HN 0.740 nan 8.250 nan 0.000 0.473 19 C N 5.746 125.090 119.300 0.072 0.000 2.576 19 C HA 0.187 4.647 4.460 0.000 0.000 0.401 19 C C 1.876 176.759 174.990 -0.178 0.000 1.314 19 C CA -0.498 58.506 59.018 -0.023 0.000 1.855 19 C CB -0.110 27.690 27.740 0.100 0.000 2.537 19 C HN 1.088 nan 8.230 nan 0.000 0.578 20 R N 2.632 122.931 120.500 -0.334 0.000 2.127 20 R HA -0.120 4.220 4.340 0.000 0.000 0.238 20 R C 2.433 178.462 176.300 -0.452 0.000 1.134 20 R CA 1.693 57.577 56.100 -0.360 0.000 0.975 20 R CB -0.210 29.857 30.300 -0.387 0.000 0.865 20 R HN 0.835 nan 8.270 nan 0.000 0.447 21 R N -0.132 119.973 120.500 -0.658 0.000 2.075 21 R HA -0.069 4.271 4.340 0.000 0.000 0.220 21 R C 2.316 178.456 176.300 -0.266 0.000 1.118 21 R CA 1.562 57.318 56.100 -0.574 0.000 0.986 21 R CB -0.076 29.709 30.300 -0.859 0.000 0.884 21 R HN 0.460 nan 8.270 nan 0.000 0.439 22 C N -2.507 116.692 119.300 -0.169 0.000 2.791 22 C HA 0.509 4.969 4.460 0.000 0.000 0.288 22 C C 1.546 176.503 174.990 -0.054 0.000 1.271 22 C CA 0.323 59.295 59.018 -0.078 0.000 1.726 22 C CB 0.353 28.082 27.740 -0.019 0.000 2.145 22 C HN 0.652 nan 8.230 nan 0.000 0.572 23 G N 0.573 109.338 108.800 -0.057 0.000 2.175 23 G HA2 -0.148 3.812 3.960 0.000 0.000 0.244 23 G HA3 -0.148 3.812 3.960 0.000 0.000 0.244 23 G C -0.291 174.611 174.900 0.002 0.000 0.982 23 G CA 0.355 45.435 45.100 -0.033 0.000 0.641 23 G HN 0.612 nan 8.290 nan 0.000 0.527 24 E N 0.415 120.630 120.200 0.025 0.000 2.313 24 E HA 0.278 4.628 4.350 0.000 0.000 0.272 24 E C 0.437 177.087 176.600 0.084 0.000 1.038 24 E CA -0.637 55.792 56.400 0.049 0.000 0.863 24 E CB 1.200 30.933 29.700 0.056 0.000 1.060 24 E HN 0.347 nan 8.360 nan 0.000 0.402 25 K N 1.685 122.132 120.400 0.079 0.000 2.449 25 K HA 0.091 4.411 4.320 0.000 0.000 0.237 25 K C -0.354 176.339 176.600 0.155 0.000 1.265 25 K CA 0.204 56.556 56.287 0.110 0.000 1.193 25 K CB -0.295 32.252 32.500 0.078 0.000 1.515 25 K HN 0.183 nan 8.250 nan 0.000 0.259 26 S N 1.305 117.137 115.700 0.220 0.000 2.893 26 S HA 0.008 4.478 4.470 0.000 0.000 0.258 26 S C -0.838 174.032 174.600 0.451 0.000 1.034 26 S CA -0.505 57.877 58.200 0.303 0.000 1.167 26 S CB -0.005 63.307 63.200 0.186 0.000 1.137 26 S HN 0.510 nan 8.310 nan 0.000 0.650 27 Y N 3.692 124.128 120.300 0.228 0.000 2.585 27 Y HA 0.305 4.855 4.550 0.000 0.000 0.354 27 Y C 0.363 176.333 175.900 0.117 0.000 1.024 27 Y CA -1.090 57.126 58.100 0.193 0.000 1.321 27 Y CB -0.438 38.126 38.460 0.172 0.000 1.151 27 Y HN 0.268 nan 8.280 nan 0.000 0.525 28 H N 4.128 122.988 119.070 -0.351 0.000 3.160 28 H HA 0.023 4.579 4.556 0.000 0.000 0.257 28 H C 1.457 176.461 175.328 -0.539 0.000 1.140 28 H CA 0.621 56.358 56.048 -0.518 0.000 1.492 28 H CB 0.796 30.259 29.762 -0.498 0.000 1.529 28 H HN 0.842 nan 8.280 nan 0.000 0.490 29 T N 3.210 117.599 114.554 -0.276 0.000 3.025 29 T HA -0.088 4.262 4.350 0.000 0.000 0.270 29 T C 1.528 176.197 174.700 -0.051 0.000 1.126 29 T CA 1.311 63.322 62.100 -0.148 0.000 1.105 29 T CB -0.008 68.840 68.868 -0.032 0.000 0.884 29 T HN 0.629 nan 8.240 nan 0.000 0.522 30 K N -0.403 120.059 120.400 0.102 0.000 2.352 30 K HA 0.186 4.506 4.320 0.000 0.000 0.194 30 K C 1.956 178.549 176.600 -0.012 0.000 1.038 30 K CA 0.404 56.745 56.287 0.090 0.000 1.023 30 K CB 0.387 32.980 32.500 0.155 0.000 0.840 30 K HN 0.221 nan 8.250 nan 0.000 0.519 31 K N 0.127 120.475 120.400 -0.087 0.000 2.367 31 K HA 0.116 4.436 4.320 0.000 0.000 0.195 31 K C -0.210 176.257 176.600 -0.222 0.000 1.060 31 K CA -0.051 56.094 56.287 -0.236 0.000 1.022 31 K CB 0.743 32.985 32.500 -0.430 0.000 0.894 31 K HN -0.200 nan 8.250 nan 0.000 0.540 32 K N 0.637 120.842 120.400 -0.325 0.000 3.096 32 K HA -0.130 4.190 4.320 0.000 0.000 0.266 32 K C -0.964 175.423 176.600 -0.356 0.000 1.043 32 K CA 0.437 56.469 56.287 -0.424 0.000 0.758 32 K CB -2.343 30.100 32.500 -0.095 0.000 1.260 32 K HN 0.056 nan 8.250 nan 0.000 0.481 33 V N -0.233 119.434 119.914 -0.411 0.000 2.841 33 V HA 0.313 4.433 4.120 0.000 0.000 0.310 33 V C 0.009 176.123 176.094 0.034 0.000 1.090 33 V CA -1.156 61.082 62.300 -0.104 0.000 0.930 33 V CB 2.616 34.395 31.823 -0.074 0.000 1.014 33 V HN 0.412 nan 8.190 nan 0.000 0.425 34 C N 3.408 122.872 119.300 0.273 0.000 2.285 34 C HA 0.427 4.887 4.460 0.000 0.000 0.335 34 C C 1.900 177.040 174.990 0.249 0.000 1.267 34 C CA 0.226 59.459 59.018 0.358 0.000 1.762 34 C CB 0.369 28.387 27.740 0.462 0.000 2.365 34 C HN 1.112 nan 8.230 nan 0.000 0.527 35 S N 3.416 119.270 115.700 0.258 0.000 2.515 35 S HA -0.083 4.387 4.470 0.000 0.000 0.231 35 S C 1.543 176.251 174.600 0.179 0.000 0.987 35 S CA 1.394 59.723 58.200 0.215 0.000 0.936 35 S CB -0.062 63.273 63.200 0.226 0.000 0.766 35 S HN 0.821 nan 8.310 nan 0.000 0.528 36 S N 0.732 116.535 115.700 0.171 0.000 2.431 36 S HA 0.000 4.470 4.470 0.000 0.000 0.210 36 S C 2.062 176.728 174.600 0.109 0.000 1.013 36 S CA 0.649 58.925 58.200 0.127 0.000 0.920 36 S CB -0.646 62.617 63.200 0.104 0.000 0.882 36 S HN 0.879 nan 8.310 nan 0.000 0.567 37 C N 0.908 120.280 119.300 0.120 0.000 2.594 37 C HA 0.624 5.084 4.460 0.000 0.000 0.265 37 C C 1.849 176.913 174.990 0.124 0.000 1.351 37 C CA 0.184 59.259 59.018 0.094 0.000 1.744 37 C CB -0.836 26.954 27.740 0.083 0.000 1.890 37 C HN 0.933 nan 8.230 nan 0.000 0.551 38 G N 0.158 109.060 108.800 0.170 0.000 2.148 38 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 38 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 38 G C -0.159 174.859 174.900 0.197 0.000 0.981 38 G CA 0.224 45.418 45.100 0.156 0.000 0.670 38 G HN 0.800 nan 8.290 nan 0.000 0.528 39 F N 1.352 121.366 119.950 0.107 0.000 2.608 39 F HA 0.410 4.937 4.527 0.000 0.000 0.380 39 F C 1.536 177.443 175.800 0.178 0.000 1.083 39 F CA 1.221 59.288 58.000 0.111 0.000 1.266 39 F CB 0.656 39.710 39.000 0.089 0.000 1.076 39 F HN 1.149 nan 8.300 nan 0.000 0.574 40 G N 4.488 112.945 108.800 -0.572 0.000 2.241 40 G HA2 -0.337 3.623 3.960 0.000 0.000 0.244 40 G HA3 -0.337 3.623 3.960 0.000 0.000 0.244 40 G C 1.104 175.907 174.900 -0.161 0.000 0.998 40 G CA 0.490 45.334 45.100 -0.426 0.000 0.621 40 G HN 0.771 nan 8.290 nan 0.000 0.519 41 K N 0.279 120.638 120.400 -0.067 0.000 2.325 41 K HA 0.374 4.694 4.320 0.000 0.000 0.203 41 K C 0.970 177.568 176.600 -0.003 0.000 1.128 41 K CA 1.253 57.528 56.287 -0.020 0.000 0.931 41 K CB 0.428 32.941 32.500 0.020 0.000 1.125 41 K HN 0.810 nan 8.250 nan 0.000 0.487 42 S N -1.261 114.451 115.700 0.020 0.000 2.549 42 S HA 0.573 5.043 4.470 0.000 0.000 0.280 42 S C 0.486 175.116 174.600 0.050 0.000 1.109 42 S CA -0.425 57.791 58.200 0.026 0.000 0.905 42 S CB 1.866 65.079 63.200 0.021 0.000 1.081 42 S HN 0.183 nan 8.310 nan 0.000 0.477 43 A N 2.165 125.008 122.820 0.039 0.000 1.969 43 A HA 0.137 4.457 4.320 0.000 0.000 0.218 43 A C 0.956 178.566 177.584 0.045 0.000 1.169 43 A CA 0.853 52.922 52.037 0.053 0.000 0.635 43 A CB -0.525 18.495 19.000 0.033 0.000 0.810 43 A HN 0.810 nan 8.150 nan 0.000 0.445 44 K N 0.264 120.675 120.400 0.019 0.000 2.126 44 K HA 0.333 4.653 4.320 0.000 0.000 0.257 44 K C -0.297 176.299 176.600 -0.007 0.000 1.007 44 K CA -0.766 55.518 56.287 -0.004 0.000 0.928 44 K CB 0.532 33.015 32.500 -0.028 0.000 1.013 44 K HN 0.109 nan 8.250 nan 0.000 0.473 45 R N 2.222 122.705 120.500 -0.029 0.000 2.389 45 R HA 0.060 4.400 4.340 0.000 0.000 0.295 45 R C 0.193 176.433 176.300 -0.101 0.000 1.075 45 R CA -0.169 55.908 56.100 -0.038 0.000 1.005 45 R CB 0.502 30.773 30.300 -0.047 0.000 0.987 45 R HN 0.590 nan 8.270 nan 0.000 0.452 46 R N 2.242 122.689 120.500 -0.089 0.000 2.458 46 R HA -0.051 4.289 4.340 0.000 0.000 0.303 46 R C -0.895 175.234 176.300 -0.285 0.000 1.013 46 R CA 0.525 56.509 56.100 -0.193 0.000 1.026 46 R CB 0.204 30.480 30.300 -0.040 0.000 0.948 46 R HN 0.573 nan 8.270 nan 0.000 0.417 47 D N 3.644 123.712 120.400 -0.554 0.000 2.937 47 D HA 0.250 4.890 4.640 0.000 0.000 0.215 47 D C -1.915 173.904 176.300 -0.802 0.000 1.274 47 D CA -0.348 53.361 54.000 -0.484 0.000 0.869 47 D CB 0.745 41.370 40.800 -0.292 0.000 1.675 47 D HN 0.435 nan 8.370 nan 0.000 0.538 48 Y N 1.247 121.265 120.300 -0.471 0.000 2.499 48 Y HA 0.317 4.867 4.550 0.000 0.000 0.347 48 Y C 1.272 176.808 175.900 -0.607 0.000 0.987 48 Y CA -0.847 56.830 58.100 -0.707 0.000 1.044 48 Y CB 2.233 39.787 38.460 -1.511 0.000 1.245 48 Y HN 0.302 nan 8.280 nan 0.000 0.461 49 E N 1.979 122.042 120.200 -0.230 0.000 2.274 49 E HA -0.115 4.235 4.350 0.000 0.000 0.194 49 E C 1.377 177.979 176.600 0.004 0.000 0.996 49 E CA 0.762 57.112 56.400 -0.084 0.000 0.840 49 E CB 0.018 29.727 29.700 0.016 0.000 0.772 49 E HN 0.808 nan 8.360 nan 0.000 0.491 50 W N 0.507 121.866 121.300 0.099 0.000 3.077 50 W HA 0.093 4.753 4.660 0.000 0.000 0.245 50 W C 0.592 177.143 176.519 0.054 0.000 1.316 50 W CA -0.174 57.205 57.345 0.055 0.000 1.537 50 W CB -0.454 29.020 29.460 0.022 0.000 1.131 50 W HN -0.004 nan 8.180 nan 0.000 0.695 51 Q N 1.883 121.705 119.800 0.038 0.000 2.415 51 Q HA 0.012 4.352 4.340 0.000 0.000 0.206 51 Q C 0.535 176.583 176.000 0.080 0.000 0.946 51 Q CA 0.593 56.431 55.803 0.058 0.000 0.951 51 Q CB 0.119 28.777 28.738 -0.134 0.000 1.026 51 Q HN 0.229 nan 8.270 nan 0.000 0.510 52 S N -1.375 114.384 115.700 0.098 0.000 2.565 52 S HA 0.369 4.839 4.470 0.000 0.000 0.269 52 S C -0.984 173.667 174.600 0.086 0.000 1.153 52 S CA -1.251 56.992 58.200 0.072 0.000 0.835 52 S CB 1.524 64.745 63.200 0.034 0.000 1.122 52 S HN -0.162 nan 8.310 nan 0.000 0.462 53 K N 1.195 121.635 120.400 0.066 0.000 2.485 53 K HA 0.276 4.596 4.320 0.000 0.000 0.277 53 K C 1.716 178.350 176.600 0.056 0.000 0.990 53 K CA 0.563 56.886 56.287 0.060 0.000 0.994 53 K CB 0.350 32.876 32.500 0.042 0.000 0.906 53 K HN 0.868 nan 8.250 nan 0.000 0.488 54 A N 3.172 126.027 122.820 0.059 0.000 1.927 54 A HA -0.160 4.160 4.320 0.000 0.000 0.220 54 A C 1.626 179.232 177.584 0.037 0.000 1.185 54 A CA 2.225 54.294 52.037 0.053 0.000 0.639 54 A CB -0.592 18.439 19.000 0.051 0.000 0.820 54 A HN 0.744 nan 8.150 nan 0.000 0.451 55 G N -0.988 107.830 108.800 0.031 0.000 3.496 55 G HA2 0.437 4.397 3.960 0.000 0.000 0.273 55 G HA3 0.437 4.397 3.960 0.000 0.000 0.273 55 G C 0.051 174.963 174.900 0.020 0.000 1.279 55 G CA 0.458 45.572 45.100 0.023 0.000 1.041 55 G HN 0.596 nan 8.290 nan 0.000 0.539 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