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 3ccu_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 68.869 68.868 0.001 0.000 0.612 2 G N 0.700 109.501 108.800 0.001 0.000 2.432 2 G HA2 0.510 4.470 3.960 0.000 0.000 0.257 2 G HA3 0.510 4.470 3.960 0.000 0.000 0.257 2 G C 1.033 175.934 174.900 0.001 0.000 1.238 2 G CA -0.131 44.969 45.100 0.001 0.000 0.838 2 G HN 1.013 nan 8.290 nan 0.000 0.547 3 A N 1.819 124.640 122.820 0.001 0.000 2.168 3 A HA 0.302 4.622 4.320 0.000 0.000 0.215 3 A C 1.864 179.450 177.584 0.002 0.000 1.152 3 A CA 1.454 53.492 52.037 0.002 0.000 0.716 3 A CB -0.377 18.623 19.000 0.001 0.000 0.794 3 A HN 0.895 nan 8.150 nan 0.000 0.465 4 G N -0.976 107.825 108.800 0.002 0.000 3.152 4 G HA2 0.201 4.161 3.960 0.000 0.000 0.157 4 G HA3 0.201 4.161 3.960 0.000 0.000 0.157 4 G C 1.221 176.123 174.900 0.003 0.000 1.786 4 G CA 0.895 45.996 45.100 0.002 0.000 1.055 4 G HN 0.225 nan 8.290 nan 0.000 0.528 5 T N 2.608 117.163 114.554 0.002 0.000 2.653 5 T HA -0.120 4.230 4.350 0.000 0.000 0.268 5 T C 0.031 174.733 174.700 0.003 0.000 1.035 5 T CA 2.001 64.102 62.100 0.003 0.000 1.154 5 T CB -1.095 67.774 68.868 0.002 0.000 0.862 5 T HN 0.365 nan 8.240 nan 0.000 0.441 6 P HA 0.068 nan 4.420 nan 0.000 0.222 6 P C 1.220 178.522 177.300 0.003 0.000 1.147 6 P CA 0.949 64.050 63.100 0.002 0.000 0.790 6 P CB -0.061 31.641 31.700 0.002 0.000 0.780 7 S N -0.417 115.285 115.700 0.003 0.000 2.528 7 S HA 0.006 4.476 4.470 0.000 0.000 0.219 7 S C 1.737 176.340 174.600 0.005 0.000 0.985 7 S CA 0.365 58.568 58.200 0.004 0.000 0.914 7 S CB -0.303 62.899 63.200 0.004 0.000 0.776 7 S HN 0.155 nan 8.310 nan 0.000 0.526 8 Q N 0.813 120.616 119.800 0.005 0.000 2.311 8 Q HA 0.119 4.459 4.340 0.000 0.000 0.203 8 Q C 2.159 178.162 176.000 0.005 0.000 0.954 8 Q CA 0.841 56.647 55.803 0.006 0.000 0.885 8 Q CB -0.949 27.792 28.738 0.005 0.000 0.963 8 Q HN 0.566 nan 8.270 nan 0.000 0.471 9 G N 1.324 110.126 108.800 0.004 0.000 2.448 9 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 9 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 9 G C 1.305 176.207 174.900 0.004 0.000 1.127 9 G CA 0.346 45.448 45.100 0.004 0.000 0.766 9 G HN 0.312 nan 8.290 nan 0.000 0.552 10 K N 0.249 120.652 120.400 0.004 0.000 2.487 10 K HA 0.091 4.411 4.320 0.000 0.000 0.192 10 K C 0.424 177.027 176.600 0.005 0.000 1.027 10 K CA 0.070 56.360 56.287 0.004 0.000 1.054 10 K CB 0.275 32.778 32.500 0.004 0.000 0.824 10 K HN 0.159 nan 8.250 nan 0.000 0.510 11 K N 2.718 123.121 120.400 0.006 0.000 2.155 11 K HA 0.023 4.343 4.320 0.000 0.000 0.240 11 K C 0.083 176.686 176.600 0.005 0.000 1.193 11 K CA -0.069 56.221 56.287 0.006 0.000 1.104 11 K CB -0.099 32.406 32.500 0.009 0.000 1.558 11 K HN 0.169 nan 8.250 nan 0.000 0.313 12 N N -0.268 118.433 118.700 0.002 0.000 2.299 12 N HA -0.005 4.735 4.740 0.000 0.000 0.246 12 N C -0.649 174.859 175.510 -0.003 0.000 1.254 12 N CA -0.441 52.610 53.050 0.001 0.000 0.879 12 N CB 0.624 39.112 38.487 0.001 0.000 1.214 12 N HN -0.073 nan 8.380 nan 0.000 0.510 13 T N 0.460 115.010 114.554 -0.006 0.000 2.882 13 T HA 0.366 4.716 4.350 0.000 0.000 0.287 13 T C -0.273 174.408 174.700 -0.031 0.000 0.992 13 T CA 0.084 62.174 62.100 -0.016 0.000 1.076 13 T CB 1.361 70.220 68.868 -0.015 0.000 0.961 13 T HN 0.050 nan 8.240 nan 0.000 0.490 14 T N 2.565 117.092 114.554 -0.044 0.000 2.767 14 T HA 0.479 4.829 4.350 0.000 0.000 0.284 14 T C 1.185 175.796 174.700 -0.149 0.000 0.973 14 T CA -0.637 61.424 62.100 -0.065 0.000 0.996 14 T CB 1.180 70.025 68.868 -0.039 0.000 0.927 14 T HN 0.859 nan 8.240 nan 0.000 0.456 15 T N -0.584 113.824 114.554 -0.243 0.000 3.429 15 T HA 0.174 4.524 4.350 0.000 0.000 0.212 15 T C 0.410 174.749 174.700 -0.602 0.000 0.980 15 T CA -0.302 61.424 62.100 -0.623 0.000 1.201 15 T CB -0.217 68.108 68.868 -0.905 0.000 1.289 15 T HN 0.552 nan 8.240 nan 0.000 0.346 16 H N 3.541 122.447 119.070 -0.273 0.000 2.899 16 H HA 0.469 5.025 4.556 0.000 0.000 0.303 16 H C 0.367 175.690 175.328 -0.008 0.000 1.042 16 H CA 0.801 56.792 56.048 -0.096 0.000 1.479 16 H CB 0.414 30.159 29.762 -0.029 0.000 1.493 16 H HN 0.713 nan 8.280 nan 0.000 0.534 17 T N -0.135 114.514 114.554 0.157 0.000 2.887 17 T HA 0.311 4.661 4.350 0.000 0.000 0.292 17 T C 0.020 174.839 174.700 0.198 0.000 1.087 17 T CA -1.371 60.826 62.100 0.161 0.000 1.009 17 T CB 2.186 71.150 68.868 0.160 0.000 1.203 17 T HN 0.298 nan 8.240 nan 0.000 0.518 18 K N 0.685 121.163 120.400 0.129 0.000 2.453 18 K HA 0.209 4.529 4.320 0.000 0.000 0.280 18 K C -0.051 176.601 176.600 0.087 0.000 1.045 18 K CA -0.337 56.005 56.287 0.092 0.000 1.059 18 K CB -0.567 31.961 32.500 0.046 0.000 0.901 18 K HN 0.774 nan 8.250 nan 0.000 0.475 19 C N 6.365 125.720 119.300 0.092 0.000 2.576 19 C HA 0.229 4.689 4.460 0.000 0.000 0.401 19 C C 1.859 176.779 174.990 -0.117 0.000 1.314 19 C CA -0.534 58.504 59.018 0.032 0.000 1.855 19 C CB -0.280 27.546 27.740 0.143 0.000 2.537 19 C HN 1.114 nan 8.230 nan 0.000 0.578 20 R N 2.953 123.311 120.500 -0.237 0.000 2.117 20 R HA -0.135 4.205 4.340 0.000 0.000 0.243 20 R C 2.413 178.479 176.300 -0.390 0.000 1.143 20 R CA 1.878 57.818 56.100 -0.267 0.000 0.968 20 R CB -0.236 29.926 30.300 -0.231 0.000 0.863 20 R HN 0.860 nan 8.270 nan 0.000 0.444 21 R N -0.046 120.076 120.500 -0.631 0.000 2.064 21 R HA -0.078 4.262 4.340 0.000 0.000 0.221 21 R C 2.395 178.519 176.300 -0.293 0.000 1.136 21 R CA 1.610 57.329 56.100 -0.634 0.000 0.980 21 R CB -0.232 29.419 30.300 -1.081 0.000 0.876 21 R HN 0.473 nan 8.270 nan 0.000 0.437 22 C N -1.851 117.343 119.300 -0.177 0.000 2.735 22 C HA 0.500 4.960 4.460 0.000 0.000 0.271 22 C C 1.589 176.549 174.990 -0.050 0.000 1.281 22 C CA 0.264 59.234 59.018 -0.080 0.000 1.719 22 C CB 0.180 27.909 27.740 -0.018 0.000 2.024 22 C HN 0.709 nan 8.230 nan 0.000 0.566 23 G N 0.500 109.271 108.800 -0.048 0.000 2.195 23 G HA2 -0.164 3.796 3.960 0.000 0.000 0.246 23 G HA3 -0.164 3.796 3.960 0.000 0.000 0.246 23 G C -0.207 174.699 174.900 0.010 0.000 0.984 23 G CA 0.422 45.507 45.100 -0.025 0.000 0.633 23 G HN 0.620 nan 8.290 nan 0.000 0.525 24 E N 0.382 120.601 120.200 0.032 0.000 2.349 24 E HA 0.286 4.636 4.350 0.000 0.000 0.265 24 E C 0.454 177.107 176.600 0.088 0.000 1.064 24 E CA -0.545 55.887 56.400 0.054 0.000 0.886 24 E CB 1.029 30.765 29.700 0.061 0.000 1.036 24 E HN 0.352 nan 8.360 nan 0.000 0.413 25 K N 1.504 121.954 120.400 0.083 0.000 2.480 25 K HA 0.129 4.449 4.320 0.000 0.000 0.241 25 K C -0.330 176.363 176.600 0.155 0.000 1.261 25 K CA 0.143 56.497 56.287 0.113 0.000 1.193 25 K CB -0.243 32.305 32.500 0.080 0.000 1.598 25 K HN 0.176 nan 8.250 nan 0.000 0.278 26 S N 1.107 116.940 115.700 0.220 0.000 2.847 26 S HA 0.014 4.484 4.470 0.000 0.000 0.254 26 S C -0.751 174.116 174.600 0.444 0.000 1.039 26 S CA -0.484 57.895 58.200 0.299 0.000 1.113 26 S CB 0.003 63.314 63.200 0.186 0.000 1.092 26 S HN 0.513 nan 8.310 nan 0.000 0.620 27 Y N 3.653 124.092 120.300 0.232 0.000 2.539 27 Y HA 0.291 4.841 4.550 0.000 0.000 0.352 27 Y C 0.356 176.324 175.900 0.113 0.000 1.004 27 Y CA -0.966 57.249 58.100 0.192 0.000 1.278 27 Y CB -0.366 38.198 38.460 0.174 0.000 1.136 27 Y HN 0.244 nan 8.280 nan 0.000 0.528 28 H N 4.219 123.068 119.070 -0.369 0.000 3.160 28 H HA 0.029 4.585 4.556 0.000 0.000 0.257 28 H C 1.449 176.456 175.328 -0.535 0.000 1.140 28 H CA 0.629 56.367 56.048 -0.518 0.000 1.492 28 H CB 0.810 30.276 29.762 -0.494 0.000 1.529 28 H HN 0.846 nan 8.280 nan 0.000 0.490 29 T N 3.192 117.574 114.554 -0.286 0.000 3.077 29 T HA -0.086 4.264 4.350 0.000 0.000 0.269 29 T C 1.514 176.181 174.700 -0.055 0.000 1.146 29 T CA 1.399 63.417 62.100 -0.136 0.000 1.091 29 T CB 0.001 68.856 68.868 -0.021 0.000 0.892 29 T HN 0.632 nan 8.240 nan 0.000 0.533 30 K N -0.361 120.085 120.400 0.076 0.000 2.287 30 K HA 0.190 4.510 4.320 0.000 0.000 0.199 30 K C 2.229 178.828 176.600 -0.002 0.000 1.061 30 K CA 0.416 56.753 56.287 0.085 0.000 0.976 30 K CB 0.279 32.869 32.500 0.149 0.000 0.898 30 K HN 0.200 nan 8.250 nan 0.000 0.492 31 K N 0.546 120.914 120.400 -0.054 0.000 2.314 31 K HA 0.072 4.392 4.320 0.000 0.000 0.198 31 K C -0.051 176.418 176.600 -0.219 0.000 1.045 31 K CA 0.230 56.379 56.287 -0.231 0.000 0.988 31 K CB 0.414 32.650 32.500 -0.440 0.000 0.783 31 K HN -0.151 nan 8.250 nan 0.000 0.484 32 K N 0.265 120.472 120.400 -0.321 0.000 3.117 32 K HA -0.124 4.196 4.320 0.000 0.000 0.269 32 K C -1.070 175.275 176.600 -0.424 0.000 1.098 32 K CA 0.415 56.431 56.287 -0.451 0.000 0.785 32 K CB -2.339 30.082 32.500 -0.131 0.000 1.242 32 K HN 0.049 nan 8.250 nan 0.000 0.491 33 V N 0.209 119.859 119.914 -0.440 0.000 2.709 33 V HA 0.254 4.374 4.120 0.000 0.000 0.308 33 V C 0.149 176.226 176.094 -0.029 0.000 1.062 33 V CA -1.173 61.035 62.300 -0.153 0.000 0.901 33 V CB 2.411 34.180 31.823 -0.090 0.000 1.003 33 V HN 0.408 nan 8.190 nan 0.000 0.425 34 C N 4.215 123.657 119.300 0.236 0.000 2.394 34 C HA 0.355 4.815 4.460 0.000 0.000 0.362 34 C C 2.041 177.179 174.990 0.247 0.000 1.268 34 C CA 0.326 59.552 59.018 0.346 0.000 1.828 34 C CB 0.157 28.180 27.740 0.471 0.000 2.442 34 C HN 1.126 nan 8.230 nan 0.000 0.549 35 S N 3.547 119.400 115.700 0.255 0.000 2.453 35 S HA -0.112 4.358 4.470 0.000 0.000 0.231 35 S C 1.786 176.495 174.600 0.182 0.000 1.005 35 S CA 1.561 59.889 58.200 0.214 0.000 0.949 35 S CB -0.202 63.133 63.200 0.226 0.000 0.774 35 S HN 0.864 nan 8.310 nan 0.000 0.510 36 S N 0.690 116.494 115.700 0.173 0.000 2.355 36 S HA -0.036 4.434 4.470 0.000 0.000 0.216 36 S C 2.057 176.730 174.600 0.122 0.000 1.037 36 S CA 0.873 59.153 58.200 0.134 0.000 0.955 36 S CB -0.659 62.606 63.200 0.108 0.000 0.877 36 S HN 0.900 nan 8.310 nan 0.000 0.488 37 C N 0.309 119.691 119.300 0.136 0.000 2.926 37 C HA 0.685 5.145 4.460 0.000 0.000 0.272 37 C C 1.832 176.904 174.990 0.138 0.000 1.249 37 C CA 0.219 59.302 59.018 0.108 0.000 1.691 37 C CB -0.641 27.152 27.740 0.088 0.000 1.983 37 C HN 0.877 nan 8.230 nan 0.000 0.615 38 G N 0.420 109.329 108.800 0.182 0.000 2.159 38 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 38 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 38 G C -0.159 174.873 174.900 0.220 0.000 0.977 38 G CA 0.253 45.456 45.100 0.171 0.000 0.652 38 G HN 0.790 nan 8.290 nan 0.000 0.531 39 F N 1.585 121.605 119.950 0.115 0.000 2.608 39 F HA 0.409 4.936 4.527 0.000 0.000 0.380 39 F C 1.537 177.448 175.800 0.184 0.000 1.083 39 F CA 1.120 59.196 58.000 0.126 0.000 1.266 39 F CB 0.572 39.644 39.000 0.121 0.000 1.076 39 F HN 1.160 nan 8.300 nan 0.000 0.574 40 G N 4.566 113.133 108.800 -0.388 0.000 2.213 40 G HA2 -0.334 3.626 3.960 0.000 0.000 0.236 40 G HA3 -0.334 3.626 3.960 0.000 0.000 0.236 40 G C 1.135 175.967 174.900 -0.114 0.000 0.991 40 G CA 0.474 45.371 45.100 -0.337 0.000 0.629 40 G HN 0.749 nan 8.290 nan 0.000 0.517 41 K N 0.265 120.650 120.400 -0.024 0.000 2.344 41 K HA 0.382 4.702 4.320 0.000 0.000 0.200 41 K C 0.934 177.549 176.600 0.025 0.000 1.132 41 K CA 1.294 57.584 56.287 0.007 0.000 0.935 41 K CB 0.437 32.960 32.500 0.039 0.000 1.089 41 K HN 0.850 nan 8.250 nan 0.000 0.496 42 S N -1.368 114.364 115.700 0.053 0.000 2.546 42 S HA 0.562 5.032 4.470 0.000 0.000 0.274 42 S C 0.448 175.095 174.600 0.078 0.000 1.121 42 S CA -0.383 57.849 58.200 0.052 0.000 0.887 42 S CB 1.840 65.064 63.200 0.041 0.000 1.094 42 S HN 0.167 nan 8.310 nan 0.000 0.474 43 A N 2.316 125.172 122.820 0.060 0.000 1.930 43 A HA 0.150 4.470 4.320 0.000 0.000 0.217 43 A C 0.987 178.601 177.584 0.051 0.000 1.175 43 A CA 0.872 52.950 52.037 0.068 0.000 0.627 43 A CB -0.552 18.475 19.000 0.044 0.000 0.815 43 A HN 0.810 nan 8.150 nan 0.000 0.443 44 K N 0.329 120.744 120.400 0.025 0.000 2.168 44 K HA 0.299 4.619 4.320 0.000 0.000 0.258 44 K C -0.237 176.362 176.600 -0.002 0.000 1.010 44 K CA -0.676 55.610 56.287 -0.001 0.000 0.929 44 K CB 0.457 32.943 32.500 -0.025 0.000 0.998 44 K HN 0.128 nan 8.250 nan 0.000 0.479 45 R N 2.130 122.614 120.500 -0.027 0.000 2.438 45 R HA 0.079 4.419 4.340 0.000 0.000 0.287 45 R C 0.163 176.410 176.300 -0.088 0.000 1.077 45 R CA -0.234 55.846 56.100 -0.033 0.000 1.034 45 R CB 0.524 30.798 30.300 -0.044 0.000 0.993 45 R HN 0.580 nan 8.270 nan 0.000 0.459 46 R N 2.319 122.778 120.500 -0.068 0.000 2.458 46 R HA -0.039 4.301 4.340 0.000 0.000 0.303 46 R C -0.594 175.549 176.300 -0.262 0.000 1.013 46 R CA 0.766 56.774 56.100 -0.153 0.000 1.026 46 R CB 0.261 30.566 30.300 0.008 0.000 0.948 46 R HN 0.603 nan 8.270 nan 0.000 0.417 47 D N 4.069 124.140 120.400 -0.547 0.000 2.927 47 D HA 0.192 4.832 4.640 0.000 0.000 0.219 47 D C -1.714 174.051 176.300 -0.893 0.000 1.248 47 D CA -0.388 53.307 54.000 -0.508 0.000 0.861 47 D CB 1.077 41.691 40.800 -0.310 0.000 1.677 47 D HN 0.456 nan 8.370 nan 0.000 0.511 48 Y N 1.024 121.040 120.300 -0.474 0.000 2.524 48 Y HA 0.202 4.752 4.550 0.000 0.000 0.347 48 Y C 1.308 176.837 175.900 -0.619 0.000 1.005 48 Y CA -0.802 56.877 58.100 -0.702 0.000 1.025 48 Y CB 2.018 39.570 38.460 -1.513 0.000 1.275 48 Y HN 0.233 nan 8.280 nan 0.000 0.460 49 E N 1.943 121.998 120.200 -0.241 0.000 2.204 49 E HA -0.137 4.213 4.350 0.000 0.000 0.194 49 E C 1.568 178.160 176.600 -0.014 0.000 0.989 49 E CA 0.987 57.331 56.400 -0.094 0.000 0.824 49 E CB -0.057 29.650 29.700 0.012 0.000 0.756 49 E HN 0.838 nan 8.360 nan 0.000 0.477 50 W N 0.598 121.961 121.300 0.105 0.000 2.961 50 W HA 0.047 4.707 4.660 0.000 0.000 0.240 50 W C 0.674 177.229 176.519 0.059 0.000 1.305 50 W CA -0.082 57.300 57.345 0.062 0.000 1.465 50 W CB -0.528 28.952 29.460 0.033 0.000 1.135 50 W HN 0.034 nan 8.180 nan 0.000 0.688 51 Q N 1.800 121.598 119.800 -0.003 0.000 2.466 51 Q HA -0.011 4.329 4.340 0.000 0.000 0.210 51 Q C 0.574 176.616 176.000 0.070 0.000 0.961 51 Q CA 0.742 56.565 55.803 0.034 0.000 0.953 51 Q CB 0.083 28.727 28.738 -0.156 0.000 1.011 51 Q HN 0.239 nan 8.270 nan 0.000 0.516 52 S N -1.470 114.282 115.700 0.086 0.000 2.565 52 S HA 0.391 4.861 4.470 0.000 0.000 0.269 52 S C -0.982 173.666 174.600 0.081 0.000 1.153 52 S CA -1.279 56.961 58.200 0.065 0.000 0.835 52 S CB 1.553 64.769 63.200 0.026 0.000 1.122 52 S HN -0.175 nan 8.310 nan 0.000 0.462 53 K N 1.102 121.539 120.400 0.063 0.000 2.485 53 K HA 0.286 4.606 4.320 0.000 0.000 0.277 53 K C 1.702 178.335 176.600 0.054 0.000 0.990 53 K CA 0.538 56.860 56.287 0.058 0.000 0.994 53 K CB 0.333 32.858 32.500 0.041 0.000 0.906 53 K HN 0.860 nan 8.250 nan 0.000 0.488 54 A N 3.151 126.005 122.820 0.057 0.000 1.927 54 A HA -0.167 4.153 4.320 0.000 0.000 0.220 54 A C 1.598 179.204 177.584 0.036 0.000 1.185 54 A CA 2.258 54.326 52.037 0.052 0.000 0.639 54 A CB -0.619 18.411 19.000 0.050 0.000 0.820 54 A HN 0.740 nan 8.150 nan 0.000 0.451 55 G N -0.980 107.837 108.800 0.029 0.000 3.562 55 G HA2 0.448 4.408 3.960 0.000 0.000 0.279 55 G HA3 0.448 4.408 3.960 0.000 0.000 0.279 55 G C 0.005 174.916 174.900 0.018 0.000 1.314 55 G CA 0.514 45.626 45.100 0.021 0.000 1.189 55 G HN 0.619 nan 8.290 nan 0.000 0.562 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 0.017 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000