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 3g6e_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 0.665 109.465 108.800 0.001 0.000 2.467 2 G HA2 0.513 4.473 3.960 0.000 0.000 0.257 2 G HA3 0.513 4.473 3.960 0.000 0.000 0.257 2 G C 1.041 175.942 174.900 0.002 0.000 1.227 2 G CA -0.135 44.966 45.100 0.001 0.000 0.835 2 G HN 1.010 nan 8.290 nan 0.000 0.556 3 A N 1.726 124.547 122.820 0.001 0.000 2.168 3 A HA 0.292 4.612 4.320 0.000 0.000 0.215 3 A C 1.890 179.475 177.584 0.002 0.000 1.152 3 A CA 1.549 53.587 52.037 0.002 0.000 0.716 3 A CB -0.385 18.616 19.000 0.001 0.000 0.794 3 A HN 0.891 nan 8.150 nan 0.000 0.465 4 G N -0.954 107.847 108.800 0.002 0.000 3.224 4 G HA2 0.200 4.160 3.960 0.000 0.000 0.161 4 G HA3 0.200 4.160 3.960 0.000 0.000 0.161 4 G C 1.240 176.142 174.900 0.003 0.000 1.872 4 G CA 0.914 46.015 45.100 0.002 0.000 1.012 4 G HN 0.241 nan 8.290 nan 0.000 0.504 5 T N 2.542 117.098 114.554 0.002 0.000 2.685 5 T HA -0.112 4.238 4.350 0.000 0.000 0.268 5 T C -0.000 174.701 174.700 0.003 0.000 1.034 5 T CA 1.903 64.005 62.100 0.003 0.000 1.149 5 T CB -1.082 67.788 68.868 0.002 0.000 0.860 5 T HN 0.373 nan 8.240 nan 0.000 0.449 6 P HA 0.134 nan 4.420 nan 0.000 0.225 6 P C 1.185 178.487 177.300 0.003 0.000 1.156 6 P CA 0.801 63.902 63.100 0.003 0.000 0.787 6 P CB -0.014 31.687 31.700 0.002 0.000 0.802 7 S N -0.206 115.496 115.700 0.004 0.000 2.558 7 S HA 0.008 4.478 4.470 0.000 0.000 0.217 7 S C 1.707 176.310 174.600 0.005 0.000 0.975 7 S CA 0.404 58.606 58.200 0.004 0.000 0.912 7 S CB -0.295 62.908 63.200 0.004 0.000 0.776 7 S HN 0.160 nan 8.310 nan 0.000 0.526 8 Q N 0.622 120.425 119.800 0.005 0.000 2.378 8 Q HA 0.142 4.482 4.340 0.000 0.000 0.205 8 Q C 2.103 178.106 176.000 0.006 0.000 0.954 8 Q CA 0.690 56.496 55.803 0.006 0.000 0.901 8 Q CB -0.812 27.930 28.738 0.005 0.000 0.981 8 Q HN 0.561 nan 8.270 nan 0.000 0.483 9 G N 1.083 109.886 108.800 0.005 0.000 2.471 9 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 9 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 9 G C 1.356 176.259 174.900 0.005 0.000 1.125 9 G CA 0.218 45.321 45.100 0.005 0.000 0.775 9 G HN 0.285 nan 8.290 nan 0.000 0.548 10 K N 0.214 120.617 120.400 0.005 0.000 2.487 10 K HA 0.087 4.407 4.320 0.000 0.000 0.192 10 K C 0.482 177.085 176.600 0.006 0.000 1.027 10 K CA 0.096 56.386 56.287 0.005 0.000 1.054 10 K CB 0.231 32.734 32.500 0.006 0.000 0.824 10 K HN 0.151 nan 8.250 nan 0.000 0.510 11 K N 2.716 123.120 120.400 0.007 0.000 2.155 11 K HA 0.025 4.345 4.320 0.000 0.000 0.240 11 K C 0.071 176.674 176.600 0.006 0.000 1.193 11 K CA -0.057 56.234 56.287 0.008 0.000 1.104 11 K CB -0.067 32.439 32.500 0.010 0.000 1.558 11 K HN 0.168 nan 8.250 nan 0.000 0.313 12 N N -0.149 118.554 118.700 0.004 0.000 2.299 12 N HA -0.006 4.734 4.740 0.000 0.000 0.246 12 N C -0.655 174.854 175.510 -0.000 0.000 1.254 12 N CA -0.429 52.623 53.050 0.003 0.000 0.879 12 N CB 0.604 39.093 38.487 0.003 0.000 1.214 12 N HN -0.070 nan 8.380 nan 0.000 0.510 13 T N 0.499 115.051 114.554 -0.003 0.000 2.882 13 T HA 0.355 4.705 4.350 0.000 0.000 0.287 13 T C -0.251 174.435 174.700 -0.024 0.000 0.992 13 T CA 0.088 62.181 62.100 -0.011 0.000 1.076 13 T CB 1.441 70.304 68.868 -0.010 0.000 0.961 13 T HN 0.029 nan 8.240 nan 0.000 0.490 14 T N 2.656 117.189 114.554 -0.036 0.000 2.749 14 T HA 0.448 4.798 4.350 0.000 0.000 0.287 14 T C 1.224 175.849 174.700 -0.125 0.000 0.970 14 T CA -0.626 61.443 62.100 -0.052 0.000 0.980 14 T CB 1.033 69.885 68.868 -0.027 0.000 0.924 14 T HN 0.860 nan 8.240 nan 0.000 0.456 15 T N -0.494 113.932 114.554 -0.212 0.000 3.447 15 T HA 0.164 4.514 4.350 0.000 0.000 0.218 15 T C 0.474 174.834 174.700 -0.567 0.000 0.972 15 T CA -0.247 61.519 62.100 -0.556 0.000 1.264 15 T CB -0.193 68.200 68.868 -0.791 0.000 1.284 15 T HN 0.540 nan 8.240 nan 0.000 0.361 16 H N 3.576 122.480 119.070 -0.277 0.000 2.955 16 H HA 0.452 5.008 4.556 0.000 0.000 0.290 16 H C 0.335 175.659 175.328 -0.007 0.000 1.047 16 H CA 0.694 56.679 56.048 -0.104 0.000 1.484 16 H CB 0.318 30.054 29.762 -0.043 0.000 1.501 16 H HN 0.692 nan 8.280 nan 0.000 0.521 17 T N 0.074 114.718 114.554 0.150 0.000 2.907 17 T HA 0.320 4.670 4.350 0.000 0.000 0.290 17 T C 0.074 174.893 174.700 0.198 0.000 1.066 17 T CA -1.355 60.842 62.100 0.161 0.000 1.012 17 T CB 2.218 71.184 68.868 0.163 0.000 1.184 17 T HN 0.293 nan 8.240 nan 0.000 0.522 18 K N 0.426 120.902 120.400 0.126 0.000 2.472 18 K HA 0.249 4.569 4.320 0.000 0.000 0.280 18 K C -0.169 176.472 176.600 0.068 0.000 1.028 18 K CA -0.341 55.996 56.287 0.084 0.000 1.045 18 K CB -0.375 32.149 32.500 0.039 0.000 0.902 18 K HN 0.766 nan 8.250 nan 0.000 0.478 19 C N 5.643 124.978 119.300 0.058 0.000 2.527 19 C HA 0.277 4.737 4.460 0.000 0.000 0.396 19 C C 1.813 176.703 174.990 -0.166 0.000 1.289 19 C CA -0.566 58.435 59.018 -0.028 0.000 2.047 19 C CB 0.080 27.868 27.740 0.081 0.000 2.568 19 C HN 1.085 nan 8.230 nan 0.000 0.573 20 R N 2.010 122.323 120.500 -0.312 0.000 2.096 20 R HA -0.071 4.269 4.340 0.000 0.000 0.235 20 R C 2.438 178.467 176.300 -0.452 0.000 1.127 20 R CA 1.457 57.349 56.100 -0.347 0.000 0.968 20 R CB -0.162 29.924 30.300 -0.357 0.000 0.861 20 R HN 0.771 nan 8.270 nan 0.000 0.440 21 R N -0.132 119.963 120.500 -0.675 0.000 2.066 21 R HA -0.079 4.261 4.340 0.000 0.000 0.224 21 R C 2.274 178.409 176.300 -0.274 0.000 1.122 21 R CA 1.671 57.416 56.100 -0.593 0.000 0.974 21 R CB -0.048 29.738 30.300 -0.858 0.000 0.871 21 R HN 0.449 nan 8.270 nan 0.000 0.435 22 C N -2.560 116.637 119.300 -0.172 0.000 3.019 22 C HA 0.503 4.963 4.460 0.000 0.000 0.295 22 C C 1.464 176.423 174.990 -0.052 0.000 1.256 22 C CA 0.279 59.248 59.018 -0.081 0.000 1.706 22 C CB 0.344 28.069 27.740 -0.025 0.000 2.153 22 C HN 0.659 nan 8.230 nan 0.000 0.618 23 G N 0.817 109.586 108.800 -0.053 0.000 2.176 23 G HA2 -0.153 3.807 3.960 0.000 0.000 0.253 23 G HA3 -0.153 3.807 3.960 0.000 0.000 0.253 23 G C -0.288 174.616 174.900 0.006 0.000 0.979 23 G CA 0.466 45.549 45.100 -0.028 0.000 0.641 23 G HN 0.636 nan 8.290 nan 0.000 0.530 24 E N 0.133 120.351 120.200 0.030 0.000 2.283 24 E HA 0.301 4.651 4.350 0.000 0.000 0.271 24 E C 0.392 177.045 176.600 0.089 0.000 1.031 24 E CA -0.707 55.725 56.400 0.053 0.000 0.868 24 E CB 1.063 30.799 29.700 0.061 0.000 1.094 24 E HN 0.272 nan 8.360 nan 0.000 0.401 25 K N 1.415 121.865 120.400 0.084 0.000 3.006 25 K HA 0.112 4.432 4.320 0.000 0.000 0.265 25 K C -0.283 176.416 176.600 0.163 0.000 1.279 25 K CA 0.133 56.487 56.287 0.112 0.000 1.229 25 K CB -0.274 32.272 32.500 0.076 0.000 1.555 25 K HN 0.197 nan 8.250 nan 0.000 0.300 26 S N 0.423 116.261 115.700 0.230 0.000 2.780 26 S HA 0.018 4.488 4.470 0.000 0.000 0.248 26 S C -0.597 174.283 174.600 0.467 0.000 1.036 26 S CA -0.488 57.916 58.200 0.342 0.000 1.061 26 S CB 0.019 63.345 63.200 0.209 0.000 1.037 26 S HN 0.450 nan 8.310 nan 0.000 0.584 27 Y N 3.620 124.056 120.300 0.227 0.000 2.539 27 Y HA 0.287 4.837 4.550 0.000 0.000 0.352 27 Y C 0.341 176.288 175.900 0.078 0.000 1.004 27 Y CA -0.991 57.215 58.100 0.176 0.000 1.278 27 Y CB -0.345 38.214 38.460 0.165 0.000 1.136 27 Y HN 0.230 nan 8.280 nan 0.000 0.528 28 H N 4.164 122.979 119.070 -0.424 0.000 3.086 28 H HA 0.036 4.592 4.556 0.000 0.000 0.265 28 H C 1.389 176.382 175.328 -0.557 0.000 1.092 28 H CA 0.567 56.283 56.048 -0.554 0.000 1.487 28 H CB 0.830 30.282 29.762 -0.517 0.000 1.514 28 H HN 0.830 nan 8.280 nan 0.000 0.497 29 T N 3.319 117.706 114.554 -0.278 0.000 3.155 29 T HA -0.057 4.293 4.350 0.000 0.000 0.264 29 T C 1.394 176.062 174.700 -0.054 0.000 1.160 29 T CA 1.256 63.277 62.100 -0.132 0.000 1.075 29 T CB -0.013 68.847 68.868 -0.014 0.000 0.921 29 T HN 0.632 nan 8.240 nan 0.000 0.533 30 K N -0.496 119.938 120.400 0.058 0.000 2.350 30 K HA 0.218 4.538 4.320 0.000 0.000 0.196 30 K C 2.104 178.687 176.600 -0.028 0.000 1.084 30 K CA 0.244 56.566 56.287 0.059 0.000 0.967 30 K CB 0.380 32.952 32.500 0.121 0.000 0.950 30 K HN 0.159 nan 8.250 nan 0.000 0.512 31 K N 0.597 120.940 120.400 -0.094 0.000 2.323 31 K HA 0.085 4.405 4.320 0.000 0.000 0.197 31 K C -0.068 176.399 176.600 -0.221 0.000 1.043 31 K CA 0.175 56.325 56.287 -0.229 0.000 0.997 31 K CB 0.466 32.721 32.500 -0.409 0.000 0.807 31 K HN -0.155 nan 8.250 nan 0.000 0.497 32 K N 0.223 120.432 120.400 -0.318 0.000 3.129 32 K HA -0.133 4.187 4.320 0.000 0.000 0.273 32 K C -0.970 175.392 176.600 -0.398 0.000 1.123 32 K CA 0.449 56.482 56.287 -0.424 0.000 0.800 32 K CB -2.388 30.039 32.500 -0.123 0.000 1.238 32 K HN 0.043 nan 8.250 nan 0.000 0.492 33 V N 0.279 119.947 119.914 -0.410 0.000 2.656 33 V HA 0.270 4.390 4.120 0.000 0.000 0.307 33 V C 0.227 176.301 176.094 -0.032 0.000 1.051 33 V CA -1.154 61.059 62.300 -0.145 0.000 0.893 33 V CB 2.380 34.148 31.823 -0.092 0.000 0.999 33 V HN 0.401 nan 8.190 nan 0.000 0.426 34 C N 4.070 123.505 119.300 0.224 0.000 2.415 34 C HA 0.374 4.834 4.460 0.000 0.000 0.369 34 C C 2.019 177.154 174.990 0.241 0.000 1.279 34 C CA 0.330 59.545 59.018 0.328 0.000 1.886 34 C CB 0.475 28.486 27.740 0.451 0.000 2.468 34 C HN 1.113 nan 8.230 nan 0.000 0.553 35 S N 3.382 119.240 115.700 0.263 0.000 2.489 35 S HA -0.088 4.382 4.470 0.000 0.000 0.228 35 S C 1.675 176.389 174.600 0.189 0.000 0.995 35 S CA 1.447 59.784 58.200 0.229 0.000 0.934 35 S CB -0.132 63.226 63.200 0.263 0.000 0.771 35 S HN 0.841 nan 8.310 nan 0.000 0.522 36 S N 0.553 116.360 115.700 0.178 0.000 2.384 36 S HA -0.005 4.465 4.470 0.000 0.000 0.217 36 S C 2.026 176.693 174.600 0.111 0.000 1.041 36 S CA 0.762 59.041 58.200 0.133 0.000 0.948 36 S CB -0.550 62.715 63.200 0.109 0.000 0.872 36 S HN 0.885 nan 8.310 nan 0.000 0.512 37 C N 0.418 119.794 119.300 0.127 0.000 2.926 37 C HA 0.668 5.128 4.460 0.000 0.000 0.272 37 C C 1.792 176.858 174.990 0.126 0.000 1.249 37 C CA 0.290 59.366 59.018 0.097 0.000 1.691 37 C CB -0.600 27.188 27.740 0.080 0.000 1.983 37 C HN 0.862 nan 8.230 nan 0.000 0.615 38 G N 0.387 109.291 108.800 0.173 0.000 2.143 38 G HA2 -0.269 3.691 3.960 0.000 0.000 0.249 38 G HA3 -0.269 3.691 3.960 0.000 0.000 0.249 38 G C -0.189 174.837 174.900 0.211 0.000 0.981 38 G CA 0.226 45.423 45.100 0.162 0.000 0.665 38 G HN 0.766 nan 8.290 nan 0.000 0.528 39 F N 1.560 121.578 119.950 0.113 0.000 2.602 39 F HA 0.418 4.945 4.527 0.000 0.000 0.385 39 F C 1.529 177.440 175.800 0.185 0.000 1.063 39 F CA 1.134 59.211 58.000 0.128 0.000 1.233 39 F CB 0.574 39.650 39.000 0.127 0.000 1.067 39 F HN 1.109 nan 8.300 nan 0.000 0.564 40 G N 4.565 113.131 108.800 -0.391 0.000 2.232 40 G HA2 -0.317 3.643 3.960 0.000 0.000 0.226 40 G HA3 -0.317 3.643 3.960 0.000 0.000 0.226 40 G C 1.152 175.978 174.900 -0.124 0.000 0.996 40 G CA 0.410 45.316 45.100 -0.324 0.000 0.626 40 G HN 0.714 nan 8.290 nan 0.000 0.509 41 K N 0.460 120.838 120.400 -0.038 0.000 2.273 41 K HA 0.365 4.685 4.320 0.000 0.000 0.206 41 K C 1.038 177.645 176.600 0.012 0.000 1.072 41 K CA 1.295 57.579 56.287 -0.004 0.000 0.953 41 K CB 0.340 32.859 32.500 0.031 0.000 1.043 41 K HN 0.736 nan 8.250 nan 0.000 0.477 42 S N -1.333 114.390 115.700 0.039 0.000 2.570 42 S HA 0.585 5.055 4.470 0.000 0.000 0.286 42 S C 0.438 175.078 174.600 0.068 0.000 1.099 42 S CA -0.513 57.712 58.200 0.041 0.000 0.913 42 S CB 1.850 65.069 63.200 0.030 0.000 1.085 42 S HN 0.186 nan 8.310 nan 0.000 0.480 43 A N 1.577 124.428 122.820 0.051 0.000 1.968 43 A HA 0.175 4.495 4.320 0.000 0.000 0.217 43 A C 0.916 178.528 177.584 0.047 0.000 1.169 43 A CA 0.748 52.822 52.037 0.062 0.000 0.638 43 A CB -0.469 18.555 19.000 0.040 0.000 0.812 43 A HN 0.783 nan 8.150 nan 0.000 0.446 44 K N 0.640 121.053 120.400 0.021 0.000 2.185 44 K HA 0.286 4.606 4.320 0.000 0.000 0.271 44 K C -0.235 176.360 176.600 -0.008 0.000 1.013 44 K CA -0.639 55.645 56.287 -0.005 0.000 0.943 44 K CB 0.572 33.055 32.500 -0.028 0.000 0.998 44 K HN 0.154 nan 8.250 nan 0.000 0.468 45 R N 2.269 122.751 120.500 -0.029 0.000 2.491 45 R HA 0.047 4.387 4.340 0.000 0.000 0.283 45 R C 0.252 176.492 176.300 -0.099 0.000 1.072 45 R CA -0.112 55.965 56.100 -0.038 0.000 1.048 45 R CB 0.521 30.793 30.300 -0.047 0.000 0.983 45 R HN 0.573 nan 8.270 nan 0.000 0.450 46 R N 2.311 122.757 120.500 -0.089 0.000 2.404 46 R HA -0.025 4.315 4.340 0.000 0.000 0.315 46 R C -0.904 175.220 176.300 -0.293 0.000 1.032 46 R CA 0.403 56.385 56.100 -0.195 0.000 0.992 46 R CB 0.191 30.464 30.300 -0.044 0.000 0.959 46 R HN 0.581 nan 8.270 nan 0.000 0.428 47 D N 3.275 123.340 120.400 -0.557 0.000 2.859 47 D HA 0.319 4.959 4.640 0.000 0.000 0.223 47 D C -1.890 173.886 176.300 -0.872 0.000 1.218 47 D CA -0.335 53.363 54.000 -0.505 0.000 0.850 47 D CB 0.950 41.568 40.800 -0.303 0.000 1.656 47 D HN 0.423 nan 8.370 nan 0.000 0.484 48 Y N 0.891 120.915 120.300 -0.460 0.000 2.534 48 Y HA 0.276 4.826 4.550 0.000 0.000 0.345 48 Y C 0.931 176.497 175.900 -0.555 0.000 1.031 48 Y CA -0.850 56.852 58.100 -0.664 0.000 1.022 48 Y CB 2.222 39.805 38.460 -1.461 0.000 1.292 48 Y HN 0.288 nan 8.280 nan 0.000 0.459 49 E N 1.814 121.909 120.200 -0.176 0.000 2.347 49 E HA -0.119 4.231 4.350 0.000 0.000 0.196 49 E C 1.410 178.038 176.600 0.047 0.000 1.008 49 E CA 0.846 57.218 56.400 -0.047 0.000 0.852 49 E CB -0.012 29.709 29.700 0.036 0.000 0.783 49 E HN 0.814 nan 8.360 nan 0.000 0.505 50 W N 0.280 121.643 121.300 0.104 0.000 3.180 50 W HA 0.109 4.769 4.660 0.000 0.000 0.254 50 W C 0.738 177.291 176.519 0.057 0.000 1.318 50 W CA -0.174 57.207 57.345 0.059 0.000 1.608 50 W CB -0.402 29.073 29.460 0.024 0.000 1.124 50 W HN 0.018 nan 8.180 nan 0.000 0.694 51 Q N 1.782 121.626 119.800 0.074 0.000 2.482 51 Q HA -0.015 4.325 4.340 0.000 0.000 0.209 51 Q C 0.749 176.802 176.000 0.089 0.000 0.961 51 Q CA 0.816 56.665 55.803 0.076 0.000 0.945 51 Q CB 0.194 28.865 28.738 -0.112 0.000 1.012 51 Q HN 0.209 nan 8.270 nan 0.000 0.515 52 S N -1.260 114.495 115.700 0.092 0.000 2.618 52 S HA 0.454 4.924 4.470 0.000 0.000 0.277 52 S C -0.821 173.832 174.600 0.088 0.000 1.138 52 S CA -1.238 57.004 58.200 0.070 0.000 0.844 52 S CB 1.848 65.069 63.200 0.033 0.000 1.127 52 S HN -0.181 nan 8.310 nan 0.000 0.474 53 K N 0.817 121.257 120.400 0.067 0.000 2.355 53 K HA 0.378 4.698 4.320 0.000 0.000 0.270 53 K C 1.641 178.275 176.600 0.057 0.000 1.003 53 K CA 0.393 56.718 56.287 0.062 0.000 0.957 53 K CB 0.712 33.238 32.500 0.044 0.000 0.939 53 K HN 0.823 nan 8.250 nan 0.000 0.482 54 A N 2.935 125.791 122.820 0.059 0.000 1.915 54 A HA -0.182 4.138 4.320 0.000 0.000 0.220 54 A C 1.605 179.211 177.584 0.038 0.000 1.198 54 A CA 2.345 54.414 52.037 0.053 0.000 0.647 54 A CB -0.727 18.303 19.000 0.050 0.000 0.825 54 A HN 0.764 nan 8.150 nan 0.000 0.456 55 G N -1.088 107.731 108.800 0.031 0.000 3.496 55 G HA2 0.449 4.409 3.960 0.000 0.000 0.273 55 G HA3 0.449 4.409 3.960 0.000 0.000 0.273 55 G C 0.051 174.963 174.900 0.020 0.000 1.279 55 G CA 0.429 45.542 45.100 0.023 0.000 1.041 55 G HN 0.597 nan 8.290 nan 0.000 0.539 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 56.411 56.400 0.018 0.000 0.000 56 E CB 0.000 29.712 29.700 0.020 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000