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 1nji_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 0.001 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 0.628 109.429 108.800 0.001 0.000 2.441 2 G HA2 0.472 4.432 3.960 0.000 0.000 0.243 2 G HA3 0.472 4.432 3.960 0.000 0.000 0.243 2 G C 1.032 175.932 174.900 0.001 0.000 1.281 2 G CA -0.023 45.078 45.100 0.001 0.000 0.854 2 G HN 1.026 nan 8.290 nan 0.000 0.560 3 A N 1.865 124.686 122.820 0.001 0.000 2.169 3 A HA 0.365 4.685 4.320 0.000 0.000 0.212 3 A C 1.814 179.399 177.584 0.002 0.000 1.153 3 A CA 1.425 53.463 52.037 0.002 0.000 0.756 3 A CB -0.234 18.767 19.000 0.001 0.000 0.813 3 A HN 0.892 nan 8.150 nan 0.000 0.471 4 G N -1.071 107.730 108.800 0.002 0.000 3.372 4 G HA2 0.245 4.205 3.960 0.000 0.000 0.178 4 G HA3 0.245 4.205 3.960 0.000 0.000 0.178 4 G C 1.211 176.112 174.900 0.003 0.000 1.817 4 G CA 0.903 46.005 45.100 0.002 0.000 0.996 4 G HN 0.194 nan 8.290 nan 0.000 0.559 5 T N 2.855 117.410 114.554 0.003 0.000 2.592 5 T HA -0.141 4.209 4.350 0.000 0.000 0.267 5 T C 0.115 174.817 174.700 0.003 0.000 1.060 5 T CA 2.279 64.380 62.100 0.003 0.000 1.167 5 T CB -1.244 67.626 68.868 0.002 0.000 0.863 5 T HN 0.372 nan 8.240 nan 0.000 0.431 6 P HA -0.019 nan 4.420 nan 0.000 0.217 6 P C 1.256 178.557 177.300 0.002 0.000 1.148 6 P CA 1.167 64.268 63.100 0.002 0.000 0.828 6 P CB -0.138 31.562 31.700 0.002 0.000 0.783 7 S N -0.553 115.149 115.700 0.003 0.000 2.603 7 S HA 0.011 4.481 4.470 0.000 0.000 0.220 7 S C 1.705 176.307 174.600 0.004 0.000 0.967 7 S CA 0.373 58.575 58.200 0.003 0.000 0.920 7 S CB -0.352 62.850 63.200 0.003 0.000 0.773 7 S HN 0.172 nan 8.310 nan 0.000 0.529 8 Q N 0.567 120.370 119.800 0.004 0.000 2.389 8 Q HA 0.152 4.492 4.340 0.000 0.000 0.204 8 Q C 2.137 178.139 176.000 0.004 0.000 0.944 8 Q CA 0.636 56.442 55.803 0.005 0.000 0.908 8 Q CB -0.807 27.934 28.738 0.005 0.000 1.002 8 Q HN 0.563 nan 8.270 nan 0.000 0.493 9 G N 1.210 110.012 108.800 0.004 0.000 2.443 9 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 9 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 9 G C 1.238 176.140 174.900 0.003 0.000 1.131 9 G CA 0.258 45.360 45.100 0.003 0.000 0.775 9 G HN 0.294 nan 8.290 nan 0.000 0.547 10 K N 0.295 120.697 120.400 0.003 0.000 2.458 10 K HA 0.107 4.427 4.320 0.000 0.000 0.194 10 K C 0.291 176.892 176.600 0.002 0.000 1.024 10 K CA 0.059 56.347 56.287 0.002 0.000 1.108 10 K CB 0.314 32.816 32.500 0.002 0.000 0.846 10 K HN 0.150 nan 8.250 nan 0.000 0.518 11 K N 2.713 123.115 120.400 0.003 0.000 2.142 11 K HA 0.047 4.367 4.320 0.000 0.000 0.250 11 K C 0.049 176.650 176.600 0.001 0.000 1.148 11 K CA -0.137 56.152 56.287 0.003 0.000 1.040 11 K CB 0.002 32.506 32.500 0.006 0.000 1.569 11 K HN 0.160 nan 8.250 nan 0.000 0.361 12 N N -0.000 118.699 118.700 -0.002 0.000 2.377 12 N HA 0.002 4.742 4.740 0.000 0.000 0.259 12 N C -0.776 174.730 175.510 -0.007 0.000 1.332 12 N CA -0.455 52.594 53.050 -0.003 0.000 0.877 12 N CB 0.671 39.158 38.487 -0.001 0.000 1.299 12 N HN -0.067 nan 8.380 nan 0.000 0.501 13 T N 0.561 115.107 114.554 -0.013 0.000 2.799 13 T HA 0.346 4.696 4.350 0.000 0.000 0.286 13 T C -0.266 174.410 174.700 -0.040 0.000 0.973 13 T CA 0.053 62.139 62.100 -0.024 0.000 1.035 13 T CB 1.435 70.288 68.868 -0.025 0.000 0.932 13 T HN 0.036 nan 8.240 nan 0.000 0.469 14 T N 2.936 117.460 114.554 -0.049 0.000 2.771 14 T HA 0.424 4.774 4.350 0.000 0.000 0.291 14 T C 1.262 175.874 174.700 -0.147 0.000 0.954 14 T CA -0.535 61.525 62.100 -0.068 0.000 1.045 14 T CB 0.940 69.784 68.868 -0.039 0.000 0.917 14 T HN 0.858 nan 8.240 nan 0.000 0.484 15 T N -0.234 114.175 114.554 -0.242 0.000 3.447 15 T HA 0.170 4.520 4.350 0.000 0.000 0.218 15 T C 0.416 174.756 174.700 -0.601 0.000 0.972 15 T CA -0.284 61.462 62.100 -0.591 0.000 1.264 15 T CB -0.144 68.224 68.868 -0.834 0.000 1.284 15 T HN 0.537 nan 8.240 nan 0.000 0.361 16 H N 3.371 122.274 119.070 -0.277 0.000 2.767 16 H HA 0.532 5.088 4.556 0.000 0.000 0.316 16 H C 0.270 175.590 175.328 -0.013 0.000 1.059 16 H CA 0.663 56.644 56.048 -0.113 0.000 1.461 16 H CB 0.637 30.373 29.762 -0.043 0.000 1.475 16 H HN 0.708 nan 8.280 nan 0.000 0.531 17 T N -0.254 114.407 114.554 0.179 0.000 2.901 17 T HA 0.305 4.655 4.350 0.000 0.000 0.293 17 T C -0.035 174.785 174.700 0.200 0.000 1.084 17 T CA -1.356 60.844 62.100 0.167 0.000 1.008 17 T CB 2.289 71.252 68.868 0.159 0.000 1.170 17 T HN 0.303 nan 8.240 nan 0.000 0.509 18 K N 0.709 121.184 120.400 0.125 0.000 2.511 18 K HA 0.113 4.433 4.320 0.000 0.000 0.277 18 K C -0.066 176.584 176.600 0.084 0.000 1.025 18 K CA -0.139 56.198 56.287 0.084 0.000 1.112 18 K CB -0.587 31.938 32.500 0.041 0.000 0.859 18 K HN 0.797 nan 8.250 nan 0.000 0.485 19 C N 6.360 125.700 119.300 0.066 0.000 2.415 19 C HA 0.322 4.782 4.460 0.000 0.000 0.369 19 C C 1.848 176.739 174.990 -0.164 0.000 1.279 19 C CA -0.659 58.352 59.018 -0.010 0.000 1.886 19 C CB 0.073 27.868 27.740 0.093 0.000 2.468 19 C HN 1.127 nan 8.230 nan 0.000 0.553 20 R N 2.637 122.954 120.500 -0.304 0.000 2.113 20 R HA -0.158 4.182 4.340 0.000 0.000 0.244 20 R C 2.453 178.501 176.300 -0.420 0.000 1.142 20 R CA 2.102 57.999 56.100 -0.338 0.000 0.953 20 R CB -0.261 29.808 30.300 -0.384 0.000 0.860 20 R HN 0.859 nan 8.270 nan 0.000 0.438 21 R N -0.068 120.040 120.500 -0.653 0.000 2.062 21 R HA -0.113 4.227 4.340 0.000 0.000 0.229 21 R C 2.229 178.368 176.300 -0.268 0.000 1.128 21 R CA 1.847 57.598 56.100 -0.580 0.000 0.960 21 R CB -0.088 29.723 30.300 -0.816 0.000 0.855 21 R HN 0.533 nan 8.270 nan 0.000 0.432 22 C N -2.849 116.351 119.300 -0.167 0.000 3.228 22 C HA 0.544 5.004 4.460 0.000 0.000 0.290 22 C C 1.444 176.401 174.990 -0.055 0.000 1.301 22 C CA 0.053 59.022 59.018 -0.082 0.000 1.703 22 C CB 0.265 27.988 27.740 -0.028 0.000 2.141 22 C HN 0.670 nan 8.230 nan 0.000 0.656 23 G N 0.887 109.650 108.800 -0.061 0.000 2.205 23 G HA2 -0.183 3.777 3.960 0.000 0.000 0.261 23 G HA3 -0.183 3.777 3.960 0.000 0.000 0.261 23 G C -0.171 174.728 174.900 -0.002 0.000 0.980 23 G CA 0.564 45.643 45.100 -0.035 0.000 0.632 23 G HN 0.633 nan 8.290 nan 0.000 0.533 24 E N 0.285 120.495 120.200 0.017 0.000 2.349 24 E HA 0.289 4.639 4.350 0.000 0.000 0.262 24 E C 0.539 177.179 176.600 0.067 0.000 1.088 24 E CA -0.473 55.949 56.400 0.037 0.000 0.899 24 E CB 0.870 30.596 29.700 0.044 0.000 1.044 24 E HN 0.388 nan 8.360 nan 0.000 0.420 25 K N 1.289 121.726 120.400 0.063 0.000 2.518 25 K HA 0.168 4.488 4.320 0.000 0.000 0.244 25 K C -0.350 176.318 176.600 0.113 0.000 1.232 25 K CA 0.104 56.445 56.287 0.090 0.000 1.189 25 K CB -0.186 32.352 32.500 0.063 0.000 1.737 25 K HN 0.158 nan 8.250 nan 0.000 0.333 26 S N 1.258 117.061 115.700 0.171 0.000 2.847 26 S HA 0.019 4.489 4.470 0.000 0.000 0.254 26 S C -0.818 174.016 174.600 0.390 0.000 1.039 26 S CA -0.478 57.844 58.200 0.203 0.000 1.113 26 S CB -0.027 63.242 63.200 0.115 0.000 1.092 26 S HN 0.533 nan 8.310 nan 0.000 0.620 27 Y N 3.621 124.053 120.300 0.219 0.000 2.531 27 Y HA 0.269 4.819 4.550 0.000 0.000 0.347 27 Y C 0.351 176.370 175.900 0.198 0.000 1.024 27 Y CA -0.928 57.305 58.100 0.221 0.000 1.306 27 Y CB -0.290 38.281 38.460 0.185 0.000 1.149 27 Y HN 0.245 nan 8.280 nan 0.000 0.527 28 H N 4.386 123.319 119.070 -0.228 0.000 3.157 28 H HA 0.054 4.610 4.556 0.000 0.000 0.260 28 H C 1.470 176.499 175.328 -0.497 0.000 1.232 28 H CA 0.512 56.333 56.048 -0.378 0.000 1.488 28 H CB 0.703 30.255 29.762 -0.351 0.000 1.548 28 H HN 0.877 nan 8.280 nan 0.000 0.487 29 T N 3.365 117.765 114.554 -0.258 0.000 2.996 29 T HA -0.112 4.238 4.350 0.000 0.000 0.271 29 T C 1.743 176.414 174.700 -0.047 0.000 1.126 29 T CA 1.254 63.273 62.100 -0.134 0.000 1.103 29 T CB -0.090 68.767 68.868 -0.017 0.000 0.870 29 T HN 0.544 nan 8.240 nan 0.000 0.528 30 K N 0.461 120.918 120.400 0.094 0.000 2.166 30 K HA 0.136 4.456 4.320 0.000 0.000 0.201 30 K C 2.090 178.693 176.600 0.004 0.000 1.052 30 K CA 0.752 57.097 56.287 0.096 0.000 0.969 30 K CB 0.046 32.657 32.500 0.186 0.000 0.761 30 K HN 0.370 nan 8.250 nan 0.000 0.459 31 K N 0.653 121.026 120.400 -0.045 0.000 2.356 31 K HA 0.073 4.393 4.320 0.000 0.000 0.195 31 K C -0.090 176.381 176.600 -0.216 0.000 1.037 31 K CA -0.070 56.081 56.287 -0.226 0.000 1.014 31 K CB 0.376 32.614 32.500 -0.436 0.000 0.815 31 K HN -0.155 nan 8.250 nan 0.000 0.507 32 K N 0.438 120.644 120.400 -0.324 0.000 3.071 32 K HA -0.138 4.182 4.320 0.000 0.000 0.265 32 K C -0.986 175.406 176.600 -0.347 0.000 1.060 32 K CA 0.459 56.492 56.287 -0.423 0.000 0.767 32 K CB -2.325 30.124 32.500 -0.084 0.000 1.241 32 K HN 0.061 nan 8.250 nan 0.000 0.486 33 V N 0.053 119.724 119.914 -0.405 0.000 2.686 33 V HA 0.222 4.342 4.120 0.000 0.000 0.306 33 V C 0.027 176.161 176.094 0.068 0.000 1.065 33 V CA -1.187 61.067 62.300 -0.076 0.000 0.894 33 V CB 2.451 34.239 31.823 -0.057 0.000 1.004 33 V HN 0.407 nan 8.190 nan 0.000 0.424 34 C N 4.156 123.647 119.300 0.319 0.000 2.394 34 C HA 0.366 4.826 4.460 0.000 0.000 0.362 34 C C 1.980 177.118 174.990 0.247 0.000 1.268 34 C CA 0.303 59.545 59.018 0.373 0.000 1.828 34 C CB 0.190 28.205 27.740 0.458 0.000 2.442 34 C HN 1.115 nan 8.230 nan 0.000 0.549 35 S N 3.388 119.230 115.700 0.236 0.000 2.515 35 S HA -0.092 4.378 4.470 0.000 0.000 0.231 35 S C 1.650 176.344 174.600 0.157 0.000 0.987 35 S CA 1.401 59.713 58.200 0.187 0.000 0.936 35 S CB -0.100 63.208 63.200 0.180 0.000 0.766 35 S HN 0.837 nan 8.310 nan 0.000 0.528 36 S N 0.572 116.364 115.700 0.152 0.000 2.398 36 S HA 0.004 4.474 4.470 0.000 0.000 0.220 36 S C 1.977 176.643 174.600 0.110 0.000 1.046 36 S CA 0.705 58.975 58.200 0.116 0.000 0.953 36 S CB -0.515 62.739 63.200 0.090 0.000 0.856 36 S HN 0.886 nan 8.310 nan 0.000 0.506 37 C N 0.069 119.446 119.300 0.128 0.000 2.926 37 C HA 0.702 5.162 4.460 0.000 0.000 0.272 37 C C 1.884 176.954 174.990 0.132 0.000 1.249 37 C CA 0.313 59.393 59.018 0.103 0.000 1.691 37 C CB -0.454 27.335 27.740 0.082 0.000 1.983 37 C HN 0.826 nan 8.230 nan 0.000 0.615 38 G N 0.271 109.178 108.800 0.178 0.000 2.195 38 G HA2 -0.262 3.698 3.960 0.000 0.000 0.246 38 G HA3 -0.262 3.698 3.960 0.000 0.000 0.246 38 G C -0.107 174.917 174.900 0.207 0.000 0.984 38 G CA 0.187 45.385 45.100 0.164 0.000 0.633 38 G HN 0.745 nan 8.290 nan 0.000 0.525 39 F N 1.984 121.996 119.950 0.104 0.000 2.623 39 F HA 0.368 4.895 4.527 0.000 0.000 0.386 39 F C 1.591 177.499 175.800 0.180 0.000 1.068 39 F CA 1.785 59.852 58.000 0.112 0.000 1.265 39 F CB 0.464 39.519 39.000 0.092 0.000 1.026 39 F HN 1.255 nan 8.300 nan 0.000 0.568 40 G N 4.436 112.945 108.800 -0.484 0.000 2.232 40 G HA2 -0.324 3.636 3.960 0.000 0.000 0.226 40 G HA3 -0.324 3.636 3.960 0.000 0.000 0.226 40 G C 1.045 175.863 174.900 -0.137 0.000 0.996 40 G CA 0.440 45.327 45.100 -0.356 0.000 0.626 40 G HN 0.793 nan 8.290 nan 0.000 0.509 41 K N -0.277 120.092 120.400 -0.052 0.000 2.424 41 K HA 0.441 4.761 4.320 0.000 0.000 0.200 41 K C 0.602 177.205 176.600 0.005 0.000 1.279 41 K CA 1.006 57.285 56.287 -0.012 0.000 0.918 41 K CB 0.595 33.108 32.500 0.023 0.000 1.287 41 K HN 0.450 nan 8.250 nan 0.000 0.502 42 S N -0.545 115.173 115.700 0.029 0.000 2.538 42 S HA 0.572 5.042 4.470 0.000 0.000 0.288 42 S C 0.325 174.958 174.600 0.055 0.000 1.108 42 S CA -0.252 57.968 58.200 0.033 0.000 0.971 42 S CB 1.816 65.034 63.200 0.029 0.000 1.041 42 S HN 0.317 nan 8.310 nan 0.000 0.483 43 A N 4.973 127.817 122.820 0.041 0.000 1.877 43 A HA 0.111 4.431 4.320 0.000 0.000 0.216 43 A C 0.982 178.594 177.584 0.048 0.000 1.186 43 A CA 1.074 53.144 52.037 0.055 0.000 0.620 43 A CB -0.524 18.496 19.000 0.033 0.000 0.822 43 A HN 0.796 nan 8.150 nan 0.000 0.443 44 K N 0.246 120.657 120.400 0.019 0.000 2.276 44 K HA 0.211 4.531 4.320 0.000 0.000 0.259 44 K C -0.141 176.457 176.600 -0.004 0.000 1.001 44 K CA -0.382 55.902 56.287 -0.004 0.000 0.927 44 K CB 0.336 32.820 32.500 -0.027 0.000 0.969 44 K HN 0.188 nan 8.250 nan 0.000 0.490 45 R N 2.108 122.592 120.500 -0.027 0.000 2.390 45 R HA 0.093 4.433 4.340 0.000 0.000 0.291 45 R C 0.154 176.404 176.300 -0.083 0.000 1.070 45 R CA -0.355 55.727 56.100 -0.030 0.000 1.014 45 R CB 0.793 31.070 30.300 -0.037 0.000 1.007 45 R HN 0.585 nan 8.270 nan 0.000 0.466 46 R N 1.935 122.399 120.500 -0.061 0.000 2.484 46 R HA -0.044 4.296 4.340 0.000 0.000 0.293 46 R C -0.903 175.261 176.300 -0.228 0.000 1.023 46 R CA 0.653 56.675 56.100 -0.130 0.000 1.037 46 R CB 0.215 30.521 30.300 0.011 0.000 0.951 46 R HN 0.655 nan 8.270 nan 0.000 0.418 47 D N 2.997 123.095 120.400 -0.505 0.000 2.769 47 D HA 0.270 4.911 4.640 0.000 0.000 0.219 47 D C -1.952 173.830 176.300 -0.863 0.000 1.245 47 D CA -0.392 53.320 54.000 -0.481 0.000 0.801 47 D CB 0.742 41.368 40.800 -0.290 0.000 1.598 47 D HN 0.414 nan 8.370 nan 0.000 0.485 48 Y N 0.935 120.940 120.300 -0.492 0.000 2.553 48 Y HA 0.312 4.862 4.550 0.000 0.000 0.347 48 Y C 0.983 176.553 175.900 -0.550 0.000 1.019 48 Y CA -0.856 56.834 58.100 -0.683 0.000 1.032 48 Y CB 2.070 39.587 38.460 -1.571 0.000 1.284 48 Y HN 0.280 nan 8.280 nan 0.000 0.466 49 E N 1.654 121.750 120.200 -0.173 0.000 2.274 49 E HA -0.121 4.229 4.350 0.000 0.000 0.194 49 E C 1.452 178.086 176.600 0.056 0.000 0.996 49 E CA 0.864 57.240 56.400 -0.041 0.000 0.840 49 E CB -0.048 29.677 29.700 0.042 0.000 0.772 49 E HN 0.839 nan 8.360 nan 0.000 0.491 50 W N 0.516 121.884 121.300 0.113 0.000 3.077 50 W HA 0.093 4.753 4.660 0.000 0.000 0.245 50 W C 0.687 177.240 176.519 0.057 0.000 1.316 50 W CA -0.162 57.221 57.345 0.064 0.000 1.537 50 W CB -0.425 29.055 29.460 0.033 0.000 1.131 50 W HN 0.025 nan 8.180 nan 0.000 0.695 51 Q N 1.709 121.556 119.800 0.078 0.000 2.482 51 Q HA -0.014 4.326 4.340 0.000 0.000 0.209 51 Q C 0.848 176.906 176.000 0.096 0.000 0.961 51 Q CA 0.811 56.660 55.803 0.077 0.000 0.945 51 Q CB 0.223 28.887 28.738 -0.124 0.000 1.012 51 Q HN 0.231 nan 8.270 nan 0.000 0.515 52 S N -1.264 114.497 115.700 0.100 0.000 2.651 52 S HA 0.451 4.921 4.470 0.000 0.000 0.279 52 S C -0.831 173.822 174.600 0.089 0.000 1.148 52 S CA -1.207 57.038 58.200 0.075 0.000 0.837 52 S CB 1.781 65.003 63.200 0.036 0.000 1.138 52 S HN -0.199 nan 8.310 nan 0.000 0.478 53 K N 0.872 121.311 120.400 0.065 0.000 2.382 53 K HA 0.373 4.693 4.320 0.000 0.000 0.275 53 K C 1.640 178.275 176.600 0.057 0.000 1.009 53 K CA 0.426 56.750 56.287 0.060 0.000 0.970 53 K CB 0.583 33.109 32.500 0.043 0.000 0.934 53 K HN 0.822 nan 8.250 nan 0.000 0.479 54 A N 2.969 125.825 122.820 0.060 0.000 1.915 54 A HA -0.173 4.147 4.320 0.000 0.000 0.220 54 A C 1.521 179.129 177.584 0.039 0.000 1.198 54 A CA 2.293 54.363 52.037 0.055 0.000 0.647 54 A CB -0.664 18.366 19.000 0.051 0.000 0.825 54 A HN 0.733 nan 8.150 nan 0.000 0.456 55 G N -0.882 107.936 108.800 0.031 0.000 3.782 55 G HA2 0.460 4.420 3.960 0.000 0.000 0.288 55 G HA3 0.460 4.420 3.960 0.000 0.000 0.288 55 G C -0.062 174.850 174.900 0.020 0.000 1.300 55 G CA 0.538 45.652 45.100 0.023 0.000 1.261 55 G HN 0.643 nan 8.290 nan 0.000 0.591 56 E N 0.000 120.213 120.200 0.022 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 0.017 0.000 0.000 56 E CB 0.000 29.712 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000