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 1k9m_1_2 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 0.000 174.700 174.700 0.000 0.000 1.109 1 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.533 109.333 108.800 0.001 0.000 2.398 2 G HA2 0.468 4.428 3.960 0.000 0.000 0.246 2 G HA3 0.468 4.428 3.960 0.000 0.000 0.246 2 G C 1.019 175.920 174.900 0.001 0.000 1.289 2 G CA 0.001 45.101 45.100 0.001 0.000 0.869 2 G HN 1.026 nan 8.290 nan 0.000 0.543 3 A N 2.150 124.970 122.820 0.001 0.000 2.169 3 A HA 0.363 4.683 4.320 0.000 0.000 0.212 3 A C 1.855 179.440 177.584 0.002 0.000 1.153 3 A CA 1.362 53.400 52.037 0.001 0.000 0.756 3 A CB -0.281 18.720 19.000 0.001 0.000 0.813 3 A HN 0.897 nan 8.150 nan 0.000 0.471 4 G N -0.879 107.922 108.800 0.002 0.000 3.152 4 G HA2 0.231 4.191 3.960 0.000 0.000 0.157 4 G HA3 0.231 4.191 3.960 0.000 0.000 0.157 4 G C 1.216 176.117 174.900 0.002 0.000 1.786 4 G CA 0.908 46.010 45.100 0.002 0.000 1.055 4 G HN 0.212 nan 8.290 nan 0.000 0.528 5 T N 2.806 117.361 114.554 0.002 0.000 2.565 5 T HA -0.156 4.194 4.350 0.000 0.000 0.265 5 T C 0.161 174.862 174.700 0.002 0.000 1.082 5 T CA 2.317 64.418 62.100 0.002 0.000 1.173 5 T CB -1.326 67.543 68.868 0.002 0.000 0.864 5 T HN 0.419 nan 8.240 nan 0.000 0.425 6 P HA -0.033 nan 4.420 nan 0.000 0.218 6 P C 1.257 178.558 177.300 0.002 0.000 1.146 6 P CA 1.193 64.294 63.100 0.002 0.000 0.813 6 P CB -0.149 31.551 31.700 0.001 0.000 0.778 7 S N -0.590 115.111 115.700 0.002 0.000 2.562 7 S HA 0.006 4.476 4.470 0.000 0.000 0.221 7 S C 1.744 176.346 174.600 0.004 0.000 0.975 7 S CA 0.396 58.597 58.200 0.003 0.000 0.918 7 S CB -0.341 62.860 63.200 0.003 0.000 0.772 7 S HN 0.175 nan 8.310 nan 0.000 0.531 8 Q N 0.662 120.464 119.800 0.004 0.000 2.389 8 Q HA 0.140 4.480 4.340 0.000 0.000 0.204 8 Q C 2.188 178.190 176.000 0.004 0.000 0.944 8 Q CA 0.722 56.528 55.803 0.004 0.000 0.908 8 Q CB -0.870 27.870 28.738 0.004 0.000 1.002 8 Q HN 0.566 nan 8.270 nan 0.000 0.493 9 G N 1.345 110.147 108.800 0.003 0.000 2.432 9 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 9 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 9 G C 1.313 176.214 174.900 0.002 0.000 1.135 9 G CA 0.340 45.441 45.100 0.002 0.000 0.767 9 G HN 0.301 nan 8.290 nan 0.000 0.550 10 K N 0.365 120.767 120.400 0.002 0.000 2.525 10 K HA 0.063 4.383 4.320 0.000 0.000 0.192 10 K C 0.348 176.948 176.600 0.001 0.000 1.029 10 K CA 0.160 56.447 56.287 0.001 0.000 1.029 10 K CB 0.197 32.698 32.500 0.001 0.000 0.814 10 K HN 0.200 nan 8.250 nan 0.000 0.503 11 K N 2.767 123.168 120.400 0.002 0.000 2.111 11 K HA 0.035 4.355 4.320 0.000 0.000 0.249 11 K C 0.085 176.685 176.600 0.000 0.000 1.157 11 K CA -0.109 56.179 56.287 0.002 0.000 1.048 11 K CB -0.065 32.438 32.500 0.005 0.000 1.498 11 K HN 0.148 nan 8.250 nan 0.000 0.344 12 N N 0.085 118.783 118.700 -0.002 0.000 2.377 12 N HA 0.005 4.745 4.740 0.000 0.000 0.259 12 N C -0.819 174.686 175.510 -0.009 0.000 1.332 12 N CA -0.459 52.589 53.050 -0.003 0.000 0.877 12 N CB 0.714 39.200 38.487 -0.002 0.000 1.299 12 N HN -0.067 nan 8.380 nan 0.000 0.501 13 T N 0.523 115.069 114.554 -0.014 0.000 2.795 13 T HA 0.339 4.689 4.350 0.000 0.000 0.282 13 T C -0.322 174.354 174.700 -0.040 0.000 0.980 13 T CA 0.025 62.109 62.100 -0.026 0.000 1.012 13 T CB 1.392 70.242 68.868 -0.029 0.000 0.936 13 T HN 0.045 nan 8.240 nan 0.000 0.457 14 T N 3.111 117.636 114.554 -0.049 0.000 2.743 14 T HA 0.408 4.758 4.350 0.000 0.000 0.293 14 T C 1.246 175.863 174.700 -0.138 0.000 0.945 14 T CA -0.511 61.551 62.100 -0.063 0.000 1.030 14 T CB 0.842 69.688 68.868 -0.036 0.000 0.912 14 T HN 0.851 nan 8.240 nan 0.000 0.483 15 T N -0.150 114.281 114.554 -0.205 0.000 3.463 15 T HA 0.170 4.520 4.350 0.000 0.000 0.203 15 T C 0.434 174.843 174.700 -0.485 0.000 0.955 15 T CA -0.313 61.485 62.100 -0.503 0.000 1.230 15 T CB -0.156 68.293 68.868 -0.697 0.000 1.392 15 T HN 0.544 nan 8.240 nan 0.000 0.361 16 H N 3.541 122.474 119.070 -0.228 0.000 2.899 16 H HA 0.468 5.024 4.556 0.000 0.000 0.303 16 H C 0.277 175.607 175.328 0.003 0.000 1.042 16 H CA 0.609 56.611 56.048 -0.077 0.000 1.479 16 H CB 0.387 30.141 29.762 -0.013 0.000 1.493 16 H HN 0.684 nan 8.280 nan 0.000 0.534 17 T N -0.035 114.627 114.554 0.180 0.000 2.907 17 T HA 0.303 4.653 4.350 0.000 0.000 0.290 17 T C 0.096 174.924 174.700 0.215 0.000 1.066 17 T CA -1.367 60.838 62.100 0.175 0.000 1.012 17 T CB 2.204 71.174 68.868 0.171 0.000 1.184 17 T HN 0.313 nan 8.240 nan 0.000 0.522 18 K N 0.651 121.134 120.400 0.138 0.000 2.466 18 K HA 0.156 4.476 4.320 0.000 0.000 0.278 18 K C 0.022 176.673 176.600 0.085 0.000 1.048 18 K CA -0.313 56.029 56.287 0.091 0.000 1.088 18 K CB -0.532 31.994 32.500 0.044 0.000 0.884 18 K HN 0.783 nan 8.250 nan 0.000 0.478 19 C N 6.229 125.566 119.300 0.061 0.000 2.499 19 C HA 0.256 4.716 4.460 0.000 0.000 0.386 19 C C 1.843 176.702 174.990 -0.218 0.000 1.293 19 C CA -0.563 58.423 59.018 -0.054 0.000 1.884 19 C CB -0.078 27.684 27.740 0.037 0.000 2.509 19 C HN 1.133 nan 8.230 nan 0.000 0.566 20 R N 2.867 123.128 120.500 -0.399 0.000 2.103 20 R HA -0.134 4.206 4.340 0.000 0.000 0.242 20 R C 2.470 178.471 176.300 -0.497 0.000 1.142 20 R CA 1.963 57.810 56.100 -0.421 0.000 0.960 20 R CB -0.260 29.740 30.300 -0.499 0.000 0.858 20 R HN 0.876 nan 8.270 nan 0.000 0.439 21 R N -0.023 120.027 120.500 -0.749 0.000 2.055 21 R HA -0.099 4.241 4.340 0.000 0.000 0.226 21 R C 2.301 178.436 176.300 -0.275 0.000 1.135 21 R CA 1.767 57.505 56.100 -0.604 0.000 0.959 21 R CB -0.205 29.614 30.300 -0.801 0.000 0.854 21 R HN 0.500 nan 8.270 nan 0.000 0.431 22 C N -1.837 117.357 119.300 -0.177 0.000 3.070 22 C HA 0.511 4.971 4.460 0.000 0.000 0.280 22 C C 1.448 176.402 174.990 -0.061 0.000 1.264 22 C CA 0.139 59.107 59.018 -0.084 0.000 1.690 22 C CB 0.101 27.825 27.740 -0.026 0.000 2.049 22 C HN 0.712 nan 8.230 nan 0.000 0.636 23 G N 0.781 109.539 108.800 -0.070 0.000 2.179 23 G HA2 -0.170 3.790 3.960 0.000 0.000 0.260 23 G HA3 -0.170 3.790 3.960 0.000 0.000 0.260 23 G C -0.263 174.633 174.900 -0.007 0.000 0.977 23 G CA 0.537 45.611 45.100 -0.043 0.000 0.641 23 G HN 0.629 nan 8.290 nan 0.000 0.533 24 E N 0.204 120.412 120.200 0.014 0.000 2.313 24 E HA 0.298 4.648 4.350 0.000 0.000 0.272 24 E C 0.521 177.163 176.600 0.069 0.000 1.038 24 E CA -0.675 55.747 56.400 0.037 0.000 0.863 24 E CB 1.100 30.828 29.700 0.046 0.000 1.060 24 E HN 0.355 nan 8.360 nan 0.000 0.402 25 K N 1.568 122.007 120.400 0.066 0.000 2.480 25 K HA 0.117 4.437 4.320 0.000 0.000 0.241 25 K C -0.342 176.332 176.600 0.124 0.000 1.261 25 K CA 0.183 56.527 56.287 0.094 0.000 1.193 25 K CB -0.278 32.261 32.500 0.065 0.000 1.598 25 K HN 0.173 nan 8.250 nan 0.000 0.278 26 S N 1.247 117.061 115.700 0.190 0.000 2.787 26 S HA 0.008 4.478 4.470 0.000 0.000 0.255 26 S C -0.769 174.093 174.600 0.438 0.000 1.051 26 S CA -0.496 57.853 58.200 0.249 0.000 1.124 26 S CB -0.024 63.273 63.200 0.161 0.000 1.104 26 S HN 0.513 nan 8.310 nan 0.000 0.623 27 Y N 3.783 124.223 120.300 0.234 0.000 2.584 27 Y HA 0.259 4.810 4.550 0.000 0.000 0.351 27 Y C 0.372 176.388 175.900 0.193 0.000 1.030 27 Y CA -1.102 57.133 58.100 0.225 0.000 1.332 27 Y CB -0.479 38.092 38.460 0.185 0.000 1.148 27 Y HN 0.252 nan 8.280 nan 0.000 0.528 28 H N 4.319 123.251 119.070 -0.230 0.000 3.232 28 H HA 0.039 4.595 4.556 0.000 0.000 0.254 28 H C 1.547 176.557 175.328 -0.531 0.000 1.213 28 H CA 0.646 56.435 56.048 -0.432 0.000 1.503 28 H CB 0.668 30.185 29.762 -0.408 0.000 1.563 28 H HN 0.878 nan 8.280 nan 0.000 0.490 29 T N 3.252 117.608 114.554 -0.331 0.000 2.897 29 T HA -0.136 4.214 4.350 0.000 0.000 0.271 29 T C 1.852 176.483 174.700 -0.114 0.000 1.084 29 T CA 1.351 63.313 62.100 -0.230 0.000 1.123 29 T CB -0.070 68.746 68.868 -0.088 0.000 0.865 29 T HN 0.519 nan 8.240 nan 0.000 0.496 30 K N 0.657 121.063 120.400 0.010 0.000 2.098 30 K HA 0.111 4.431 4.320 0.000 0.000 0.203 30 K C 2.209 178.828 176.600 0.032 0.000 1.051 30 K CA 0.933 57.263 56.287 0.071 0.000 0.957 30 K CB -0.065 32.527 32.500 0.153 0.000 0.738 30 K HN 0.397 nan 8.250 nan 0.000 0.447 31 K N 0.660 121.079 120.400 0.031 0.000 2.323 31 K HA 0.062 4.382 4.320 0.000 0.000 0.197 31 K C -0.119 176.368 176.600 -0.188 0.000 1.043 31 K CA -0.048 56.128 56.287 -0.186 0.000 0.997 31 K CB 0.335 32.576 32.500 -0.433 0.000 0.807 31 K HN -0.120 nan 8.250 nan 0.000 0.497 32 K N 0.526 120.750 120.400 -0.294 0.000 3.150 32 K HA -0.137 4.183 4.320 0.000 0.000 0.267 32 K C -1.079 175.378 176.600 -0.237 0.000 1.028 32 K CA 0.420 56.464 56.287 -0.404 0.000 0.753 32 K CB -2.256 30.183 32.500 -0.101 0.000 1.288 32 K HN 0.053 nan 8.250 nan 0.000 0.473 33 V N 0.118 119.871 119.914 -0.268 0.000 2.733 33 V HA 0.202 4.322 4.120 0.000 0.000 0.306 33 V C -0.030 176.147 176.094 0.137 0.000 1.084 33 V CA -1.179 61.118 62.300 -0.006 0.000 0.905 33 V CB 2.439 34.234 31.823 -0.047 0.000 1.010 33 V HN 0.470 nan 8.190 nan 0.000 0.424 34 C N 4.126 123.626 119.300 0.334 0.000 2.415 34 C HA 0.409 4.869 4.460 0.000 0.000 0.369 34 C C 1.949 177.093 174.990 0.256 0.000 1.279 34 C CA 0.356 59.600 59.018 0.376 0.000 1.886 34 C CB 0.423 28.423 27.740 0.435 0.000 2.468 34 C HN 1.113 nan 8.230 nan 0.000 0.553 35 S N 3.335 119.191 115.700 0.260 0.000 2.522 35 S HA -0.074 4.396 4.470 0.000 0.000 0.227 35 S C 1.568 176.273 174.600 0.176 0.000 0.986 35 S CA 1.281 59.607 58.200 0.210 0.000 0.929 35 S CB -0.070 63.262 63.200 0.220 0.000 0.769 35 S HN 0.829 nan 8.310 nan 0.000 0.529 36 S N 0.468 116.268 115.700 0.167 0.000 2.444 36 S HA 0.030 4.500 4.470 0.000 0.000 0.223 36 S C 1.962 176.630 174.600 0.113 0.000 1.054 36 S CA 0.626 58.902 58.200 0.126 0.000 0.947 36 S CB -0.433 62.826 63.200 0.099 0.000 0.850 36 S HN 0.872 nan 8.310 nan 0.000 0.527 37 C N -0.028 119.350 119.300 0.129 0.000 2.865 37 C HA 0.680 5.140 4.460 0.000 0.000 0.280 37 C C 1.913 176.981 174.990 0.130 0.000 1.255 37 C CA 0.403 59.483 59.018 0.105 0.000 1.705 37 C CB -0.421 27.375 27.740 0.094 0.000 2.080 37 C HN 0.790 nan 8.230 nan 0.000 0.591 38 G N 0.223 109.128 108.800 0.175 0.000 2.176 38 G HA2 -0.261 3.699 3.960 0.000 0.000 0.253 38 G HA3 -0.261 3.699 3.960 0.000 0.000 0.253 38 G C -0.116 174.894 174.900 0.184 0.000 0.979 38 G CA 0.179 45.372 45.100 0.155 0.000 0.641 38 G HN 0.791 nan 8.290 nan 0.000 0.530 39 F N 1.861 121.869 119.950 0.098 0.000 2.604 39 F HA 0.366 4.893 4.527 0.000 0.000 0.393 39 F C 1.556 177.455 175.800 0.166 0.000 1.043 39 F CA 1.748 59.806 58.000 0.096 0.000 1.227 39 F CB 0.388 39.423 39.000 0.059 0.000 1.016 39 F HN 1.235 nan 8.300 nan 0.000 0.556 40 G N 4.471 112.952 108.800 -0.533 0.000 2.213 40 G HA2 -0.322 3.638 3.960 0.000 0.000 0.226 40 G HA3 -0.322 3.638 3.960 0.000 0.000 0.226 40 G C 0.993 175.800 174.900 -0.154 0.000 0.992 40 G CA 0.420 45.286 45.100 -0.389 0.000 0.632 40 G HN 0.805 nan 8.290 nan 0.000 0.511 41 K N -0.366 119.992 120.400 -0.071 0.000 2.443 41 K HA 0.450 4.770 4.320 0.000 0.000 0.200 41 K C 0.615 177.211 176.600 -0.007 0.000 1.278 41 K CA 0.973 57.246 56.287 -0.024 0.000 0.925 41 K CB 0.612 33.121 32.500 0.015 0.000 1.225 41 K HN 0.436 nan 8.250 nan 0.000 0.514 42 S N -0.570 115.137 115.700 0.011 0.000 2.538 42 S HA 0.581 5.051 4.470 0.000 0.000 0.288 42 S C 0.287 174.909 174.600 0.035 0.000 1.108 42 S CA -0.285 57.927 58.200 0.020 0.000 0.971 42 S CB 1.819 65.033 63.200 0.023 0.000 1.041 42 S HN 0.312 nan 8.310 nan 0.000 0.483 43 A N 4.786 127.621 122.820 0.026 0.000 1.898 43 A HA 0.158 4.478 4.320 0.000 0.000 0.216 43 A C 0.885 178.493 177.584 0.039 0.000 1.181 43 A CA 0.993 53.054 52.037 0.040 0.000 0.620 43 A CB -0.373 18.641 19.000 0.023 0.000 0.819 43 A HN 0.772 nan 8.150 nan 0.000 0.442 44 K N 0.699 121.108 120.400 0.015 0.000 2.237 44 K HA 0.248 4.568 4.320 0.000 0.000 0.270 44 K C -0.247 176.349 176.600 -0.006 0.000 1.015 44 K CA -0.582 55.703 56.287 -0.005 0.000 0.949 44 K CB 0.516 33.000 32.500 -0.026 0.000 0.976 44 K HN 0.168 nan 8.250 nan 0.000 0.472 45 R N 2.444 122.931 120.500 -0.021 0.000 2.442 45 R HA 0.030 4.370 4.340 0.000 0.000 0.291 45 R C 0.275 176.527 176.300 -0.080 0.000 1.069 45 R CA -0.051 56.033 56.100 -0.027 0.000 1.022 45 R CB 0.414 30.693 30.300 -0.035 0.000 0.976 45 R HN 0.597 nan 8.270 nan 0.000 0.443 46 R N 2.020 122.486 120.500 -0.058 0.000 2.502 46 R HA -0.072 4.268 4.340 0.000 0.000 0.292 46 R C -0.819 175.337 176.300 -0.240 0.000 0.998 46 R CA 0.733 56.756 56.100 -0.129 0.000 1.056 46 R CB 0.235 30.542 30.300 0.011 0.000 0.939 46 R HN 0.651 nan 8.270 nan 0.000 0.411 47 D N 2.765 122.848 120.400 -0.528 0.000 2.769 47 D HA 0.286 4.926 4.640 0.000 0.000 0.219 47 D C -1.964 173.771 176.300 -0.942 0.000 1.245 47 D CA -0.384 53.302 54.000 -0.522 0.000 0.801 47 D CB 0.735 41.353 40.800 -0.304 0.000 1.598 47 D HN 0.418 nan 8.370 nan 0.000 0.485 48 Y N 0.787 120.809 120.300 -0.463 0.000 2.562 48 Y HA 0.302 4.852 4.550 0.000 0.000 0.345 48 Y C 0.927 176.483 175.900 -0.573 0.000 1.045 48 Y CA -0.831 56.871 58.100 -0.662 0.000 1.028 48 Y CB 2.126 39.694 38.460 -1.486 0.000 1.297 48 Y HN 0.279 nan 8.280 nan 0.000 0.463 49 E N 1.633 121.708 120.200 -0.208 0.000 2.347 49 E HA -0.114 4.236 4.350 0.000 0.000 0.196 49 E C 1.379 177.986 176.600 0.012 0.000 1.008 49 E CA 0.847 57.202 56.400 -0.075 0.000 0.852 49 E CB -0.006 29.705 29.700 0.019 0.000 0.783 49 E HN 0.838 nan 8.360 nan 0.000 0.505 50 W N 0.702 122.068 121.300 0.110 0.000 3.180 50 W HA 0.104 4.764 4.660 0.000 0.000 0.254 50 W C 0.781 177.336 176.519 0.061 0.000 1.318 50 W CA -0.151 57.233 57.345 0.064 0.000 1.608 50 W CB -0.429 29.051 29.460 0.033 0.000 1.124 50 W HN 0.021 nan 8.180 nan 0.000 0.694 51 Q N 1.708 121.496 119.800 -0.020 0.000 2.472 51 Q HA -0.027 4.313 4.340 0.000 0.000 0.208 51 Q C 0.950 176.996 176.000 0.077 0.000 0.958 51 Q CA 0.972 56.789 55.803 0.023 0.000 0.932 51 Q CB 0.177 28.812 28.738 -0.172 0.000 1.007 51 Q HN 0.226 nan 8.270 nan 0.000 0.508 52 S N -1.108 114.637 115.700 0.075 0.000 2.697 52 S HA 0.469 4.939 4.470 0.000 0.000 0.289 52 S C -0.741 173.907 174.600 0.080 0.000 1.149 52 S CA -1.210 57.027 58.200 0.061 0.000 0.850 52 S CB 1.771 64.985 63.200 0.024 0.000 1.151 52 S HN -0.202 nan 8.310 nan 0.000 0.491 53 K N 0.801 121.237 120.400 0.060 0.000 2.382 53 K HA 0.394 4.715 4.320 0.000 0.000 0.275 53 K C 1.606 178.238 176.600 0.053 0.000 1.009 53 K CA 0.374 56.696 56.287 0.058 0.000 0.970 53 K CB 0.678 33.203 32.500 0.042 0.000 0.934 53 K HN 0.807 nan 8.250 nan 0.000 0.479 54 A N 3.126 125.981 122.820 0.058 0.000 1.929 54 A HA -0.198 4.122 4.320 0.000 0.000 0.221 54 A C 1.526 179.132 177.584 0.037 0.000 1.211 54 A CA 2.396 54.464 52.037 0.053 0.000 0.657 54 A CB -0.720 18.310 19.000 0.049 0.000 0.827 54 A HN 0.746 nan 8.150 nan 0.000 0.462 55 G N -0.954 107.864 108.800 0.030 0.000 3.782 55 G HA2 0.459 4.419 3.960 0.000 0.000 0.288 55 G HA3 0.459 4.419 3.960 0.000 0.000 0.288 55 G C -0.054 174.857 174.900 0.018 0.000 1.300 55 G CA 0.566 45.679 45.100 0.022 0.000 1.261 55 G HN 0.672 nan 8.290 nan 0.000 0.591 56 E N 0.000 120.211 120.200 0.019 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.408 56.400 0.014 0.000 0.000 56 E CB 0.000 29.710 29.700 0.016 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000