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 1qvg_1_Z 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 0.590 109.391 108.800 0.001 0.000 2.406 2 G HA2 0.489 4.449 3.960 0.000 0.000 0.251 2 G HA3 0.489 4.449 3.960 0.000 0.000 0.251 2 G C 1.008 175.909 174.900 0.001 0.000 1.271 2 G CA -0.037 45.064 45.100 0.001 0.000 0.859 2 G HN 1.020 nan 8.290 nan 0.000 0.540 3 A N 2.119 124.939 122.820 0.001 0.000 2.235 3 A HA 0.359 4.679 4.320 0.000 0.000 0.208 3 A C 1.754 179.339 177.584 0.002 0.000 1.172 3 A CA 1.248 53.286 52.037 0.001 0.000 0.786 3 A CB -0.265 18.735 19.000 0.001 0.000 0.804 3 A HN 0.885 nan 8.150 nan 0.000 0.479 4 G N -1.122 107.678 108.800 0.001 0.000 3.086 4 G HA2 0.256 4.216 3.960 0.000 0.000 0.159 4 G HA3 0.256 4.216 3.960 0.000 0.000 0.159 4 G C 1.177 176.079 174.900 0.002 0.000 1.654 4 G CA 0.829 45.930 45.100 0.001 0.000 1.078 4 G HN 0.196 nan 8.290 nan 0.000 0.558 5 T N 2.730 117.285 114.554 0.002 0.000 2.594 5 T HA -0.165 4.185 4.350 0.000 0.000 0.266 5 T C 0.022 174.723 174.700 0.002 0.000 1.070 5 T CA 2.301 64.402 62.100 0.002 0.000 1.166 5 T CB -1.270 67.599 68.868 0.002 0.000 0.862 5 T HN 0.411 nan 8.240 nan 0.000 0.436 6 P HA 0.022 nan 4.420 nan 0.000 0.223 6 P C 0.913 178.215 177.300 0.003 0.000 1.144 6 P CA 1.085 64.186 63.100 0.002 0.000 0.783 6 P CB -0.096 31.605 31.700 0.002 0.000 0.771 7 S N -0.830 114.871 115.700 0.003 0.000 2.556 7 S HA 0.085 4.555 4.470 0.000 0.000 0.216 7 S C 1.621 176.223 174.600 0.004 0.000 0.970 7 S CA -0.025 58.177 58.200 0.004 0.000 0.912 7 S CB -0.108 63.094 63.200 0.004 0.000 0.790 7 S HN 0.098 nan 8.310 nan 0.000 0.504 8 Q N 1.027 120.829 119.800 0.004 0.000 2.331 8 Q HA 0.170 4.510 4.340 0.000 0.000 0.203 8 Q C 2.137 178.140 176.000 0.005 0.000 0.944 8 Q CA 0.751 56.557 55.803 0.005 0.000 0.892 8 Q CB -0.831 27.909 28.738 0.004 0.000 0.983 8 Q HN 0.572 nan 8.270 nan 0.000 0.482 9 G N 1.278 110.081 108.800 0.004 0.000 2.432 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 1.317 176.220 174.900 0.005 0.000 1.135 9 G CA 0.383 45.486 45.100 0.004 0.000 0.767 9 G HN 0.308 nan 8.290 nan 0.000 0.550 10 K N 0.342 120.745 120.400 0.005 0.000 2.487 10 K HA 0.073 4.393 4.320 0.000 0.000 0.192 10 K C 0.566 177.170 176.600 0.007 0.000 1.027 10 K CA 0.119 56.409 56.287 0.006 0.000 1.054 10 K CB 0.219 32.722 32.500 0.006 0.000 0.824 10 K HN 0.170 nan 8.250 nan 0.000 0.510 11 K N 2.956 123.360 120.400 0.007 0.000 2.449 11 K HA 0.008 4.328 4.320 0.000 0.000 0.237 11 K C 0.206 176.810 176.600 0.007 0.000 1.265 11 K CA -0.047 56.245 56.287 0.008 0.000 1.193 11 K CB -0.254 32.252 32.500 0.009 0.000 1.515 11 K HN 0.180 nan 8.250 nan 0.000 0.259 12 N N -0.037 118.667 118.700 0.006 0.000 2.338 12 N HA 0.003 4.743 4.740 0.000 0.000 0.251 12 N C -0.659 174.854 175.510 0.005 0.000 1.199 12 N CA -0.388 52.665 53.050 0.006 0.000 0.879 12 N CB 0.627 39.117 38.487 0.005 0.000 1.159 12 N HN -0.104 nan 8.380 nan 0.000 0.514 13 T N 0.100 114.657 114.554 0.004 0.000 2.928 13 T HA 0.390 4.740 4.350 0.000 0.000 0.284 13 T C -0.249 174.446 174.700 -0.009 0.000 1.008 13 T CA -0.013 62.086 62.100 -0.001 0.000 1.057 13 T CB 1.551 70.420 68.868 0.002 0.000 1.018 13 T HN 0.043 nan 8.240 nan 0.000 0.493 14 T N 2.074 116.618 114.554 -0.018 0.000 2.794 14 T HA 0.545 4.895 4.350 0.000 0.000 0.280 14 T C 0.995 175.641 174.700 -0.090 0.000 0.987 14 T CA -0.633 61.448 62.100 -0.032 0.000 0.993 14 T CB 1.312 70.173 68.868 -0.013 0.000 0.939 14 T HN 0.867 nan 8.240 nan 0.000 0.449 15 T N -0.824 113.629 114.554 -0.168 0.000 3.413 15 T HA 0.190 4.540 4.350 0.000 0.000 0.187 15 T C 0.271 174.662 174.700 -0.516 0.000 0.961 15 T CA -0.364 61.448 62.100 -0.480 0.000 1.085 15 T CB -0.193 68.277 68.868 -0.662 0.000 1.345 15 T HN 0.562 nan 8.240 nan 0.000 0.326 16 H N 3.643 122.525 119.070 -0.314 0.000 2.955 16 H HA 0.447 5.003 4.556 0.000 0.000 0.290 16 H C 0.385 175.701 175.328 -0.021 0.000 1.047 16 H CA 0.666 56.632 56.048 -0.136 0.000 1.484 16 H CB 0.335 30.049 29.762 -0.080 0.000 1.501 16 H HN 0.705 nan 8.280 nan 0.000 0.521 17 T N 0.034 114.677 114.554 0.148 0.000 2.910 17 T HA 0.304 4.654 4.350 0.000 0.000 0.287 17 T C 0.161 174.974 174.700 0.188 0.000 1.050 17 T CA -1.358 60.835 62.100 0.155 0.000 1.011 17 T CB 2.042 71.007 68.868 0.162 0.000 1.195 17 T HN 0.300 nan 8.240 nan 0.000 0.540 18 K N 0.487 120.961 120.400 0.123 0.000 2.453 18 K HA 0.209 4.529 4.320 0.000 0.000 0.280 18 K C -0.127 176.518 176.600 0.075 0.000 1.045 18 K CA -0.353 55.984 56.287 0.084 0.000 1.059 18 K CB -0.489 32.035 32.500 0.039 0.000 0.901 18 K HN 0.759 nan 8.250 nan 0.000 0.475 19 C N 6.655 126.000 119.300 0.074 0.000 2.566 19 C HA 0.206 4.666 4.460 0.000 0.000 0.393 19 C C 1.881 176.780 174.990 -0.152 0.000 1.309 19 C CA -0.529 58.489 59.018 -0.001 0.000 1.801 19 C CB -0.445 27.354 27.740 0.100 0.000 2.493 19 C HN 1.117 nan 8.230 nan 0.000 0.575 20 R N 3.683 124.006 120.500 -0.295 0.000 2.139 20 R HA -0.146 4.194 4.340 0.000 0.000 0.243 20 R C 2.318 178.371 176.300 -0.413 0.000 1.145 20 R CA 1.903 57.807 56.100 -0.327 0.000 0.976 20 R CB -0.320 29.759 30.300 -0.368 0.000 0.866 20 R HN 0.883 nan 8.270 nan 0.000 0.449 21 R N 0.056 120.198 120.500 -0.597 0.000 2.066 21 R HA -0.085 4.255 4.340 0.000 0.000 0.224 21 R C 2.127 178.282 176.300 -0.241 0.000 1.122 21 R CA 1.675 57.447 56.100 -0.546 0.000 0.974 21 R CB -0.109 29.716 30.300 -0.792 0.000 0.871 21 R HN 0.501 nan 8.270 nan 0.000 0.435 22 C N -2.247 116.972 119.300 -0.136 0.000 3.392 22 C HA 0.532 4.992 4.460 0.000 0.000 0.301 22 C C 1.389 176.355 174.990 -0.040 0.000 1.354 22 C CA 0.105 59.087 59.018 -0.060 0.000 1.732 22 C CB 0.187 27.925 27.740 -0.004 0.000 2.269 22 C HN 0.665 nan 8.230 nan 0.000 0.673 23 G N 1.059 109.830 108.800 -0.049 0.000 2.184 23 G HA2 -0.184 3.776 3.960 0.000 0.000 0.264 23 G HA3 -0.184 3.776 3.960 0.000 0.000 0.264 23 G C -0.200 174.704 174.900 0.006 0.000 0.975 23 G CA 0.678 45.761 45.100 -0.027 0.000 0.642 23 G HN 0.661 nan 8.290 nan 0.000 0.536 24 E N 0.093 120.311 120.200 0.030 0.000 2.319 24 E HA 0.285 4.635 4.350 0.000 0.000 0.268 24 E C 0.542 177.188 176.600 0.077 0.000 1.050 24 E CA -0.596 55.834 56.400 0.049 0.000 0.878 24 E CB 0.956 30.693 29.700 0.061 0.000 1.066 24 E HN 0.353 nan 8.360 nan 0.000 0.406 25 K N 1.355 121.798 120.400 0.072 0.000 2.502 25 K HA 0.139 4.459 4.320 0.000 0.000 0.244 25 K C -0.403 176.280 176.600 0.138 0.000 1.249 25 K CA 0.129 56.475 56.287 0.098 0.000 1.193 25 K CB -0.261 32.278 32.500 0.066 0.000 1.674 25 K HN 0.166 nan 8.250 nan 0.000 0.302 26 S N 1.279 117.101 115.700 0.203 0.000 2.900 26 S HA 0.018 4.488 4.470 0.000 0.000 0.253 26 S C -0.853 173.991 174.600 0.407 0.000 1.029 26 S CA -0.506 57.870 58.200 0.293 0.000 1.096 26 S CB -0.063 63.258 63.200 0.202 0.000 1.067 26 S HN 0.506 nan 8.310 nan 0.000 0.610 27 Y N 3.578 123.994 120.300 0.193 0.000 2.486 27 Y HA 0.300 4.850 4.550 0.000 0.000 0.348 27 Y C 0.347 176.297 175.900 0.084 0.000 1.000 27 Y CA -1.059 57.141 58.100 0.167 0.000 1.253 27 Y CB -0.242 38.314 38.460 0.161 0.000 1.140 27 Y HN 0.277 nan 8.280 nan 0.000 0.526 28 H N 4.347 123.195 119.070 -0.369 0.000 3.089 28 H HA 0.046 4.602 4.556 0.000 0.000 0.262 28 H C 1.364 176.356 175.328 -0.560 0.000 1.160 28 H CA 0.434 56.164 56.048 -0.530 0.000 1.482 28 H CB 0.825 30.269 29.762 -0.531 0.000 1.511 28 H HN 0.871 nan 8.280 nan 0.000 0.483 29 T N 3.680 118.104 114.554 -0.216 0.000 3.077 29 T HA -0.070 4.280 4.350 0.000 0.000 0.269 29 T C 1.629 176.318 174.700 -0.018 0.000 1.146 29 T CA 1.042 63.078 62.100 -0.107 0.000 1.091 29 T CB -0.088 68.780 68.868 0.000 0.000 0.892 29 T HN 0.548 nan 8.240 nan 0.000 0.533 30 K N 0.409 120.901 120.400 0.152 0.000 2.244 30 K HA 0.185 4.505 4.320 0.000 0.000 0.200 30 K C 2.065 178.594 176.600 -0.118 0.000 1.052 30 K CA 0.583 56.894 56.287 0.041 0.000 0.980 30 K CB 0.106 32.666 32.500 0.099 0.000 0.838 30 K HN 0.338 nan 8.250 nan 0.000 0.481 31 K N 0.778 121.026 120.400 -0.254 0.000 2.323 31 K HA 0.059 4.379 4.320 0.000 0.000 0.197 31 K C -0.152 176.277 176.600 -0.285 0.000 1.043 31 K CA -0.006 56.075 56.287 -0.343 0.000 0.997 31 K CB 0.312 32.498 32.500 -0.522 0.000 0.807 31 K HN -0.154 nan 8.250 nan 0.000 0.497 32 K N 0.583 120.743 120.400 -0.400 0.000 3.150 32 K HA -0.140 4.180 4.320 0.000 0.000 0.267 32 K C -1.072 175.299 176.600 -0.382 0.000 1.028 32 K CA 0.439 56.428 56.287 -0.496 0.000 0.753 32 K CB -2.220 30.203 32.500 -0.127 0.000 1.288 32 K HN 0.056 nan 8.250 nan 0.000 0.473 33 V N -0.172 119.469 119.914 -0.455 0.000 2.891 33 V HA 0.213 4.333 4.120 0.000 0.000 0.304 33 V C -0.144 175.955 176.094 0.009 0.000 1.171 33 V CA -1.191 61.034 62.300 -0.124 0.000 0.943 33 V CB 2.518 34.284 31.823 -0.095 0.000 1.037 33 V HN 0.476 nan 8.190 nan 0.000 0.427 34 C N 3.790 123.245 119.300 0.257 0.000 2.347 34 C HA 0.453 4.913 4.460 0.000 0.000 0.353 34 C C 1.992 177.132 174.990 0.250 0.000 1.273 34 C CA 0.407 59.632 59.018 0.345 0.000 1.861 34 C CB 0.662 28.673 27.740 0.452 0.000 2.420 34 C HN 1.149 nan 8.230 nan 0.000 0.542 35 S N 3.381 119.242 115.700 0.270 0.000 2.522 35 S HA -0.076 4.394 4.470 0.000 0.000 0.227 35 S C 1.566 176.282 174.600 0.193 0.000 0.986 35 S CA 1.403 59.743 58.200 0.234 0.000 0.929 35 S CB -0.085 63.274 63.200 0.265 0.000 0.769 35 S HN 0.824 nan 8.310 nan 0.000 0.529 36 S N 0.452 116.264 115.700 0.187 0.000 2.444 36 S HA 0.038 4.508 4.470 0.000 0.000 0.223 36 S C 1.905 176.587 174.600 0.135 0.000 1.054 36 S CA 0.643 58.930 58.200 0.145 0.000 0.947 36 S CB -0.423 62.847 63.200 0.117 0.000 0.850 36 S HN 0.884 nan 8.310 nan 0.000 0.527 37 C N 0.389 119.780 119.300 0.152 0.000 2.906 37 C HA 0.682 5.142 4.460 0.000 0.000 0.274 37 C C 1.808 176.892 174.990 0.157 0.000 1.257 37 C CA 0.133 59.227 59.018 0.128 0.000 1.695 37 C CB -0.564 27.245 27.740 0.115 0.000 1.958 37 C HN 0.762 nan 8.230 nan 0.000 0.619 38 G N 0.512 109.427 108.800 0.191 0.000 2.184 38 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 38 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 38 G C -0.120 174.893 174.900 0.189 0.000 0.975 38 G CA 0.272 45.474 45.100 0.170 0.000 0.642 38 G HN 0.866 nan 8.290 nan 0.000 0.536 39 F N 1.668 121.687 119.950 0.115 0.000 2.593 39 F HA 0.385 4.912 4.527 0.000 0.000 0.393 39 F C 1.436 177.344 175.800 0.179 0.000 1.037 39 F CA 1.211 59.281 58.000 0.117 0.000 1.195 39 F CB 0.239 39.294 39.000 0.093 0.000 1.034 39 F HN 1.173 nan 8.300 nan 0.000 0.552 40 G N 4.530 113.006 108.800 -0.539 0.000 2.184 40 G HA2 -0.280 3.680 3.960 0.000 0.000 0.206 40 G HA3 -0.280 3.680 3.960 0.000 0.000 0.206 40 G C 0.787 175.585 174.900 -0.169 0.000 0.995 40 G CA 0.338 45.175 45.100 -0.439 0.000 0.651 40 G HN 0.831 nan 8.290 nan 0.000 0.511 41 K N -0.666 119.686 120.400 -0.080 0.000 2.665 41 K HA 0.401 4.721 4.320 0.000 0.000 0.197 41 K C 0.552 177.153 176.600 0.001 0.000 1.463 41 K CA 0.920 57.191 56.287 -0.026 0.000 1.107 41 K CB 0.500 33.007 32.500 0.011 0.000 1.584 41 K HN 0.545 nan 8.250 nan 0.000 0.558 42 S N -0.495 115.220 115.700 0.026 0.000 2.521 42 S HA 0.618 5.088 4.470 0.000 0.000 0.295 42 S C 0.393 175.028 174.600 0.059 0.000 1.098 42 S CA -0.187 58.035 58.200 0.037 0.000 0.999 42 S CB 1.863 65.087 63.200 0.040 0.000 1.034 42 S HN 0.322 nan 8.310 nan 0.000 0.483 43 A N 4.672 127.520 122.820 0.047 0.000 1.897 43 A HA 0.201 4.521 4.320 0.000 0.000 0.215 43 A C 0.868 178.484 177.584 0.055 0.000 1.181 43 A CA 0.858 52.932 52.037 0.062 0.000 0.620 43 A CB -0.468 18.556 19.000 0.041 0.000 0.821 43 A HN 0.803 nan 8.150 nan 0.000 0.443 44 K N 0.492 120.909 120.400 0.028 0.000 2.219 44 K HA 0.271 4.591 4.320 0.000 0.000 0.258 44 K C -0.120 176.487 176.600 0.012 0.000 1.008 44 K CA -0.472 55.819 56.287 0.008 0.000 0.928 44 K CB 0.441 32.931 32.500 -0.016 0.000 0.983 44 K HN 0.155 nan 8.250 nan 0.000 0.484 45 R N 1.998 122.494 120.500 -0.006 0.000 2.490 45 R HA 0.095 4.435 4.340 0.000 0.000 0.280 45 R C 0.164 176.432 176.300 -0.053 0.000 1.077 45 R CA -0.348 55.749 56.100 -0.006 0.000 1.065 45 R CB 0.710 31.001 30.300 -0.015 0.000 1.003 45 R HN 0.595 nan 8.270 nan 0.000 0.470 46 R N 1.600 122.084 120.500 -0.028 0.000 2.522 46 R HA -0.035 4.305 4.340 0.000 0.000 0.284 46 R C -0.916 175.275 176.300 -0.181 0.000 1.032 46 R CA 0.628 56.678 56.100 -0.082 0.000 1.049 46 R CB 0.262 30.601 30.300 0.064 0.000 0.956 46 R HN 0.668 nan 8.270 nan 0.000 0.422 47 D N 2.962 123.095 120.400 -0.445 0.000 2.787 47 D HA 0.229 4.869 4.640 0.000 0.000 0.215 47 D C -1.909 173.894 176.300 -0.828 0.000 1.246 47 D CA -0.400 53.334 54.000 -0.443 0.000 0.798 47 D CB 0.605 41.246 40.800 -0.266 0.000 1.649 47 D HN 0.407 nan 8.370 nan 0.000 0.507 48 Y N 0.953 120.995 120.300 -0.430 0.000 2.576 48 Y HA 0.373 4.923 4.550 0.000 0.000 0.346 48 Y C 1.129 176.689 175.900 -0.566 0.000 1.018 48 Y CA -0.836 56.911 58.100 -0.589 0.000 1.050 48 Y CB 1.894 39.609 38.460 -1.242 0.000 1.280 48 Y HN 0.292 nan 8.280 nan 0.000 0.474 49 E N 1.272 121.346 120.200 -0.210 0.000 2.371 49 E HA -0.069 4.281 4.350 0.000 0.000 0.194 49 E C 1.309 177.897 176.600 -0.021 0.000 1.012 49 E CA 0.493 56.839 56.400 -0.090 0.000 0.860 49 E CB 0.015 29.726 29.700 0.018 0.000 0.811 49 E HN 0.815 nan 8.360 nan 0.000 0.502 50 W N 0.713 122.078 121.300 0.108 0.000 3.077 50 W HA 0.113 4.773 4.660 0.000 0.000 0.245 50 W C 0.731 177.285 176.519 0.058 0.000 1.316 50 W CA -0.131 57.252 57.345 0.064 0.000 1.537 50 W CB -0.529 28.954 29.460 0.039 0.000 1.131 50 W HN 0.028 nan 8.180 nan 0.000 0.695 51 Q N 1.663 121.386 119.800 -0.129 0.000 2.482 51 Q HA -0.011 4.329 4.340 0.000 0.000 0.209 51 Q C 0.660 176.670 176.000 0.015 0.000 0.961 51 Q CA 0.799 56.550 55.803 -0.087 0.000 0.945 51 Q CB 0.225 28.814 28.738 -0.247 0.000 1.012 51 Q HN 0.202 nan 8.270 nan 0.000 0.515 52 S N -1.021 114.702 115.700 0.037 0.000 2.579 52 S HA 0.416 4.886 4.470 0.000 0.000 0.272 52 S C -0.830 173.808 174.600 0.063 0.000 1.141 52 S CA -1.249 56.975 58.200 0.039 0.000 0.843 52 S CB 1.808 65.012 63.200 0.007 0.000 1.122 52 S HN -0.171 nan 8.310 nan 0.000 0.468 53 K N 1.138 121.569 120.400 0.053 0.000 2.524 53 K HA 0.221 4.541 4.320 0.000 0.000 0.279 53 K C 1.694 178.324 176.600 0.050 0.000 0.993 53 K CA 0.567 56.886 56.287 0.053 0.000 1.030 53 K CB 0.306 32.829 32.500 0.038 0.000 0.891 53 K HN 0.853 nan 8.250 nan 0.000 0.488 54 A N 3.442 126.296 122.820 0.057 0.000 1.915 54 A HA -0.189 4.131 4.320 0.000 0.000 0.220 54 A C 1.728 179.333 177.584 0.035 0.000 1.198 54 A CA 2.342 54.410 52.037 0.052 0.000 0.647 54 A CB -0.738 18.292 19.000 0.051 0.000 0.825 54 A HN 0.775 nan 8.150 nan 0.000 0.456 55 G N -1.128 107.689 108.800 0.029 0.000 3.379 55 G HA2 0.404 4.364 3.960 0.000 0.000 0.253 55 G HA3 0.404 4.364 3.960 0.000 0.000 0.253 55 G C 0.127 175.037 174.900 0.016 0.000 1.262 55 G CA 0.631 45.743 45.100 0.021 0.000 0.959 55 G HN 0.688 nan 8.290 nan 0.000 0.524 56 E N 0.000 120.210 120.200 0.017 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.407 56.400 0.011 0.000 0.000 56 E CB 0.000 29.708 29.700 0.013 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000