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 3cd6_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 0.628 109.429 108.800 0.001 0.000 2.432 2 G HA2 0.508 4.468 3.960 0.000 0.000 0.257 2 G HA3 0.508 4.468 3.960 0.000 0.000 0.257 2 G C 1.002 175.903 174.900 0.002 0.000 1.238 2 G CA -0.144 44.956 45.100 0.001 0.000 0.838 2 G HN 1.037 nan 8.290 nan 0.000 0.547 3 A N 1.939 124.759 122.820 0.001 0.000 2.206 3 A HA 0.324 4.644 4.320 0.000 0.000 0.211 3 A C 1.834 179.419 177.584 0.002 0.000 1.158 3 A CA 1.380 53.418 52.037 0.002 0.000 0.761 3 A CB -0.306 18.695 19.000 0.002 0.000 0.801 3 A HN 0.876 nan 8.150 nan 0.000 0.473 4 G N -0.902 107.899 108.800 0.002 0.000 3.311 4 G HA2 0.205 4.165 3.960 0.000 0.000 0.169 4 G HA3 0.205 4.165 3.960 0.000 0.000 0.169 4 G C 1.238 176.139 174.900 0.003 0.000 1.852 4 G CA 0.903 46.005 45.100 0.002 0.000 1.010 4 G HN 0.235 nan 8.290 nan 0.000 0.530 5 T N 2.607 117.163 114.554 0.003 0.000 2.653 5 T HA -0.114 4.236 4.350 0.000 0.000 0.268 5 T C -0.079 174.622 174.700 0.003 0.000 1.035 5 T CA 1.920 64.022 62.100 0.003 0.000 1.154 5 T CB -1.086 67.783 68.868 0.002 0.000 0.862 5 T HN 0.385 nan 8.240 nan 0.000 0.441 6 P HA 0.169 nan 4.420 nan 0.000 0.237 6 P C 0.925 178.227 177.300 0.003 0.000 1.178 6 P CA 0.745 63.847 63.100 0.003 0.000 0.766 6 P CB 0.040 31.741 31.700 0.002 0.000 0.876 7 S N -0.401 115.301 115.700 0.004 0.000 2.517 7 S HA 0.043 4.513 4.470 0.000 0.000 0.214 7 S C 1.699 176.302 174.600 0.005 0.000 0.991 7 S CA 0.190 58.393 58.200 0.004 0.000 0.906 7 S CB -0.153 63.050 63.200 0.004 0.000 0.789 7 S HN 0.125 nan 8.310 nan 0.000 0.513 8 Q N 0.762 120.565 119.800 0.005 0.000 2.389 8 Q HA 0.151 4.491 4.340 0.000 0.000 0.204 8 Q C 2.094 178.097 176.000 0.006 0.000 0.944 8 Q CA 0.751 56.557 55.803 0.006 0.000 0.908 8 Q CB -0.799 27.942 28.738 0.005 0.000 1.002 8 Q HN 0.557 nan 8.270 nan 0.000 0.493 9 G N 1.053 109.856 108.800 0.005 0.000 2.443 9 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 9 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 9 G C 1.284 176.186 174.900 0.004 0.000 1.131 9 G CA 0.174 45.277 45.100 0.004 0.000 0.775 9 G HN 0.268 nan 8.290 nan 0.000 0.547 10 K N 0.247 120.650 120.400 0.005 0.000 2.522 10 K HA 0.100 4.420 4.320 0.000 0.000 0.194 10 K C 0.231 176.834 176.600 0.005 0.000 1.026 10 K CA 0.075 56.365 56.287 0.005 0.000 1.119 10 K CB 0.242 32.745 32.500 0.005 0.000 0.856 10 K HN 0.156 nan 8.250 nan 0.000 0.513 11 K N 2.365 122.769 120.400 0.006 0.000 2.180 11 K HA 0.054 4.374 4.320 0.000 0.000 0.250 11 K C 0.059 176.662 176.600 0.005 0.000 1.135 11 K CA -0.192 56.099 56.287 0.006 0.000 1.037 11 K CB 0.168 32.673 32.500 0.009 0.000 1.624 11 K HN 0.126 nan 8.250 nan 0.000 0.382 12 N N -0.222 118.480 118.700 0.003 0.000 2.241 12 N HA -0.006 4.734 4.740 0.000 0.000 0.238 12 N C -0.578 174.931 175.510 -0.002 0.000 1.244 12 N CA -0.417 52.634 53.050 0.002 0.000 0.880 12 N CB 0.598 39.086 38.487 0.003 0.000 1.179 12 N HN -0.044 nan 8.380 nan 0.000 0.513 13 T N 0.401 114.952 114.554 -0.005 0.000 2.889 13 T HA 0.355 4.705 4.350 0.000 0.000 0.291 13 T C -0.247 174.437 174.700 -0.027 0.000 0.995 13 T CA 0.098 62.190 62.100 -0.013 0.000 1.092 13 T CB 1.383 70.244 68.868 -0.012 0.000 0.954 13 T HN 0.034 nan 8.240 nan 0.000 0.506 14 T N 2.447 116.979 114.554 -0.038 0.000 2.767 14 T HA 0.475 4.825 4.350 0.000 0.000 0.284 14 T C 1.182 175.806 174.700 -0.128 0.000 0.973 14 T CA -0.641 61.426 62.100 -0.055 0.000 0.996 14 T CB 1.143 69.996 68.868 -0.027 0.000 0.927 14 T HN 0.865 nan 8.240 nan 0.000 0.456 15 T N -0.552 113.869 114.554 -0.222 0.000 3.447 15 T HA 0.167 4.517 4.350 0.000 0.000 0.218 15 T C 0.425 174.790 174.700 -0.559 0.000 0.972 15 T CA -0.254 61.506 62.100 -0.567 0.000 1.264 15 T CB -0.192 68.153 68.868 -0.871 0.000 1.284 15 T HN 0.538 nan 8.240 nan 0.000 0.361 16 H N 3.664 122.579 119.070 -0.258 0.000 2.955 16 H HA 0.462 5.018 4.556 0.000 0.000 0.290 16 H C 0.350 175.677 175.328 -0.001 0.000 1.047 16 H CA 0.648 56.640 56.048 -0.094 0.000 1.484 16 H CB 0.249 29.985 29.762 -0.044 0.000 1.501 16 H HN 0.692 nan 8.280 nan 0.000 0.521 17 T N 0.132 114.783 114.554 0.161 0.000 2.907 17 T HA 0.304 4.654 4.350 0.000 0.000 0.290 17 T C 0.142 174.960 174.700 0.195 0.000 1.066 17 T CA -1.322 60.876 62.100 0.163 0.000 1.012 17 T CB 2.239 71.207 68.868 0.167 0.000 1.184 17 T HN 0.361 nan 8.240 nan 0.000 0.522 18 K N 0.381 120.855 120.400 0.123 0.000 2.436 18 K HA 0.218 4.538 4.320 0.000 0.000 0.282 18 K C -0.021 176.615 176.600 0.061 0.000 1.044 18 K CA -0.513 55.823 56.287 0.082 0.000 1.028 18 K CB -0.125 32.397 32.500 0.035 0.000 0.919 18 K HN 0.730 nan 8.250 nan 0.000 0.474 19 C N 5.308 124.643 119.300 0.060 0.000 2.585 19 C HA 0.178 4.638 4.460 0.000 0.000 0.406 19 C C 1.929 176.819 174.990 -0.167 0.000 1.312 19 C CA -0.466 58.535 59.018 -0.027 0.000 1.924 19 C CB -0.029 27.765 27.740 0.089 0.000 2.578 19 C HN 1.046 nan 8.230 nan 0.000 0.580 20 R N 2.606 122.921 120.500 -0.309 0.000 2.120 20 R HA -0.095 4.245 4.340 0.000 0.000 0.234 20 R C 2.403 178.441 176.300 -0.437 0.000 1.123 20 R CA 1.573 57.474 56.100 -0.332 0.000 0.975 20 R CB -0.189 29.917 30.300 -0.323 0.000 0.866 20 R HN 0.823 nan 8.270 nan 0.000 0.446 21 R N -0.193 119.923 120.500 -0.640 0.000 2.064 21 R HA -0.072 4.268 4.340 0.000 0.000 0.221 21 R C 2.346 178.482 176.300 -0.273 0.000 1.136 21 R CA 1.597 57.346 56.100 -0.584 0.000 0.980 21 R CB -0.175 29.607 30.300 -0.864 0.000 0.876 21 R HN 0.447 nan 8.270 nan 0.000 0.437 22 C N -1.704 117.492 119.300 -0.172 0.000 2.865 22 C HA 0.481 4.941 4.460 0.000 0.000 0.280 22 C C 1.479 176.437 174.990 -0.054 0.000 1.255 22 C CA 0.202 59.171 59.018 -0.082 0.000 1.705 22 C CB 0.065 27.790 27.740 -0.027 0.000 2.080 22 C HN 0.712 nan 8.230 nan 0.000 0.591 23 G N 0.797 109.563 108.800 -0.057 0.000 2.162 23 G HA2 -0.165 3.795 3.960 0.000 0.000 0.260 23 G HA3 -0.165 3.795 3.960 0.000 0.000 0.260 23 G C -0.265 174.636 174.900 0.001 0.000 0.976 23 G CA 0.543 45.623 45.100 -0.033 0.000 0.655 23 G HN 0.660 nan 8.290 nan 0.000 0.533 24 E N -0.005 120.209 120.200 0.024 0.000 2.283 24 E HA 0.298 4.648 4.350 0.000 0.000 0.271 24 E C 0.368 177.015 176.600 0.079 0.000 1.031 24 E CA -0.765 55.662 56.400 0.045 0.000 0.868 24 E CB 1.040 30.770 29.700 0.051 0.000 1.094 24 E HN 0.257 nan 8.360 nan 0.000 0.401 25 K N 1.383 121.828 120.400 0.074 0.000 2.715 25 K HA 0.109 4.429 4.320 0.000 0.000 0.248 25 K C -0.285 176.402 176.600 0.145 0.000 1.276 25 K CA 0.165 56.513 56.287 0.102 0.000 1.209 25 K CB -0.289 32.253 32.500 0.070 0.000 1.509 25 K HN 0.200 nan 8.250 nan 0.000 0.261 26 S N 0.741 116.568 115.700 0.212 0.000 2.847 26 S HA 0.017 4.487 4.470 0.000 0.000 0.254 26 S C -0.708 174.164 174.600 0.453 0.000 1.039 26 S CA -0.492 57.889 58.200 0.301 0.000 1.113 26 S CB 0.039 63.347 63.200 0.180 0.000 1.092 26 S HN 0.465 nan 8.310 nan 0.000 0.620 27 Y N 3.594 124.032 120.300 0.230 0.000 2.539 27 Y HA 0.294 4.844 4.550 0.000 0.000 0.352 27 Y C 0.352 176.321 175.900 0.116 0.000 1.004 27 Y CA -0.953 57.263 58.100 0.192 0.000 1.278 27 Y CB -0.314 38.248 38.460 0.169 0.000 1.136 27 Y HN 0.247 nan 8.280 nan 0.000 0.528 28 H N 4.210 123.081 119.070 -0.331 0.000 3.160 28 H HA 0.037 4.593 4.556 0.000 0.000 0.257 28 H C 1.418 176.443 175.328 -0.505 0.000 1.140 28 H CA 0.495 56.256 56.048 -0.479 0.000 1.492 28 H CB 0.822 30.314 29.762 -0.450 0.000 1.529 28 H HN 0.844 nan 8.280 nan 0.000 0.490 29 T N 3.234 117.654 114.554 -0.225 0.000 3.077 29 T HA -0.083 4.267 4.350 0.000 0.000 0.269 29 T C 1.483 176.162 174.700 -0.036 0.000 1.146 29 T CA 1.377 63.415 62.100 -0.104 0.000 1.091 29 T CB 0.024 68.895 68.868 0.005 0.000 0.892 29 T HN 0.630 nan 8.240 nan 0.000 0.533 30 K N -0.412 120.039 120.400 0.086 0.000 2.287 30 K HA 0.202 4.522 4.320 0.000 0.000 0.199 30 K C 2.167 178.743 176.600 -0.040 0.000 1.061 30 K CA 0.369 56.694 56.287 0.063 0.000 0.976 30 K CB 0.306 32.879 32.500 0.122 0.000 0.898 30 K HN 0.154 nan 8.250 nan 0.000 0.492 31 K N 0.560 120.886 120.400 -0.123 0.000 2.361 31 K HA 0.077 4.397 4.320 0.000 0.000 0.196 31 K C -0.065 176.395 176.600 -0.234 0.000 1.039 31 K CA 0.203 56.333 56.287 -0.261 0.000 1.001 31 K CB 0.460 32.682 32.500 -0.463 0.000 0.795 31 K HN -0.145 nan 8.250 nan 0.000 0.495 32 K N 0.065 120.271 120.400 -0.323 0.000 3.160 32 K HA -0.137 4.183 4.320 0.000 0.000 0.280 32 K C -0.930 175.408 176.600 -0.438 0.000 1.154 32 K CA 0.494 56.502 56.287 -0.464 0.000 0.822 32 K CB -2.464 29.944 32.500 -0.154 0.000 1.239 32 K HN 0.043 nan 8.250 nan 0.000 0.489 33 V N 0.245 119.923 119.914 -0.392 0.000 2.656 33 V HA 0.284 4.404 4.120 0.000 0.000 0.307 33 V C 0.295 176.383 176.094 -0.010 0.000 1.051 33 V CA -1.155 61.066 62.300 -0.132 0.000 0.893 33 V CB 2.376 34.154 31.823 -0.075 0.000 0.999 33 V HN 0.373 nan 8.190 nan 0.000 0.426 34 C N 4.029 123.464 119.300 0.225 0.000 2.325 34 C HA 0.371 4.831 4.460 0.000 0.000 0.347 34 C C 1.946 177.081 174.990 0.241 0.000 1.263 34 C CA 0.232 59.446 59.018 0.326 0.000 1.806 34 C CB 0.301 28.310 27.740 0.447 0.000 2.405 34 C HN 1.102 nan 8.230 nan 0.000 0.537 35 S N 3.283 119.135 115.700 0.252 0.000 2.515 35 S HA -0.084 4.386 4.470 0.000 0.000 0.231 35 S C 1.597 176.304 174.600 0.177 0.000 0.987 35 S CA 1.356 59.684 58.200 0.213 0.000 0.936 35 S CB -0.073 63.262 63.200 0.226 0.000 0.766 35 S HN 0.829 nan 8.310 nan 0.000 0.528 36 S N 0.400 116.200 115.700 0.166 0.000 2.444 36 S HA 0.026 4.496 4.470 0.000 0.000 0.223 36 S C 1.923 176.587 174.600 0.107 0.000 1.054 36 S CA 0.650 58.924 58.200 0.124 0.000 0.947 36 S CB -0.383 62.876 63.200 0.099 0.000 0.850 36 S HN 0.877 nan 8.310 nan 0.000 0.527 37 C N 0.038 119.412 119.300 0.124 0.000 3.065 37 C HA 0.685 5.145 4.460 0.000 0.000 0.285 37 C C 1.750 176.815 174.990 0.125 0.000 1.257 37 C CA 0.411 59.487 59.018 0.096 0.000 1.691 37 C CB -0.388 27.399 27.740 0.078 0.000 2.089 37 C HN 0.833 nan 8.230 nan 0.000 0.630 38 G N 0.565 109.471 108.800 0.176 0.000 2.143 38 G HA2 -0.249 3.711 3.960 0.000 0.000 0.249 38 G HA3 -0.249 3.711 3.960 0.000 0.000 0.249 38 G C -0.229 174.802 174.900 0.218 0.000 0.981 38 G CA 0.206 45.406 45.100 0.167 0.000 0.665 38 G HN 0.776 nan 8.290 nan 0.000 0.528 39 F N 1.534 121.555 119.950 0.118 0.000 2.578 39 F HA 0.428 4.955 4.527 0.000 0.000 0.381 39 F C 1.514 177.427 175.800 0.188 0.000 1.069 39 F CA 1.068 59.148 58.000 0.133 0.000 1.231 39 F CB 0.617 39.698 39.000 0.135 0.000 1.086 39 F HN 1.105 nan 8.300 nan 0.000 0.564 40 G N 4.626 113.196 108.800 -0.383 0.000 2.232 40 G HA2 -0.316 3.644 3.960 0.000 0.000 0.226 40 G HA3 -0.316 3.644 3.960 0.000 0.000 0.226 40 G C 1.155 175.982 174.900 -0.123 0.000 0.996 40 G CA 0.400 45.304 45.100 -0.327 0.000 0.626 40 G HN 0.705 nan 8.290 nan 0.000 0.509 41 K N 0.424 120.803 120.400 -0.035 0.000 2.306 41 K HA 0.366 4.686 4.320 0.000 0.000 0.200 41 K C 0.919 177.527 176.600 0.014 0.000 1.083 41 K CA 1.323 57.609 56.287 -0.002 0.000 0.959 41 K CB 0.381 32.900 32.500 0.032 0.000 0.994 41 K HN 0.788 nan 8.250 nan 0.000 0.492 42 S N -1.475 114.248 115.700 0.039 0.000 2.546 42 S HA 0.569 5.039 4.470 0.000 0.000 0.274 42 S C 0.393 175.033 174.600 0.067 0.000 1.121 42 S CA -0.497 57.728 58.200 0.041 0.000 0.887 42 S CB 1.821 65.040 63.200 0.031 0.000 1.094 42 S HN 0.139 nan 8.310 nan 0.000 0.474 43 A N 1.812 124.662 122.820 0.050 0.000 1.929 43 A HA 0.170 4.490 4.320 0.000 0.000 0.216 43 A C 0.956 178.568 177.584 0.048 0.000 1.176 43 A CA 0.824 52.898 52.037 0.061 0.000 0.628 43 A CB -0.512 18.511 19.000 0.038 0.000 0.816 43 A HN 0.792 nan 8.150 nan 0.000 0.444 44 K N 0.384 120.797 120.400 0.022 0.000 2.202 44 K HA 0.281 4.601 4.320 0.000 0.000 0.264 44 K C -0.138 176.458 176.600 -0.006 0.000 1.010 44 K CA -0.565 55.719 56.287 -0.004 0.000 0.940 44 K CB 0.470 32.953 32.500 -0.028 0.000 0.983 44 K HN 0.144 nan 8.250 nan 0.000 0.475 45 R N 2.134 122.616 120.500 -0.030 0.000 2.390 45 R HA 0.080 4.420 4.340 0.000 0.000 0.291 45 R C 0.112 176.352 176.300 -0.100 0.000 1.070 45 R CA -0.262 55.815 56.100 -0.039 0.000 1.014 45 R CB 0.757 31.028 30.300 -0.047 0.000 1.007 45 R HN 0.575 nan 8.270 nan 0.000 0.466 46 R N 2.323 122.768 120.500 -0.091 0.000 2.343 46 R HA -0.016 4.324 4.340 0.000 0.000 0.326 46 R C -0.924 175.210 176.300 -0.278 0.000 1.055 46 R CA 0.347 56.330 56.100 -0.195 0.000 0.961 46 R CB 0.107 30.380 30.300 -0.045 0.000 0.978 46 R HN 0.592 nan 8.270 nan 0.000 0.443 47 D N 3.231 123.329 120.400 -0.504 0.000 2.756 47 D HA 0.333 4.973 4.640 0.000 0.000 0.226 47 D C -1.831 173.994 176.300 -0.792 0.000 1.186 47 D CA -0.358 53.370 54.000 -0.452 0.000 0.845 47 D CB 1.018 41.648 40.800 -0.284 0.000 1.610 47 D HN 0.435 nan 8.370 nan 0.000 0.465 48 Y N 0.886 120.917 120.300 -0.448 0.000 2.534 48 Y HA 0.259 4.809 4.550 0.000 0.000 0.345 48 Y C 0.816 176.380 175.900 -0.560 0.000 1.031 48 Y CA -0.837 56.872 58.100 -0.652 0.000 1.022 48 Y CB 2.282 39.895 38.460 -1.411 0.000 1.292 48 Y HN 0.318 nan 8.280 nan 0.000 0.459 49 E N 1.896 121.986 120.200 -0.183 0.000 2.347 49 E HA -0.116 4.234 4.350 0.000 0.000 0.196 49 E C 1.459 178.075 176.600 0.028 0.000 1.008 49 E CA 0.815 57.180 56.400 -0.059 0.000 0.852 49 E CB -0.016 29.701 29.700 0.029 0.000 0.783 49 E HN 0.807 nan 8.360 nan 0.000 0.505 50 W N 0.448 121.810 121.300 0.102 0.000 3.077 50 W HA 0.081 4.741 4.660 0.000 0.000 0.245 50 W C 0.761 177.313 176.519 0.055 0.000 1.316 50 W CA -0.123 57.256 57.345 0.057 0.000 1.537 50 W CB -0.471 29.003 29.460 0.022 0.000 1.131 50 W HN 0.033 nan 8.180 nan 0.000 0.695 51 Q N 1.729 121.556 119.800 0.044 0.000 2.488 51 Q HA -0.028 4.312 4.340 0.000 0.000 0.211 51 Q C 0.845 176.894 176.000 0.081 0.000 0.967 51 Q CA 0.941 56.776 55.803 0.054 0.000 0.926 51 Q CB 0.148 28.811 28.738 -0.125 0.000 0.992 51 Q HN 0.229 nan 8.270 nan 0.000 0.506 52 S N -1.241 114.511 115.700 0.085 0.000 2.651 52 S HA 0.447 4.917 4.470 0.000 0.000 0.279 52 S C -0.834 173.817 174.600 0.084 0.000 1.148 52 S CA -1.227 57.013 58.200 0.066 0.000 0.837 52 S CB 1.844 65.062 63.200 0.030 0.000 1.138 52 S HN -0.188 nan 8.310 nan 0.000 0.478 53 K N 0.841 121.279 120.400 0.064 0.000 2.382 53 K HA 0.369 4.689 4.320 0.000 0.000 0.275 53 K C 1.636 178.268 176.600 0.054 0.000 1.009 53 K CA 0.408 56.731 56.287 0.060 0.000 0.970 53 K CB 0.676 33.202 32.500 0.043 0.000 0.934 53 K HN 0.831 nan 8.250 nan 0.000 0.479 54 A N 2.875 125.729 122.820 0.057 0.000 1.940 54 A HA -0.179 4.141 4.320 0.000 0.000 0.221 54 A C 1.588 179.194 177.584 0.036 0.000 1.190 54 A CA 2.339 54.406 52.037 0.051 0.000 0.647 54 A CB -0.588 18.442 19.000 0.049 0.000 0.821 54 A HN 0.757 nan 8.150 nan 0.000 0.457 55 G N -1.238 107.580 108.800 0.030 0.000 3.702 55 G HA2 0.453 4.413 3.960 0.000 0.000 0.288 55 G HA3 0.453 4.413 3.960 0.000 0.000 0.288 55 G C 0.033 174.944 174.900 0.019 0.000 1.193 55 G CA 0.486 45.599 45.100 0.022 0.000 0.952 55 G HN 0.591 nan 8.290 nan 0.000 0.544 56 E N 0.000 120.212 120.200 0.021 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 0.016 0.000 0.000 56 E CB 0.000 29.711 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000