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 1vqo_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 0.914 109.715 108.800 0.001 0.000 2.544 2 G HA2 0.487 4.447 3.960 0.000 0.000 0.242 2 G HA3 0.487 4.447 3.960 0.000 0.000 0.242 2 G C 1.101 176.002 174.900 0.001 0.000 1.247 2 G CA -0.129 44.972 45.100 0.001 0.000 0.840 2 G HN 0.998 nan 8.290 nan 0.000 0.578 3 A N 1.596 124.417 122.820 0.001 0.000 2.119 3 A HA 0.273 4.593 4.320 0.000 0.000 0.217 3 A C 1.891 179.477 177.584 0.002 0.000 1.153 3 A CA 1.589 53.627 52.037 0.002 0.000 0.692 3 A CB -0.464 18.537 19.000 0.001 0.000 0.799 3 A HN 0.933 nan 8.150 nan 0.000 0.458 4 G N -1.173 107.628 108.800 0.002 0.000 3.152 4 G HA2 0.219 4.179 3.960 0.000 0.000 0.157 4 G HA3 0.219 4.179 3.960 0.000 0.000 0.157 4 G C 1.199 176.101 174.900 0.003 0.000 1.786 4 G CA 0.857 45.958 45.100 0.002 0.000 1.055 4 G HN 0.207 nan 8.290 nan 0.000 0.528 5 T N 2.612 117.167 114.554 0.003 0.000 2.620 5 T HA -0.141 4.209 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 2.179 64.281 62.100 0.003 0.000 1.161 5 T CB -1.111 67.759 68.868 0.002 0.000 0.862 5 T HN 0.378 nan 8.240 nan 0.000 0.438 6 P HA 0.034 nan 4.420 nan 0.000 0.218 6 P C 1.387 178.689 177.300 0.003 0.000 1.149 6 P CA 1.051 64.152 63.100 0.003 0.000 0.817 6 P CB -0.098 31.603 31.700 0.002 0.000 0.785 7 S N -0.495 115.207 115.700 0.003 0.000 2.522 7 S HA -0.018 4.452 4.470 0.000 0.000 0.227 7 S C 1.782 176.385 174.600 0.005 0.000 0.986 7 S CA 0.514 58.716 58.200 0.004 0.000 0.929 7 S CB -0.393 62.809 63.200 0.004 0.000 0.769 7 S HN 0.167 nan 8.310 nan 0.000 0.529 8 Q N 0.489 120.292 119.800 0.005 0.000 2.311 8 Q HA 0.123 4.463 4.340 0.000 0.000 0.203 8 Q C 2.153 178.156 176.000 0.006 0.000 0.954 8 Q CA 0.809 56.615 55.803 0.006 0.000 0.885 8 Q CB -0.858 27.884 28.738 0.006 0.000 0.963 8 Q HN 0.559 nan 8.270 nan 0.000 0.471 9 G N 0.929 109.732 108.800 0.005 0.000 2.534 9 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 9 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 9 G C 1.318 176.220 174.900 0.004 0.000 1.128 9 G CA 0.122 45.224 45.100 0.004 0.000 0.784 9 G HN 0.257 nan 8.290 nan 0.000 0.542 10 K N 0.200 120.603 120.400 0.004 0.000 2.487 10 K HA 0.071 4.391 4.320 0.000 0.000 0.192 10 K C 0.280 176.882 176.600 0.005 0.000 1.027 10 K CA 0.146 56.436 56.287 0.004 0.000 1.054 10 K CB 0.220 32.723 32.500 0.004 0.000 0.824 10 K HN 0.181 nan 8.250 nan 0.000 0.510 11 K N 2.741 123.144 120.400 0.005 0.000 2.183 11 K HA 0.052 4.372 4.320 0.000 0.000 0.272 11 K C 0.004 176.606 176.600 0.004 0.000 1.113 11 K CA -0.159 56.132 56.287 0.006 0.000 0.949 11 K CB 0.140 32.645 32.500 0.009 0.000 1.365 11 K HN 0.119 nan 8.250 nan 0.000 0.420 12 N N 0.393 119.094 118.700 0.002 0.000 2.466 12 N HA 0.009 4.749 4.740 0.000 0.000 0.272 12 N C -0.868 174.640 175.510 -0.005 0.000 1.455 12 N CA -0.488 52.562 53.050 -0.000 0.000 0.875 12 N CB 0.665 39.152 38.487 0.001 0.000 1.372 12 N HN -0.008 nan 8.380 nan 0.000 0.492 13 T N 0.417 114.966 114.554 -0.008 0.000 2.837 13 T HA 0.364 4.714 4.350 0.000 0.000 0.285 13 T C -0.238 174.442 174.700 -0.034 0.000 0.984 13 T CA 0.048 62.137 62.100 -0.019 0.000 1.049 13 T CB 1.467 70.323 68.868 -0.019 0.000 0.947 13 T HN 0.045 nan 8.240 nan 0.000 0.472 14 T N 2.837 117.363 114.554 -0.046 0.000 2.744 14 T HA 0.416 4.766 4.350 0.000 0.000 0.291 14 T C 1.278 175.889 174.700 -0.148 0.000 0.957 14 T CA -0.533 61.528 62.100 -0.065 0.000 1.002 14 T CB 0.899 69.744 68.868 -0.040 0.000 0.919 14 T HN 0.859 nan 8.240 nan 0.000 0.468 15 T N -0.143 114.268 114.554 -0.239 0.000 3.478 15 T HA 0.169 4.519 4.350 0.000 0.000 0.223 15 T C 0.493 174.814 174.700 -0.633 0.000 0.958 15 T CA -0.261 61.476 62.100 -0.605 0.000 1.324 15 T CB -0.190 68.190 68.868 -0.812 0.000 1.262 15 T HN 0.540 nan 8.240 nan 0.000 0.379 16 H N 3.356 122.258 119.070 -0.281 0.000 2.848 16 H HA 0.494 5.050 4.556 0.000 0.000 0.317 16 H C 0.368 175.688 175.328 -0.013 0.000 1.046 16 H CA 0.768 56.752 56.048 -0.107 0.000 1.470 16 H CB 0.575 30.320 29.762 -0.028 0.000 1.483 16 H HN 0.713 nan 8.280 nan 0.000 0.548 17 T N -0.264 114.385 114.554 0.159 0.000 2.887 17 T HA 0.305 4.655 4.350 0.000 0.000 0.292 17 T C -0.023 174.796 174.700 0.198 0.000 1.087 17 T CA -1.364 60.832 62.100 0.160 0.000 1.009 17 T CB 2.153 71.111 68.868 0.151 0.000 1.203 17 T HN 0.288 nan 8.240 nan 0.000 0.518 18 K N 0.664 121.140 120.400 0.127 0.000 2.466 18 K HA 0.184 4.504 4.320 0.000 0.000 0.278 18 K C -0.100 176.549 176.600 0.082 0.000 1.048 18 K CA -0.252 56.087 56.287 0.086 0.000 1.088 18 K CB -0.630 31.895 32.500 0.042 0.000 0.884 18 K HN 0.776 nan 8.250 nan 0.000 0.478 19 C N 6.208 125.554 119.300 0.077 0.000 2.514 19 C HA 0.279 4.739 4.460 0.000 0.000 0.392 19 C C 1.844 176.745 174.990 -0.149 0.000 1.294 19 C CA -0.600 58.421 59.018 0.005 0.000 1.957 19 C CB -0.047 27.759 27.740 0.111 0.000 2.541 19 C HN 1.111 nan 8.230 nan 0.000 0.569 20 R N 2.603 122.930 120.500 -0.290 0.000 2.091 20 R HA -0.118 4.222 4.340 0.000 0.000 0.238 20 R C 2.470 178.505 176.300 -0.440 0.000 1.136 20 R CA 1.818 57.720 56.100 -0.330 0.000 0.959 20 R CB -0.239 29.859 30.300 -0.337 0.000 0.856 20 R HN 0.836 nan 8.270 nan 0.000 0.437 21 R N 0.084 120.158 120.500 -0.710 0.000 2.062 21 R HA -0.102 4.238 4.340 0.000 0.000 0.226 21 R C 2.353 178.482 176.300 -0.285 0.000 1.125 21 R CA 1.790 57.516 56.100 -0.622 0.000 0.966 21 R CB -0.165 29.581 30.300 -0.923 0.000 0.861 21 R HN 0.500 nan 8.270 nan 0.000 0.433 22 C N -2.501 116.692 119.300 -0.179 0.000 2.865 22 C HA 0.514 4.974 4.460 0.000 0.000 0.280 22 C C 1.555 176.511 174.990 -0.056 0.000 1.255 22 C CA 0.198 59.166 59.018 -0.084 0.000 1.705 22 C CB 0.236 27.960 27.740 -0.025 0.000 2.080 22 C HN 0.678 nan 8.230 nan 0.000 0.591 23 G N 0.608 109.374 108.800 -0.056 0.000 2.199 23 G HA2 -0.162 3.798 3.960 0.000 0.000 0.254 23 G HA3 -0.162 3.798 3.960 0.000 0.000 0.254 23 G C -0.239 174.662 174.900 0.003 0.000 0.982 23 G CA 0.427 45.508 45.100 -0.031 0.000 0.632 23 G HN 0.617 nan 8.290 nan 0.000 0.529 24 E N 0.289 120.504 120.200 0.025 0.000 2.319 24 E HA 0.295 4.645 4.350 0.000 0.000 0.268 24 E C 0.437 177.084 176.600 0.079 0.000 1.050 24 E CA -0.619 55.809 56.400 0.046 0.000 0.878 24 E CB 1.055 30.786 29.700 0.051 0.000 1.066 24 E HN 0.327 nan 8.360 nan 0.000 0.406 25 K N 1.426 121.870 120.400 0.074 0.000 2.737 25 K HA 0.111 4.431 4.320 0.000 0.000 0.251 25 K C -0.311 176.373 176.600 0.140 0.000 1.280 25 K CA 0.155 56.504 56.287 0.102 0.000 1.219 25 K CB -0.283 32.260 32.500 0.072 0.000 1.587 25 K HN 0.188 nan 8.250 nan 0.000 0.279 26 S N 0.954 116.774 115.700 0.201 0.000 2.847 26 S HA 0.013 4.483 4.470 0.000 0.000 0.254 26 S C -0.761 174.092 174.600 0.422 0.000 1.039 26 S CA -0.494 57.866 58.200 0.267 0.000 1.113 26 S CB 0.010 63.309 63.200 0.164 0.000 1.092 26 S HN 0.491 nan 8.310 nan 0.000 0.620 27 Y N 3.582 124.019 120.300 0.229 0.000 2.539 27 Y HA 0.319 4.869 4.550 0.000 0.000 0.352 27 Y C 0.322 176.312 175.900 0.150 0.000 1.004 27 Y CA -1.049 57.176 58.100 0.208 0.000 1.278 27 Y CB -0.282 38.286 38.460 0.181 0.000 1.136 27 Y HN 0.243 nan 8.280 nan 0.000 0.528 28 H N 4.306 123.181 119.070 -0.325 0.000 3.160 28 H HA 0.041 4.598 4.556 0.000 0.000 0.257 28 H C 1.428 176.455 175.328 -0.502 0.000 1.140 28 H CA 0.614 56.383 56.048 -0.466 0.000 1.492 28 H CB 0.781 30.277 29.762 -0.443 0.000 1.529 28 H HN 0.857 nan 8.280 nan 0.000 0.490 29 T N 3.690 118.073 114.554 -0.286 0.000 3.077 29 T HA -0.088 4.262 4.350 0.000 0.000 0.269 29 T C 1.649 176.316 174.700 -0.055 0.000 1.146 29 T CA 1.144 63.165 62.100 -0.131 0.000 1.091 29 T CB -0.080 68.773 68.868 -0.024 0.000 0.892 29 T HN 0.548 nan 8.240 nan 0.000 0.533 30 K N 0.461 120.902 120.400 0.068 0.000 2.168 30 K HA 0.157 4.477 4.320 0.000 0.000 0.201 30 K C 2.082 178.691 176.600 0.014 0.000 1.049 30 K CA 0.678 57.018 56.287 0.089 0.000 0.974 30 K CB 0.037 32.639 32.500 0.170 0.000 0.792 30 K HN 0.330 nan 8.250 nan 0.000 0.463 31 K N 0.816 121.203 120.400 -0.022 0.000 2.361 31 K HA 0.063 4.383 4.320 0.000 0.000 0.196 31 K C -0.099 176.385 176.600 -0.194 0.000 1.039 31 K CA 0.011 56.185 56.287 -0.187 0.000 1.001 31 K CB 0.290 32.571 32.500 -0.365 0.000 0.795 31 K HN -0.143 nan 8.250 nan 0.000 0.495 32 K N 0.365 120.587 120.400 -0.297 0.000 3.125 32 K HA -0.130 4.190 4.320 0.000 0.000 0.268 32 K C -1.080 175.280 176.600 -0.401 0.000 1.078 32 K CA 0.432 56.458 56.287 -0.435 0.000 0.775 32 K CB -2.366 30.074 32.500 -0.100 0.000 1.253 32 K HN 0.060 nan 8.250 nan 0.000 0.486 33 V N 0.049 119.700 119.914 -0.438 0.000 2.686 33 V HA 0.244 4.364 4.120 0.000 0.000 0.306 33 V C 0.132 176.226 176.094 -0.000 0.000 1.065 33 V CA -1.184 61.040 62.300 -0.126 0.000 0.894 33 V CB 2.436 34.217 31.823 -0.071 0.000 1.004 33 V HN 0.424 nan 8.190 nan 0.000 0.424 34 C N 4.044 123.501 119.300 0.263 0.000 2.394 34 C HA 0.378 4.838 4.460 0.000 0.000 0.362 34 C C 1.942 177.079 174.990 0.245 0.000 1.268 34 C CA 0.302 59.527 59.018 0.345 0.000 1.828 34 C CB 0.295 28.305 27.740 0.450 0.000 2.442 34 C HN 1.106 nan 8.230 nan 0.000 0.549 35 S N 3.242 119.090 115.700 0.246 0.000 2.522 35 S HA -0.082 4.388 4.470 0.000 0.000 0.227 35 S C 1.599 176.302 174.600 0.171 0.000 0.986 35 S CA 1.277 59.597 58.200 0.200 0.000 0.929 35 S CB -0.073 63.245 63.200 0.197 0.000 0.769 35 S HN 0.840 nan 8.310 nan 0.000 0.529 36 S N 0.525 116.324 115.700 0.166 0.000 2.452 36 S HA 0.022 4.492 4.470 0.000 0.000 0.225 36 S C 1.861 176.532 174.600 0.118 0.000 1.057 36 S CA 0.648 58.926 58.200 0.129 0.000 0.949 36 S CB -0.372 62.889 63.200 0.101 0.000 0.836 36 S HN 0.874 nan 8.310 nan 0.000 0.518 37 C N 0.090 119.470 119.300 0.134 0.000 3.038 37 C HA 0.708 5.168 4.460 0.000 0.000 0.279 37 C C 1.799 176.870 174.990 0.135 0.000 1.276 37 C CA 0.331 59.412 59.018 0.105 0.000 1.697 37 C CB -0.430 27.357 27.740 0.078 0.000 2.032 37 C HN 0.833 nan 8.230 nan 0.000 0.636 38 G N 0.522 109.432 108.800 0.183 0.000 2.176 38 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 38 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 38 G C -0.142 174.899 174.900 0.235 0.000 0.979 38 G CA 0.239 45.446 45.100 0.178 0.000 0.641 38 G HN 0.785 nan 8.290 nan 0.000 0.530 39 F N 1.750 121.773 119.950 0.122 0.000 2.623 39 F HA 0.392 4.919 4.527 0.000 0.000 0.383 39 F C 1.586 177.505 175.800 0.199 0.000 1.077 39 F CA 1.492 59.572 58.000 0.135 0.000 1.268 39 F CB 0.563 39.637 39.000 0.124 0.000 1.053 39 F HN 1.187 nan 8.300 nan 0.000 0.571 40 G N 4.431 113.029 108.800 -0.337 0.000 2.234 40 G HA2 -0.344 3.616 3.960 0.000 0.000 0.235 40 G HA3 -0.344 3.616 3.960 0.000 0.000 0.235 40 G C 1.126 175.966 174.900 -0.101 0.000 0.997 40 G CA 0.489 45.412 45.100 -0.294 0.000 0.623 40 G HN 0.756 nan 8.290 nan 0.000 0.514 41 K N 0.304 120.695 120.400 -0.015 0.000 2.325 41 K HA 0.394 4.714 4.320 0.000 0.000 0.203 41 K C 0.945 177.559 176.600 0.024 0.000 1.128 41 K CA 1.284 57.579 56.287 0.012 0.000 0.931 41 K CB 0.404 32.933 32.500 0.048 0.000 1.125 41 K HN 0.826 nan 8.250 nan 0.000 0.487 42 S N -1.367 114.363 115.700 0.050 0.000 2.546 42 S HA 0.567 5.037 4.470 0.000 0.000 0.274 42 S C 0.425 175.067 174.600 0.071 0.000 1.121 42 S CA -0.461 57.768 58.200 0.048 0.000 0.887 42 S CB 1.804 65.028 63.200 0.040 0.000 1.094 42 S HN 0.175 nan 8.310 nan 0.000 0.474 43 A N 2.346 125.199 122.820 0.055 0.000 1.898 43 A HA 0.119 4.439 4.320 0.000 0.000 0.216 43 A C 1.055 178.671 177.584 0.052 0.000 1.181 43 A CA 0.943 53.020 52.037 0.066 0.000 0.620 43 A CB -0.649 18.377 19.000 0.043 0.000 0.819 43 A HN 0.815 nan 8.150 nan 0.000 0.442 44 K N 0.305 120.721 120.400 0.026 0.000 2.276 44 K HA 0.180 4.500 4.320 0.000 0.000 0.259 44 K C -0.137 176.464 176.600 0.002 0.000 1.001 44 K CA -0.364 55.924 56.287 0.001 0.000 0.927 44 K CB 0.338 32.826 32.500 -0.021 0.000 0.969 44 K HN 0.170 nan 8.250 nan 0.000 0.490 45 R N 2.509 122.995 120.500 -0.023 0.000 2.298 45 R HA 0.064 4.404 4.340 0.000 0.000 0.310 45 R C 0.089 176.340 176.300 -0.082 0.000 1.068 45 R CA -0.232 55.850 56.100 -0.029 0.000 0.957 45 R CB 0.716 30.992 30.300 -0.040 0.000 1.003 45 R HN 0.579 nan 8.270 nan 0.000 0.454 46 R N 2.164 122.630 120.500 -0.057 0.000 2.504 46 R HA -0.104 4.236 4.340 0.000 0.000 0.291 46 R C -0.790 175.359 176.300 -0.252 0.000 0.974 46 R CA 0.920 56.944 56.100 -0.127 0.000 1.077 46 R CB 0.202 30.517 30.300 0.025 0.000 0.926 46 R HN 0.462 nan 8.270 nan 0.000 0.407 47 D N 2.656 122.710 120.400 -0.577 0.000 2.717 47 D HA 0.351 4.991 4.640 0.000 0.000 0.223 47 D C -1.855 173.816 176.300 -1.047 0.000 1.240 47 D CA -0.299 53.361 54.000 -0.568 0.000 0.801 47 D CB 0.893 41.479 40.800 -0.356 0.000 1.556 47 D HN 0.414 nan 8.370 nan 0.000 0.462 48 Y N 0.592 120.616 120.300 -0.459 0.000 2.519 48 Y HA 0.216 4.766 4.550 0.000 0.000 0.336 48 Y C 0.994 176.533 175.900 -0.601 0.000 1.089 48 Y CA -0.772 56.918 58.100 -0.684 0.000 1.025 48 Y CB 2.053 39.604 38.460 -1.515 0.000 1.318 48 Y HN 0.176 nan 8.280 nan 0.000 0.452 49 E N 1.970 122.045 120.200 -0.207 0.000 2.338 49 E HA -0.118 4.232 4.350 0.000 0.000 0.197 49 E C 1.413 178.016 176.600 0.005 0.000 1.007 49 E CA 0.898 57.252 56.400 -0.076 0.000 0.849 49 E CB 0.001 29.713 29.700 0.019 0.000 0.774 49 E HN 0.831 nan 8.360 nan 0.000 0.506 50 W N 0.570 121.933 121.300 0.106 0.000 3.077 50 W HA 0.085 4.745 4.660 0.000 0.000 0.245 50 W C 0.746 177.300 176.519 0.057 0.000 1.316 50 W CA -0.124 57.257 57.345 0.060 0.000 1.537 50 W CB -0.496 28.981 29.460 0.028 0.000 1.131 50 W HN 0.032 nan 8.180 nan 0.000 0.695 51 Q N 1.717 121.491 119.800 -0.043 0.000 2.482 51 Q HA -0.019 4.321 4.340 0.000 0.000 0.209 51 Q C 0.794 176.825 176.000 0.052 0.000 0.961 51 Q CA 0.849 56.647 55.803 -0.008 0.000 0.945 51 Q CB 0.153 28.777 28.738 -0.190 0.000 1.012 51 Q HN 0.236 nan 8.270 nan 0.000 0.515 52 S N -1.344 114.396 115.700 0.066 0.000 2.607 52 S HA 0.417 4.887 4.470 0.000 0.000 0.273 52 S C -0.885 173.759 174.600 0.073 0.000 1.148 52 S CA -1.219 57.014 58.200 0.055 0.000 0.833 52 S CB 1.717 64.928 63.200 0.019 0.000 1.130 52 S HN -0.187 nan 8.310 nan 0.000 0.470 53 K N 0.943 121.377 120.400 0.056 0.000 2.485 53 K HA 0.318 4.638 4.320 0.000 0.000 0.277 53 K C 1.674 178.305 176.600 0.050 0.000 0.990 53 K CA 0.533 56.852 56.287 0.054 0.000 0.994 53 K CB 0.480 33.003 32.500 0.038 0.000 0.906 53 K HN 0.824 nan 8.250 nan 0.000 0.488 54 A N 3.108 125.961 122.820 0.055 0.000 1.884 54 A HA -0.169 4.152 4.320 0.000 0.000 0.219 54 A C 1.686 179.290 177.584 0.034 0.000 1.197 54 A CA 2.294 54.361 52.037 0.050 0.000 0.637 54 A CB -0.740 18.289 19.000 0.049 0.000 0.827 54 A HN 0.759 nan 8.150 nan 0.000 0.450 55 G N -1.050 107.766 108.800 0.028 0.000 3.379 55 G HA2 0.410 4.370 3.960 0.000 0.000 0.253 55 G HA3 0.410 4.370 3.960 0.000 0.000 0.253 55 G C 0.119 175.028 174.900 0.016 0.000 1.262 55 G CA 0.586 45.698 45.100 0.020 0.000 0.959 55 G HN 0.661 nan 8.290 nan 0.000 0.524 56 E N 0.000 120.210 120.200 0.017 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.407 56.400 0.012 0.000 0.000 56 E CB 0.000 29.709 29.700 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000