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 3cme_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 0.000 174.700 174.700 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 68.868 68.868 0.001 0.000 0.612 2 G N 0.821 109.621 108.800 0.001 0.000 2.527 2 G HA2 0.510 4.470 3.960 0.000 0.000 0.248 2 G HA3 0.510 4.470 3.960 0.000 0.000 0.248 2 G C 0.986 175.887 174.900 0.001 0.000 1.231 2 G CA -0.144 44.956 45.100 0.001 0.000 0.838 2 G HN 0.994 nan 8.290 nan 0.000 0.570 3 A N 1.108 123.929 122.820 0.001 0.000 2.218 3 A HA 0.406 4.726 4.320 0.000 0.000 0.209 3 A C 1.756 179.341 177.584 0.002 0.000 1.168 3 A CA 1.279 53.316 52.037 0.001 0.000 0.804 3 A CB -0.292 18.709 19.000 0.001 0.000 0.834 3 A HN 0.906 nan 8.150 nan 0.000 0.482 4 G N -0.860 107.941 108.800 0.001 0.000 3.311 4 G HA2 0.229 4.189 3.960 0.000 0.000 0.169 4 G HA3 0.229 4.189 3.960 0.000 0.000 0.169 4 G C 1.209 176.110 174.900 0.002 0.000 1.852 4 G CA 0.907 46.008 45.100 0.001 0.000 1.010 4 G HN 0.205 nan 8.290 nan 0.000 0.530 5 T N 2.667 117.222 114.554 0.002 0.000 2.653 5 T HA -0.121 4.229 4.350 0.000 0.000 0.268 5 T C 0.049 174.750 174.700 0.002 0.000 1.035 5 T CA 2.020 64.121 62.100 0.002 0.000 1.154 5 T CB -1.134 67.735 68.868 0.002 0.000 0.862 5 T HN 0.364 nan 8.240 nan 0.000 0.441 6 P HA 0.042 nan 4.420 nan 0.000 0.218 6 P C 1.249 178.550 177.300 0.002 0.000 1.149 6 P CA 1.020 64.121 63.100 0.002 0.000 0.817 6 P CB -0.079 31.622 31.700 0.001 0.000 0.785 7 S N -0.481 115.220 115.700 0.002 0.000 2.593 7 S HA 0.025 4.495 4.470 0.000 0.000 0.217 7 S C 1.716 176.318 174.600 0.003 0.000 0.966 7 S CA 0.319 58.520 58.200 0.003 0.000 0.914 7 S CB -0.293 62.909 63.200 0.003 0.000 0.776 7 S HN 0.173 nan 8.310 nan 0.000 0.523 8 Q N 0.487 120.289 119.800 0.003 0.000 2.302 8 Q HA 0.159 4.499 4.340 0.000 0.000 0.202 8 Q C 2.234 178.236 176.000 0.003 0.000 0.936 8 Q CA 0.836 56.642 55.803 0.004 0.000 0.886 8 Q CB -0.917 27.823 28.738 0.004 0.000 0.986 8 Q HN 0.541 nan 8.270 nan 0.000 0.487 9 G N 1.372 110.173 108.800 0.003 0.000 2.470 9 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 9 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 9 G C 1.421 176.322 174.900 0.003 0.000 1.121 9 G CA 0.394 45.496 45.100 0.003 0.000 0.766 9 G HN 0.285 nan 8.290 nan 0.000 0.553 10 K N 0.124 120.526 120.400 0.003 0.000 2.432 10 K HA 0.053 4.373 4.320 0.000 0.000 0.196 10 K C 0.456 177.058 176.600 0.003 0.000 1.038 10 K CA 0.237 56.526 56.287 0.003 0.000 0.986 10 K CB 0.146 32.648 32.500 0.003 0.000 0.782 10 K HN 0.184 nan 8.250 nan 0.000 0.485 11 K N 2.654 123.056 120.400 0.003 0.000 2.262 11 K HA 0.033 4.353 4.320 0.000 0.000 0.288 11 K C 0.173 176.774 176.600 0.002 0.000 1.090 11 K CA -0.028 56.261 56.287 0.003 0.000 0.918 11 K CB 0.208 32.710 32.500 0.004 0.000 1.139 11 K HN 0.168 nan 8.250 nan 0.000 0.462 12 N N 0.748 119.448 118.700 0.000 0.000 2.110 12 N HA -0.022 4.718 4.740 0.000 0.000 0.230 12 N C -0.545 174.963 175.510 -0.003 0.000 1.353 12 N CA -0.354 52.696 53.050 -0.000 0.000 0.807 12 N CB 0.496 38.984 38.487 0.002 0.000 1.244 12 N HN 0.083 nan 8.380 nan 0.000 0.504 13 T N 0.829 115.379 114.554 -0.007 0.000 2.868 13 T HA 0.344 4.694 4.350 0.000 0.000 0.292 13 T C -0.238 174.446 174.700 -0.026 0.000 1.028 13 T CA 0.515 62.607 62.100 -0.013 0.000 1.059 13 T CB 1.188 70.048 68.868 -0.014 0.000 0.991 13 T HN 0.050 nan 8.240 nan 0.000 0.531 14 T N 1.630 116.164 114.554 -0.034 0.000 2.786 14 T HA 0.473 4.823 4.350 0.000 0.000 0.283 14 T C 1.128 175.757 174.700 -0.119 0.000 0.992 14 T CA -0.678 61.391 62.100 -0.052 0.000 0.954 14 T CB 1.288 70.144 68.868 -0.020 0.000 0.934 14 T HN 0.844 nan 8.240 nan 0.000 0.440 15 T N -0.696 113.717 114.554 -0.234 0.000 3.330 15 T HA 0.180 4.531 4.350 0.000 0.000 0.240 15 T C 0.394 174.716 174.700 -0.631 0.000 0.988 15 T CA -0.128 61.619 62.100 -0.588 0.000 1.253 15 T CB -0.075 68.199 68.868 -0.990 0.000 1.163 15 T HN 0.531 nan 8.240 nan 0.000 0.382 16 H N 3.159 122.076 119.070 -0.255 0.000 2.620 16 H HA 0.582 5.138 4.556 0.000 0.000 0.313 16 H C 0.164 175.495 175.328 0.004 0.000 1.075 16 H CA 0.378 56.367 56.048 -0.098 0.000 1.397 16 H CB 1.009 30.732 29.762 -0.064 0.000 1.446 16 H HN 0.670 nan 8.280 nan 0.000 0.493 17 T N -0.371 114.299 114.554 0.193 0.000 2.887 17 T HA 0.325 4.675 4.350 0.000 0.000 0.292 17 T C 0.042 174.858 174.700 0.192 0.000 1.087 17 T CA -1.326 60.877 62.100 0.172 0.000 1.009 17 T CB 2.273 71.244 68.868 0.172 0.000 1.203 17 T HN 0.366 nan 8.240 nan 0.000 0.518 18 K N 0.167 120.634 120.400 0.111 0.000 2.511 18 K HA 0.175 4.495 4.320 0.000 0.000 0.280 18 K C -0.207 176.420 176.600 0.045 0.000 1.008 18 K CA -0.326 56.000 56.287 0.065 0.000 1.050 18 K CB -0.129 32.382 32.500 0.019 0.000 0.889 18 K HN 0.768 nan 8.250 nan 0.000 0.484 19 C N 6.520 125.831 119.300 0.018 0.000 2.325 19 C HA 0.293 4.753 4.460 0.000 0.000 0.347 19 C C 1.822 176.654 174.990 -0.263 0.000 1.263 19 C CA -0.665 58.297 59.018 -0.093 0.000 1.806 19 C CB -0.107 27.657 27.740 0.040 0.000 2.405 19 C HN 1.139 nan 8.230 nan 0.000 0.537 20 R N 3.060 123.303 120.500 -0.427 0.000 2.174 20 R HA -0.186 4.154 4.340 0.000 0.000 0.253 20 R C 2.304 178.295 176.300 -0.515 0.000 1.165 20 R CA 2.085 57.920 56.100 -0.442 0.000 0.984 20 R CB -0.257 29.746 30.300 -0.496 0.000 0.873 20 R HN 0.865 nan 8.270 nan 0.000 0.456 21 R N -0.199 119.857 120.500 -0.740 0.000 2.075 21 R HA -0.077 4.263 4.340 0.000 0.000 0.220 21 R C 2.358 178.499 176.300 -0.265 0.000 1.118 21 R CA 1.619 57.364 56.100 -0.592 0.000 0.986 21 R CB -0.078 29.749 30.300 -0.788 0.000 0.884 21 R HN 0.508 nan 8.270 nan 0.000 0.439 22 C N -2.862 116.332 119.300 -0.177 0.000 2.935 22 C HA 0.543 5.003 4.460 0.000 0.000 0.308 22 C C 1.535 176.488 174.990 -0.063 0.000 1.263 22 C CA 0.237 59.205 59.018 -0.083 0.000 1.738 22 C CB 0.434 28.158 27.740 -0.026 0.000 2.237 22 C HN 0.659 nan 8.230 nan 0.000 0.600 23 G N 0.575 109.333 108.800 -0.069 0.000 2.194 23 G HA2 -0.149 3.811 3.960 0.000 0.000 0.236 23 G HA3 -0.149 3.811 3.960 0.000 0.000 0.236 23 G C -0.315 174.578 174.900 -0.011 0.000 0.987 23 G CA 0.285 45.358 45.100 -0.044 0.000 0.635 23 G HN 0.589 nan 8.290 nan 0.000 0.520 24 E N 0.599 120.803 120.200 0.007 0.000 2.283 24 E HA 0.259 4.609 4.350 0.000 0.000 0.278 24 E C 0.562 177.198 176.600 0.060 0.000 1.027 24 E CA -0.558 55.859 56.400 0.029 0.000 0.843 24 E CB 1.311 31.032 29.700 0.035 0.000 1.062 24 E HN 0.412 nan 8.360 nan 0.000 0.401 25 K N 1.923 122.357 120.400 0.057 0.000 2.686 25 K HA 0.056 4.376 4.320 0.000 0.000 0.244 25 K C -0.241 176.429 176.600 0.116 0.000 1.262 25 K CA 0.213 56.553 56.287 0.089 0.000 1.199 25 K CB -0.272 32.267 32.500 0.064 0.000 1.428 25 K HN 0.142 nan 8.250 nan 0.000 0.247 26 S N 1.250 117.049 115.700 0.165 0.000 2.819 26 S HA 0.026 4.496 4.470 0.000 0.000 0.249 26 S C -0.934 173.893 174.600 0.379 0.000 1.030 26 S CA -0.514 57.799 58.200 0.187 0.000 1.052 26 S CB 0.013 63.280 63.200 0.111 0.000 1.017 26 S HN 0.517 nan 8.310 nan 0.000 0.576 27 Y N 3.361 123.799 120.300 0.229 0.000 2.504 27 Y HA 0.300 4.850 4.550 0.000 0.000 0.351 27 Y C 0.347 176.375 175.900 0.214 0.000 0.988 27 Y CA -1.060 57.180 58.100 0.233 0.000 1.239 27 Y CB -0.251 38.318 38.460 0.181 0.000 1.128 27 Y HN 0.260 nan 8.280 nan 0.000 0.525 28 H N 4.399 123.320 119.070 -0.248 0.000 3.232 28 H HA 0.020 4.576 4.556 0.000 0.000 0.254 28 H C 1.478 176.514 175.328 -0.487 0.000 1.213 28 H CA 0.376 56.176 56.048 -0.413 0.000 1.503 28 H CB 0.728 30.263 29.762 -0.378 0.000 1.563 28 H HN 0.884 nan 8.280 nan 0.000 0.490 29 T N 3.228 117.717 114.554 -0.109 0.000 2.969 29 T HA -0.133 4.217 4.350 0.000 0.000 0.271 29 T C 1.583 176.295 174.700 0.021 0.000 1.127 29 T CA 1.494 63.586 62.100 -0.013 0.000 1.102 29 T CB -0.011 68.904 68.868 0.078 0.000 0.855 29 T HN 0.639 nan 8.240 nan 0.000 0.536 30 K N -0.328 120.161 120.400 0.147 0.000 2.276 30 K HA 0.155 4.475 4.320 0.000 0.000 0.198 30 K C 2.134 178.642 176.600 -0.153 0.000 1.052 30 K CA 0.476 56.783 56.287 0.033 0.000 0.984 30 K CB 0.262 32.826 32.500 0.106 0.000 0.836 30 K HN 0.264 nan 8.250 nan 0.000 0.490 31 K N 0.523 120.721 120.400 -0.336 0.000 2.352 31 K HA 0.094 4.415 4.320 0.000 0.000 0.194 31 K C -0.071 176.371 176.600 -0.262 0.000 1.038 31 K CA 0.031 56.106 56.287 -0.354 0.000 1.023 31 K CB 0.490 32.689 32.500 -0.502 0.000 0.840 31 K HN -0.155 nan 8.250 nan 0.000 0.519 32 K N 0.562 120.743 120.400 -0.365 0.000 3.071 32 K HA -0.142 4.178 4.320 0.000 0.000 0.265 32 K C -0.893 175.519 176.600 -0.314 0.000 1.060 32 K CA 0.425 56.451 56.287 -0.436 0.000 0.767 32 K CB -2.310 30.170 32.500 -0.034 0.000 1.241 32 K HN 0.056 nan 8.250 nan 0.000 0.486 33 V N 0.332 120.032 119.914 -0.357 0.000 2.638 33 V HA 0.234 4.354 4.120 0.000 0.000 0.306 33 V C -0.026 176.087 176.094 0.031 0.000 1.052 33 V CA -1.122 61.132 62.300 -0.076 0.000 0.885 33 V CB 2.374 34.161 31.823 -0.060 0.000 0.999 33 V HN 0.436 nan 8.190 nan 0.000 0.424 34 C N 4.486 123.946 119.300 0.267 0.000 2.325 34 C HA 0.367 4.827 4.460 0.000 0.000 0.347 34 C C 1.950 177.085 174.990 0.241 0.000 1.263 34 C CA 0.163 59.387 59.018 0.343 0.000 1.806 34 C CB 0.279 28.311 27.740 0.487 0.000 2.405 34 C HN 1.089 nan 8.230 nan 0.000 0.537 35 S N 3.575 119.412 115.700 0.228 0.000 2.547 35 S HA -0.091 4.379 4.470 0.000 0.000 0.235 35 S C 1.516 176.208 174.600 0.154 0.000 0.980 35 S CA 1.416 59.724 58.200 0.180 0.000 0.941 35 S CB -0.087 63.202 63.200 0.149 0.000 0.763 35 S HN 0.825 nan 8.310 nan 0.000 0.532 36 S N 0.729 116.521 115.700 0.154 0.000 2.432 36 S HA 0.004 4.474 4.470 0.000 0.000 0.203 36 S C 2.069 176.738 174.600 0.115 0.000 0.987 36 S CA 0.614 58.886 58.200 0.119 0.000 0.908 36 S CB -0.654 62.604 63.200 0.096 0.000 0.883 36 S HN 0.885 nan 8.310 nan 0.000 0.577 37 C N 0.959 120.333 119.300 0.123 0.000 2.618 37 C HA 0.617 5.077 4.460 0.000 0.000 0.264 37 C C 1.804 176.871 174.990 0.130 0.000 1.334 37 C CA 0.196 59.275 59.018 0.101 0.000 1.731 37 C CB -0.814 26.983 27.740 0.094 0.000 1.852 37 C HN 0.959 nan 8.230 nan 0.000 0.566 38 G N 0.026 108.932 108.800 0.176 0.000 2.143 38 G HA2 -0.268 3.692 3.960 0.000 0.000 0.249 38 G HA3 -0.268 3.692 3.960 0.000 0.000 0.249 38 G C -0.140 174.874 174.900 0.189 0.000 0.981 38 G CA 0.168 45.365 45.100 0.160 0.000 0.665 38 G HN 0.786 nan 8.290 nan 0.000 0.528 39 F N 1.360 121.378 119.950 0.114 0.000 2.629 39 F HA 0.381 4.908 4.527 0.000 0.000 0.377 39 F C 1.630 177.538 175.800 0.179 0.000 1.101 39 F CA 1.809 59.883 58.000 0.124 0.000 1.301 39 F CB 0.601 39.673 39.000 0.120 0.000 1.062 39 F HN 1.166 nan 8.300 nan 0.000 0.583 40 G N 4.426 112.821 108.800 -0.674 0.000 2.299 40 G HA2 -0.369 3.591 3.960 0.000 0.000 0.237 40 G HA3 -0.369 3.591 3.960 0.000 0.000 0.237 40 G C 1.257 176.047 174.900 -0.184 0.000 1.027 40 G CA 0.498 45.331 45.100 -0.444 0.000 0.619 40 G HN 0.744 nan 8.290 nan 0.000 0.513 41 K N 0.763 121.112 120.400 -0.086 0.000 2.190 41 K HA 0.338 4.658 4.320 0.000 0.000 0.202 41 K C 1.027 177.608 176.600 -0.031 0.000 1.045 41 K CA 1.500 57.767 56.287 -0.034 0.000 0.976 41 K CB 0.173 32.685 32.500 0.020 0.000 0.849 41 K HN 0.863 nan 8.250 nan 0.000 0.468 42 S N -1.777 113.912 115.700 -0.019 0.000 2.541 42 S HA 0.540 5.010 4.470 0.000 0.000 0.271 42 S C 0.439 175.041 174.600 0.003 0.000 1.133 42 S CA -0.451 57.742 58.200 -0.012 0.000 0.876 42 S CB 1.763 64.962 63.200 -0.002 0.000 1.105 42 S HN 0.153 nan 8.310 nan 0.000 0.470 43 A N 2.207 125.028 122.820 0.001 0.000 1.902 43 A HA 0.070 4.390 4.320 0.000 0.000 0.217 43 A C 1.032 178.634 177.584 0.030 0.000 1.181 43 A CA 1.030 53.081 52.037 0.023 0.000 0.623 43 A CB -0.691 18.316 19.000 0.011 0.000 0.818 43 A HN 0.817 nan 8.150 nan 0.000 0.443 44 K N 0.076 120.480 120.400 0.006 0.000 2.180 44 K HA 0.282 4.602 4.320 0.000 0.000 0.251 44 K C -0.225 176.371 176.600 -0.007 0.000 1.014 44 K CA -0.593 55.688 56.287 -0.010 0.000 0.913 44 K CB 0.374 32.853 32.500 -0.035 0.000 1.008 44 K HN 0.150 nan 8.250 nan 0.000 0.490 45 R N 1.981 122.466 120.500 -0.025 0.000 2.357 45 R HA 0.106 4.446 4.340 0.000 0.000 0.296 45 R C 0.127 176.374 176.300 -0.089 0.000 1.052 45 R CA -0.401 55.684 56.100 -0.025 0.000 0.988 45 R CB 0.701 30.985 30.300 -0.027 0.000 1.025 45 R HN 0.580 nan 8.270 nan 0.000 0.469 46 R N 2.369 122.827 120.500 -0.070 0.000 2.446 46 R HA -0.057 4.283 4.340 0.000 0.000 0.314 46 R C -0.696 175.461 176.300 -0.239 0.000 1.003 46 R CA 0.731 56.735 56.100 -0.159 0.000 1.018 46 R CB 0.189 30.494 30.300 0.009 0.000 0.945 46 R HN 0.542 nan 8.270 nan 0.000 0.419 47 D N 5.215 125.325 120.400 -0.483 0.000 2.470 47 D HA 0.101 4.741 4.640 0.000 0.000 0.233 47 D C -1.533 174.391 176.300 -0.628 0.000 1.372 47 D CA -0.386 53.369 54.000 -0.407 0.000 0.994 47 D CB 0.493 41.144 40.800 -0.248 0.000 1.377 47 D HN 0.382 nan 8.370 nan 0.000 0.586 48 Y N 1.003 121.019 120.300 -0.473 0.000 2.534 48 Y HA 0.281 4.831 4.550 0.000 0.000 0.329 48 Y C 1.797 177.348 175.900 -0.582 0.000 1.154 48 Y CA -0.771 56.937 58.100 -0.654 0.000 1.192 48 Y CB 1.245 38.892 38.460 -1.354 0.000 1.275 48 Y HN 0.221 nan 8.280 nan 0.000 0.491 49 E N 1.411 121.468 120.200 -0.237 0.000 2.358 49 E HA -0.099 4.251 4.350 0.000 0.000 0.195 49 E C 1.200 177.786 176.600 -0.023 0.000 1.010 49 E CA 0.567 56.909 56.400 -0.097 0.000 0.856 49 E CB -0.037 29.671 29.700 0.012 0.000 0.795 49 E HN 0.809 nan 8.360 nan 0.000 0.504 50 W N 0.504 121.866 121.300 0.102 0.000 3.438 50 W HA 0.180 4.840 4.660 0.000 0.000 0.322 50 W C 0.512 177.063 176.519 0.053 0.000 1.261 50 W CA -0.248 57.131 57.345 0.057 0.000 1.788 50 W CB -0.432 29.043 29.460 0.026 0.000 1.065 50 W HN -0.005 nan 8.180 nan 0.000 0.715 51 Q N 1.602 121.386 119.800 -0.027 0.000 2.403 51 Q HA 0.017 4.357 4.340 0.000 0.000 0.203 51 Q C 0.812 176.846 176.000 0.058 0.000 0.932 51 Q CA 0.529 56.340 55.803 0.013 0.000 0.945 51 Q CB 0.471 29.126 28.738 -0.139 0.000 1.045 51 Q HN 0.199 nan 8.270 nan 0.000 0.511 52 S N -0.918 114.822 115.700 0.068 0.000 2.627 52 S HA 0.449 4.919 4.470 0.000 0.000 0.283 52 S C -0.747 173.900 174.600 0.078 0.000 1.127 52 S CA -1.131 57.103 58.200 0.057 0.000 0.863 52 S CB 1.937 65.151 63.200 0.023 0.000 1.121 52 S HN -0.189 nan 8.310 nan 0.000 0.479 53 K N 1.278 121.714 120.400 0.060 0.000 2.401 53 K HA 0.371 4.691 4.320 0.000 0.000 0.278 53 K C 1.672 178.304 176.600 0.053 0.000 1.018 53 K CA 0.499 56.821 56.287 0.058 0.000 0.981 53 K CB 0.738 33.263 32.500 0.041 0.000 0.933 53 K HN 0.824 nan 8.250 nan 0.000 0.477 54 A N 3.786 126.641 122.820 0.059 0.000 1.883 54 A HA -0.235 4.085 4.320 0.000 0.000 0.226 54 A C 1.525 179.132 177.584 0.037 0.000 1.512 54 A CA 2.463 54.532 52.037 0.053 0.000 0.738 54 A CB -1.227 17.802 19.000 0.048 0.000 0.848 54 A HN 0.776 nan 8.150 nan 0.000 0.477 55 G N -0.514 108.304 108.800 0.030 0.000 3.471 55 G HA2 0.427 4.387 3.960 0.000 0.000 0.254 55 G HA3 0.427 4.387 3.960 0.000 0.000 0.254 55 G C 0.035 174.946 174.900 0.019 0.000 1.199 55 G CA 0.717 45.830 45.100 0.022 0.000 1.683 55 G HN 0.759 nan 8.290 nan 0.000 0.625 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 29.711 29.700 0.018 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000