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 1vq5_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 0.876 109.676 108.800 0.001 0.000 2.380 2 G HA2 0.451 4.411 3.960 0.000 0.000 0.242 2 G HA3 0.451 4.411 3.960 0.000 0.000 0.242 2 G C 1.038 175.939 174.900 0.001 0.000 1.298 2 G CA 0.004 45.105 45.100 0.001 0.000 0.878 2 G HN 1.037 nan 8.290 nan 0.000 0.542 3 A N 2.109 124.930 122.820 0.001 0.000 2.208 3 A HA 0.373 4.693 4.320 0.000 0.000 0.209 3 A C 1.795 179.381 177.584 0.003 0.000 1.161 3 A CA 1.337 53.375 52.037 0.002 0.000 0.782 3 A CB -0.202 18.799 19.000 0.001 0.000 0.816 3 A HN 0.893 nan 8.150 nan 0.000 0.477 4 G N -1.028 107.774 108.800 0.002 0.000 3.372 4 G HA2 0.239 4.199 3.960 0.000 0.000 0.178 4 G HA3 0.239 4.199 3.960 0.000 0.000 0.178 4 G C 1.204 176.105 174.900 0.003 0.000 1.817 4 G CA 0.879 45.980 45.100 0.003 0.000 0.996 4 G HN 0.202 nan 8.290 nan 0.000 0.559 5 T N 2.705 117.261 114.554 0.003 0.000 2.620 5 T HA -0.133 4.217 4.350 0.000 0.000 0.267 5 T C 0.053 174.755 174.700 0.003 0.000 1.044 5 T CA 2.117 64.219 62.100 0.003 0.000 1.161 5 T CB -1.180 67.689 68.868 0.002 0.000 0.862 5 T HN 0.352 nan 8.240 nan 0.000 0.438 6 P HA 0.028 nan 4.420 nan 0.000 0.218 6 P C 1.324 178.626 177.300 0.003 0.000 1.149 6 P CA 1.058 64.159 63.100 0.003 0.000 0.817 6 P CB -0.136 31.566 31.700 0.002 0.000 0.785 7 S N -0.335 115.367 115.700 0.003 0.000 2.607 7 S HA -0.011 4.459 4.470 0.000 0.000 0.224 7 S C 1.720 176.323 174.600 0.005 0.000 0.969 7 S CA 0.458 58.660 58.200 0.004 0.000 0.927 7 S CB -0.421 62.781 63.200 0.004 0.000 0.772 7 S HN 0.169 nan 8.310 nan 0.000 0.533 8 Q N 0.673 120.476 119.800 0.005 0.000 2.378 8 Q HA 0.130 4.470 4.340 0.000 0.000 0.205 8 Q C 2.169 178.172 176.000 0.005 0.000 0.954 8 Q CA 0.730 56.537 55.803 0.006 0.000 0.901 8 Q CB -0.863 27.879 28.738 0.005 0.000 0.981 8 Q HN 0.574 nan 8.270 nan 0.000 0.483 9 G N 1.220 110.022 108.800 0.004 0.000 2.471 9 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 9 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 9 G C 1.265 176.167 174.900 0.004 0.000 1.125 9 G CA 0.261 45.364 45.100 0.004 0.000 0.775 9 G HN 0.303 nan 8.290 nan 0.000 0.548 10 K N 0.221 120.624 120.400 0.004 0.000 2.487 10 K HA 0.094 4.414 4.320 0.000 0.000 0.192 10 K C 0.408 177.010 176.600 0.004 0.000 1.027 10 K CA 0.066 56.355 56.287 0.004 0.000 1.054 10 K CB 0.290 32.792 32.500 0.004 0.000 0.824 10 K HN 0.136 nan 8.250 nan 0.000 0.510 11 K N 2.888 123.291 120.400 0.005 0.000 2.155 11 K HA 0.026 4.346 4.320 0.000 0.000 0.240 11 K C 0.125 176.727 176.600 0.004 0.000 1.193 11 K CA -0.107 56.183 56.287 0.006 0.000 1.104 11 K CB -0.057 32.448 32.500 0.008 0.000 1.558 11 K HN 0.179 nan 8.250 nan 0.000 0.313 12 N N -0.088 118.613 118.700 0.002 0.000 2.305 12 N HA -0.000 4.740 4.740 0.000 0.000 0.248 12 N C -0.718 174.790 175.510 -0.004 0.000 1.290 12 N CA -0.448 52.602 53.050 0.000 0.000 0.873 12 N CB 0.627 39.114 38.487 0.001 0.000 1.261 12 N HN -0.070 nan 8.380 nan 0.000 0.504 13 T N 0.427 114.977 114.554 -0.007 0.000 2.875 13 T HA 0.361 4.711 4.350 0.000 0.000 0.284 13 T C -0.261 174.421 174.700 -0.031 0.000 0.995 13 T CA 0.082 62.172 62.100 -0.016 0.000 1.060 13 T CB 1.491 70.350 68.868 -0.016 0.000 0.967 13 T HN 0.024 nan 8.240 nan 0.000 0.476 14 T N 2.584 117.113 114.554 -0.042 0.000 2.749 14 T HA 0.442 4.792 4.350 0.000 0.000 0.287 14 T C 1.250 175.869 174.700 -0.135 0.000 0.970 14 T CA -0.594 61.470 62.100 -0.061 0.000 0.980 14 T CB 1.016 69.864 68.868 -0.034 0.000 0.924 14 T HN 0.862 nan 8.240 nan 0.000 0.456 15 T N -0.274 114.142 114.554 -0.230 0.000 3.478 15 T HA 0.169 4.519 4.350 0.000 0.000 0.223 15 T C 0.488 174.829 174.700 -0.598 0.000 0.958 15 T CA -0.240 61.520 62.100 -0.566 0.000 1.324 15 T CB -0.213 68.156 68.868 -0.832 0.000 1.262 15 T HN 0.536 nan 8.240 nan 0.000 0.379 16 H N 3.437 122.334 119.070 -0.289 0.000 2.848 16 H HA 0.475 5.031 4.556 0.000 0.000 0.317 16 H C 0.384 175.702 175.328 -0.017 0.000 1.046 16 H CA 0.772 56.746 56.048 -0.125 0.000 1.470 16 H CB 0.434 30.163 29.762 -0.055 0.000 1.483 16 H HN 0.722 nan 8.280 nan 0.000 0.548 17 T N -0.206 114.447 114.554 0.165 0.000 2.887 17 T HA 0.325 4.675 4.350 0.000 0.000 0.292 17 T C 0.017 174.837 174.700 0.200 0.000 1.087 17 T CA -1.366 60.833 62.100 0.165 0.000 1.009 17 T CB 2.224 71.191 68.868 0.164 0.000 1.203 17 T HN 0.323 nan 8.240 nan 0.000 0.518 18 K N 0.420 120.893 120.400 0.123 0.000 2.491 18 K HA 0.195 4.515 4.320 0.000 0.000 0.279 18 K C -0.149 176.491 176.600 0.066 0.000 1.026 18 K CA -0.287 56.047 56.287 0.078 0.000 1.070 18 K CB -0.386 32.135 32.500 0.034 0.000 0.887 18 K HN 0.777 nan 8.250 nan 0.000 0.481 19 C N 6.062 125.391 119.300 0.047 0.000 2.435 19 C HA 0.298 4.758 4.460 0.000 0.000 0.375 19 C C 1.806 176.680 174.990 -0.193 0.000 1.281 19 C CA -0.628 58.362 59.018 -0.046 0.000 1.963 19 C CB 0.118 27.897 27.740 0.064 0.000 2.490 19 C HN 1.117 nan 8.230 nan 0.000 0.557 20 R N 2.603 122.896 120.500 -0.346 0.000 2.120 20 R HA -0.095 4.245 4.340 0.000 0.000 0.234 20 R C 2.385 178.401 176.300 -0.472 0.000 1.123 20 R CA 1.599 57.481 56.100 -0.365 0.000 0.975 20 R CB -0.210 29.870 30.300 -0.366 0.000 0.866 20 R HN 0.831 nan 8.270 nan 0.000 0.446 21 R N -0.101 119.974 120.500 -0.709 0.000 2.066 21 R HA -0.081 4.259 4.340 0.000 0.000 0.224 21 R C 2.296 178.422 176.300 -0.291 0.000 1.122 21 R CA 1.659 57.380 56.100 -0.631 0.000 0.974 21 R CB -0.102 29.649 30.300 -0.915 0.000 0.871 21 R HN 0.468 nan 8.270 nan 0.000 0.435 22 C N -2.447 116.741 119.300 -0.187 0.000 3.019 22 C HA 0.520 4.980 4.460 0.000 0.000 0.295 22 C C 1.505 176.458 174.990 -0.062 0.000 1.256 22 C CA 0.218 59.183 59.018 -0.090 0.000 1.706 22 C CB 0.307 28.028 27.740 -0.031 0.000 2.153 22 C HN 0.674 nan 8.230 nan 0.000 0.618 23 G N 0.707 109.467 108.800 -0.066 0.000 2.176 23 G HA2 -0.162 3.798 3.960 0.000 0.000 0.253 23 G HA3 -0.162 3.798 3.960 0.000 0.000 0.253 23 G C -0.262 174.635 174.900 -0.004 0.000 0.979 23 G CA 0.441 45.518 45.100 -0.039 0.000 0.641 23 G HN 0.624 nan 8.290 nan 0.000 0.530 24 E N 0.263 120.473 120.200 0.016 0.000 2.313 24 E HA 0.279 4.629 4.350 0.000 0.000 0.272 24 E C 0.508 177.151 176.600 0.071 0.000 1.038 24 E CA -0.613 55.810 56.400 0.038 0.000 0.863 24 E CB 1.086 30.813 29.700 0.045 0.000 1.060 24 E HN 0.317 nan 8.360 nan 0.000 0.402 25 K N 1.471 121.910 120.400 0.066 0.000 3.233 25 K HA 0.091 4.411 4.320 0.000 0.000 0.283 25 K C -0.219 176.458 176.600 0.128 0.000 1.209 25 K CA 0.120 56.463 56.287 0.094 0.000 1.197 25 K CB -0.240 32.299 32.500 0.065 0.000 1.431 25 K HN 0.177 nan 8.250 nan 0.000 0.326 26 S N 0.372 116.177 115.700 0.175 0.000 2.701 26 S HA 0.022 4.492 4.470 0.000 0.000 0.242 26 S C -0.607 174.240 174.600 0.411 0.000 1.025 26 S CA -0.503 57.828 58.200 0.219 0.000 1.016 26 S CB -0.003 63.274 63.200 0.129 0.000 0.977 26 S HN 0.437 nan 8.310 nan 0.000 0.546 27 Y N 3.530 123.966 120.300 0.226 0.000 2.539 27 Y HA 0.270 4.820 4.550 0.000 0.000 0.352 27 Y C 0.349 176.344 175.900 0.159 0.000 1.004 27 Y CA -1.119 57.109 58.100 0.214 0.000 1.278 27 Y CB -0.329 38.237 38.460 0.177 0.000 1.136 27 Y HN 0.228 nan 8.280 nan 0.000 0.528 28 H N 4.309 123.195 119.070 -0.307 0.000 3.160 28 H HA 0.038 4.594 4.556 0.000 0.000 0.257 28 H C 1.419 176.426 175.328 -0.535 0.000 1.140 28 H CA 0.615 56.389 56.048 -0.456 0.000 1.492 28 H CB 0.786 30.312 29.762 -0.394 0.000 1.529 28 H HN 0.861 nan 8.280 nan 0.000 0.490 29 T N 3.597 117.975 114.554 -0.292 0.000 3.077 29 T HA -0.076 4.274 4.350 0.000 0.000 0.269 29 T C 1.715 176.391 174.700 -0.040 0.000 1.146 29 T CA 1.047 63.066 62.100 -0.135 0.000 1.091 29 T CB -0.090 68.765 68.868 -0.020 0.000 0.892 29 T HN 0.515 nan 8.240 nan 0.000 0.533 30 K N 0.670 121.135 120.400 0.108 0.000 2.168 30 K HA 0.156 4.477 4.320 0.000 0.000 0.201 30 K C 2.078 178.677 176.600 -0.001 0.000 1.049 30 K CA 0.785 57.133 56.287 0.101 0.000 0.974 30 K CB 0.002 32.613 32.500 0.184 0.000 0.792 30 K HN 0.358 nan 8.250 nan 0.000 0.463 31 K N 0.826 121.189 120.400 -0.061 0.000 2.361 31 K HA 0.065 4.385 4.320 0.000 0.000 0.196 31 K C -0.181 176.300 176.600 -0.198 0.000 1.039 31 K CA -0.043 56.113 56.287 -0.218 0.000 1.001 31 K CB 0.299 32.557 32.500 -0.404 0.000 0.795 31 K HN -0.150 nan 8.250 nan 0.000 0.495 32 K N 0.573 120.798 120.400 -0.291 0.000 3.150 32 K HA -0.136 4.184 4.320 0.000 0.000 0.267 32 K C -1.102 175.304 176.600 -0.323 0.000 1.028 32 K CA 0.422 56.472 56.287 -0.396 0.000 0.753 32 K CB -2.255 30.198 32.500 -0.078 0.000 1.288 32 K HN 0.065 nan 8.250 nan 0.000 0.473 33 V N -0.017 119.659 119.914 -0.397 0.000 2.777 33 V HA 0.199 4.319 4.120 0.000 0.000 0.306 33 V C -0.038 176.089 176.094 0.054 0.000 1.112 33 V CA -1.199 61.053 62.300 -0.081 0.000 0.917 33 V CB 2.461 34.253 31.823 -0.052 0.000 1.018 33 V HN 0.486 nan 8.190 nan 0.000 0.426 34 C N 4.051 123.537 119.300 0.309 0.000 2.415 34 C HA 0.393 4.853 4.460 0.000 0.000 0.369 34 C C 1.978 177.121 174.990 0.256 0.000 1.279 34 C CA 0.381 59.624 59.018 0.375 0.000 1.886 34 C CB 0.415 28.429 27.740 0.458 0.000 2.468 34 C HN 1.123 nan 8.230 nan 0.000 0.553 35 S N 3.356 119.205 115.700 0.248 0.000 2.522 35 S HA -0.079 4.391 4.470 0.000 0.000 0.227 35 S C 1.624 176.321 174.600 0.162 0.000 0.986 35 S CA 1.312 59.629 58.200 0.194 0.000 0.929 35 S CB -0.088 63.216 63.200 0.174 0.000 0.769 35 S HN 0.826 nan 8.310 nan 0.000 0.529 36 S N 0.647 116.441 115.700 0.158 0.000 2.384 36 S HA 0.003 4.473 4.470 0.000 0.000 0.217 36 S C 1.976 176.644 174.600 0.113 0.000 1.041 36 S CA 0.741 59.013 58.200 0.120 0.000 0.948 36 S CB -0.516 62.740 63.200 0.094 0.000 0.872 36 S HN 0.882 nan 8.310 nan 0.000 0.512 37 C N 0.278 119.656 119.300 0.130 0.000 2.926 37 C HA 0.683 5.143 4.460 0.000 0.000 0.272 37 C C 1.809 176.882 174.990 0.139 0.000 1.249 37 C CA 0.288 59.369 59.018 0.106 0.000 1.691 37 C CB -0.514 27.276 27.740 0.083 0.000 1.983 37 C HN 0.828 nan 8.230 nan 0.000 0.615 38 G N 0.267 109.178 108.800 0.185 0.000 2.176 38 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 38 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 38 G C -0.149 174.884 174.900 0.222 0.000 0.979 38 G CA 0.201 45.406 45.100 0.174 0.000 0.641 38 G HN 0.733 nan 8.290 nan 0.000 0.530 39 F N 1.711 121.731 119.950 0.117 0.000 2.623 39 F HA 0.392 4.919 4.527 0.000 0.000 0.383 39 F C 1.597 177.509 175.800 0.187 0.000 1.077 39 F CA 1.526 59.603 58.000 0.129 0.000 1.268 39 F CB 0.582 39.655 39.000 0.121 0.000 1.053 39 F HN 1.180 nan 8.300 nan 0.000 0.571 40 G N 4.425 112.941 108.800 -0.473 0.000 2.234 40 G HA2 -0.338 3.622 3.960 0.000 0.000 0.235 40 G HA3 -0.338 3.622 3.960 0.000 0.000 0.235 40 G C 1.130 175.948 174.900 -0.137 0.000 0.997 40 G CA 0.481 45.363 45.100 -0.363 0.000 0.623 40 G HN 0.754 nan 8.290 nan 0.000 0.514 41 K N -0.098 120.274 120.400 -0.046 0.000 2.380 41 K HA 0.421 4.741 4.320 0.000 0.000 0.200 41 K C 0.773 177.379 176.600 0.010 0.000 1.201 41 K CA 1.047 57.330 56.287 -0.007 0.000 0.916 41 K CB 0.490 33.009 32.500 0.031 0.000 1.187 41 K HN 0.469 nan 8.250 nan 0.000 0.498 42 S N -0.867 114.854 115.700 0.036 0.000 2.526 42 S HA 0.567 5.037 4.470 0.000 0.000 0.293 42 S C 0.284 174.922 174.600 0.063 0.000 1.092 42 S CA -0.280 57.945 58.200 0.042 0.000 0.980 42 S CB 1.861 65.087 63.200 0.042 0.000 1.048 42 S HN 0.280 nan 8.310 nan 0.000 0.483 43 A N 4.297 127.145 122.820 0.046 0.000 1.929 43 A HA 0.206 4.526 4.320 0.000 0.000 0.216 43 A C 0.869 178.484 177.584 0.052 0.000 1.176 43 A CA 0.870 52.943 52.037 0.059 0.000 0.628 43 A CB -0.383 18.640 19.000 0.038 0.000 0.816 43 A HN 0.781 nan 8.150 nan 0.000 0.444 44 K N 0.673 121.088 120.400 0.026 0.000 2.237 44 K HA 0.269 4.589 4.320 0.000 0.000 0.270 44 K C -0.271 176.332 176.600 0.004 0.000 1.015 44 K CA -0.614 55.674 56.287 0.003 0.000 0.949 44 K CB 0.488 32.975 32.500 -0.022 0.000 0.976 44 K HN 0.136 nan 8.250 nan 0.000 0.472 45 R N 2.387 122.878 120.500 -0.015 0.000 2.442 45 R HA 0.047 4.387 4.340 0.000 0.000 0.291 45 R C 0.241 176.499 176.300 -0.070 0.000 1.069 45 R CA -0.092 55.996 56.100 -0.020 0.000 1.022 45 R CB 0.382 30.662 30.300 -0.033 0.000 0.976 45 R HN 0.597 nan 8.270 nan 0.000 0.443 46 R N 1.930 122.400 120.500 -0.050 0.000 2.522 46 R HA -0.053 4.287 4.340 0.000 0.000 0.284 46 R C -0.834 175.325 176.300 -0.235 0.000 1.032 46 R CA 0.686 56.714 56.100 -0.120 0.000 1.049 46 R CB 0.268 30.584 30.300 0.026 0.000 0.956 46 R HN 0.552 nan 8.270 nan 0.000 0.422 47 D N 2.746 122.826 120.400 -0.534 0.000 2.769 47 D HA 0.284 4.924 4.640 0.000 0.000 0.219 47 D C -1.944 173.764 176.300 -0.986 0.000 1.245 47 D CA -0.321 53.358 54.000 -0.535 0.000 0.801 47 D CB 0.755 41.364 40.800 -0.319 0.000 1.598 47 D HN 0.395 nan 8.370 nan 0.000 0.485 48 Y N 0.894 120.899 120.300 -0.493 0.000 2.524 48 Y HA 0.295 4.845 4.550 0.000 0.000 0.347 48 Y C 1.135 176.687 175.900 -0.580 0.000 1.005 48 Y CA -0.823 56.857 58.100 -0.699 0.000 1.025 48 Y CB 2.035 39.539 38.460 -1.593 0.000 1.275 48 Y HN 0.230 nan 8.280 nan 0.000 0.460 49 E N 1.712 121.791 120.200 -0.201 0.000 2.268 49 E HA -0.133 4.217 4.350 0.000 0.000 0.195 49 E C 1.469 178.084 176.600 0.025 0.000 0.995 49 E CA 0.936 57.299 56.400 -0.062 0.000 0.836 49 E CB -0.068 29.652 29.700 0.033 0.000 0.763 49 E HN 0.838 nan 8.360 nan 0.000 0.491 50 W N 0.687 122.055 121.300 0.113 0.000 3.077 50 W HA 0.085 4.745 4.660 0.000 0.000 0.245 50 W C 0.698 177.254 176.519 0.062 0.000 1.316 50 W CA -0.117 57.268 57.345 0.067 0.000 1.537 50 W CB -0.536 28.946 29.460 0.037 0.000 1.131 50 W HN 0.045 nan 8.180 nan 0.000 0.695 51 Q N 1.675 121.481 119.800 0.010 0.000 2.482 51 Q HA -0.018 4.322 4.340 0.000 0.000 0.209 51 Q C 0.806 176.849 176.000 0.071 0.000 0.961 51 Q CA 0.848 56.670 55.803 0.031 0.000 0.945 51 Q CB 0.168 28.824 28.738 -0.137 0.000 1.012 51 Q HN 0.252 nan 8.270 nan 0.000 0.515 52 S N -1.494 114.256 115.700 0.082 0.000 2.625 52 S HA 0.415 4.885 4.470 0.000 0.000 0.271 52 S C -0.949 173.699 174.600 0.080 0.000 1.161 52 S CA -1.229 57.010 58.200 0.065 0.000 0.820 52 S CB 1.603 64.820 63.200 0.028 0.000 1.137 52 S HN -0.187 nan 8.310 nan 0.000 0.470 53 K N 0.768 121.204 120.400 0.060 0.000 2.414 53 K HA 0.347 4.667 4.320 0.000 0.000 0.272 53 K C 1.626 178.258 176.600 0.054 0.000 0.993 53 K CA 0.491 56.812 56.287 0.057 0.000 0.964 53 K CB 0.509 33.034 32.500 0.040 0.000 0.925 53 K HN 0.818 nan 8.250 nan 0.000 0.487 54 A N 2.814 125.668 122.820 0.057 0.000 1.917 54 A HA -0.145 4.175 4.320 0.000 0.000 0.219 54 A C 1.816 179.421 177.584 0.036 0.000 1.182 54 A CA 2.238 54.306 52.037 0.052 0.000 0.633 54 A CB -0.607 18.424 19.000 0.051 0.000 0.819 54 A HN 0.776 nan 8.150 nan 0.000 0.448 55 G N -1.367 107.451 108.800 0.029 0.000 3.141 55 G HA2 0.335 4.295 3.960 0.000 0.000 0.218 55 G HA3 0.335 4.295 3.960 0.000 0.000 0.218 55 G C 0.370 175.281 174.900 0.018 0.000 1.170 55 G CA 0.497 45.610 45.100 0.021 0.000 0.769 55 G HN 0.606 nan 8.290 nan 0.000 0.546 56 E N 0.000 120.212 120.200 0.020 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.409 56.400 0.015 0.000 0.000 56 E CB 0.000 29.710 29.700 0.018 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000