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 3cce_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 0.698 109.499 108.800 0.001 0.000 2.441 2 G HA2 0.466 4.426 3.960 0.000 0.000 0.243 2 G HA3 0.466 4.426 3.960 0.000 0.000 0.243 2 G C 1.059 175.959 174.900 0.001 0.000 1.281 2 G CA -0.022 45.079 45.100 0.001 0.000 0.854 2 G HN 1.031 nan 8.290 nan 0.000 0.560 3 A N 1.943 124.763 122.820 0.001 0.000 2.167 3 A HA 0.327 4.647 4.320 0.000 0.000 0.214 3 A C 1.880 179.465 177.584 0.002 0.000 1.151 3 A CA 1.444 53.483 52.037 0.002 0.000 0.735 3 A CB -0.304 18.697 19.000 0.001 0.000 0.802 3 A HN 0.897 nan 8.150 nan 0.000 0.467 4 G N -0.953 107.848 108.800 0.002 0.000 3.224 4 G HA2 0.197 4.157 3.960 0.000 0.000 0.161 4 G HA3 0.197 4.157 3.960 0.000 0.000 0.161 4 G C 1.227 176.128 174.900 0.003 0.000 1.872 4 G CA 0.921 46.022 45.100 0.002 0.000 1.012 4 G HN 0.216 nan 8.290 nan 0.000 0.504 5 T N 2.627 117.183 114.554 0.002 0.000 2.685 5 T HA -0.105 4.245 4.350 0.000 0.000 0.268 5 T C -0.011 174.691 174.700 0.003 0.000 1.034 5 T CA 1.935 64.037 62.100 0.003 0.000 1.149 5 T CB -1.016 67.853 68.868 0.002 0.000 0.860 5 T HN 0.357 nan 8.240 nan 0.000 0.449 6 P HA 0.106 nan 4.420 nan 0.000 0.226 6 P C 1.035 178.337 177.300 0.003 0.000 1.153 6 P CA 0.888 63.989 63.100 0.002 0.000 0.777 6 P CB 0.010 31.711 31.700 0.002 0.000 0.794 7 S N -0.547 115.155 115.700 0.003 0.000 2.535 7 S HA 0.048 4.518 4.470 0.000 0.000 0.214 7 S C 1.699 176.302 174.600 0.005 0.000 0.980 7 S CA 0.136 58.338 58.200 0.004 0.000 0.907 7 S CB -0.175 63.027 63.200 0.004 0.000 0.790 7 S HN 0.119 nan 8.310 nan 0.000 0.510 8 Q N 0.905 120.708 119.800 0.005 0.000 2.311 8 Q HA 0.133 4.473 4.340 0.000 0.000 0.203 8 Q C 2.173 178.176 176.000 0.005 0.000 0.954 8 Q CA 0.842 56.648 55.803 0.005 0.000 0.885 8 Q CB -0.943 27.798 28.738 0.005 0.000 0.963 8 Q HN 0.561 nan 8.270 nan 0.000 0.471 9 G N 1.442 110.244 108.800 0.004 0.000 2.462 9 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 9 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 9 G C 1.278 176.180 174.900 0.004 0.000 1.121 9 G CA 0.482 45.584 45.100 0.004 0.000 0.758 9 G HN 0.319 nan 8.290 nan 0.000 0.559 10 K N 0.220 120.622 120.400 0.004 0.000 2.444 10 K HA 0.105 4.425 4.320 0.000 0.000 0.193 10 K C 0.359 176.961 176.600 0.004 0.000 1.024 10 K CA 0.016 56.305 56.287 0.004 0.000 1.077 10 K CB 0.345 32.847 32.500 0.004 0.000 0.833 10 K HN 0.160 nan 8.250 nan 0.000 0.517 11 K N 2.692 123.095 120.400 0.005 0.000 2.111 11 K HA 0.030 4.350 4.320 0.000 0.000 0.249 11 K C 0.107 176.709 176.600 0.003 0.000 1.157 11 K CA -0.061 56.229 56.287 0.005 0.000 1.048 11 K CB -0.071 32.434 32.500 0.008 0.000 1.498 11 K HN 0.172 nan 8.250 nan 0.000 0.344 12 N N -0.324 118.377 118.700 0.001 0.000 2.240 12 N HA -0.012 4.728 4.740 0.000 0.000 0.240 12 N C -0.536 174.970 175.510 -0.005 0.000 1.277 12 N CA -0.419 52.631 53.050 -0.001 0.000 0.873 12 N CB 0.580 39.067 38.487 0.000 0.000 1.222 12 N HN -0.063 nan 8.380 nan 0.000 0.507 13 T N 0.495 115.043 114.554 -0.009 0.000 2.889 13 T HA 0.321 4.671 4.350 0.000 0.000 0.291 13 T C -0.301 174.377 174.700 -0.035 0.000 0.995 13 T CA 0.243 62.331 62.100 -0.020 0.000 1.092 13 T CB 1.325 70.182 68.868 -0.020 0.000 0.954 13 T HN 0.027 nan 8.240 nan 0.000 0.506 14 T N 2.367 116.891 114.554 -0.049 0.000 2.771 14 T HA 0.490 4.840 4.350 0.000 0.000 0.281 14 T C 1.107 175.715 174.700 -0.154 0.000 0.982 14 T CA -0.607 61.452 62.100 -0.069 0.000 0.978 14 T CB 1.069 69.914 68.868 -0.038 0.000 0.930 14 T HN 0.868 nan 8.240 nan 0.000 0.447 15 T N -0.130 114.273 114.554 -0.251 0.000 3.463 15 T HA 0.203 4.553 4.350 0.000 0.000 0.203 15 T C 0.431 174.792 174.700 -0.565 0.000 0.955 15 T CA -0.306 61.421 62.100 -0.622 0.000 1.230 15 T CB -0.261 68.031 68.868 -0.961 0.000 1.392 15 T HN 0.544 nan 8.240 nan 0.000 0.361 16 H N 3.657 122.567 119.070 -0.266 0.000 2.975 16 H HA 0.427 4.983 4.556 0.000 0.000 0.303 16 H C 0.372 175.699 175.328 -0.003 0.000 1.023 16 H CA 0.855 56.850 56.048 -0.088 0.000 1.473 16 H CB 0.173 29.919 29.762 -0.026 0.000 1.498 16 H HN 0.717 nan 8.280 nan 0.000 0.549 17 T N -0.077 114.577 114.554 0.165 0.000 2.901 17 T HA 0.310 4.660 4.350 0.000 0.000 0.293 17 T C 0.034 174.853 174.700 0.199 0.000 1.084 17 T CA -1.387 60.811 62.100 0.163 0.000 1.008 17 T CB 2.253 71.214 68.868 0.156 0.000 1.170 17 T HN 0.296 nan 8.240 nan 0.000 0.509 18 K N 0.706 121.181 120.400 0.125 0.000 2.466 18 K HA 0.154 4.474 4.320 0.000 0.000 0.278 18 K C -0.066 176.579 176.600 0.076 0.000 1.048 18 K CA -0.245 56.093 56.287 0.086 0.000 1.088 18 K CB -0.590 31.935 32.500 0.042 0.000 0.884 18 K HN 0.778 nan 8.250 nan 0.000 0.478 19 C N 6.376 125.718 119.300 0.070 0.000 2.499 19 C HA 0.253 4.713 4.460 0.000 0.000 0.386 19 C C 1.857 176.757 174.990 -0.151 0.000 1.293 19 C CA -0.564 58.450 59.018 -0.007 0.000 1.884 19 C CB -0.209 27.593 27.740 0.104 0.000 2.509 19 C HN 1.109 nan 8.230 nan 0.000 0.566 20 R N 2.647 122.972 120.500 -0.292 0.000 2.103 20 R HA -0.140 4.200 4.340 0.000 0.000 0.242 20 R C 2.472 178.514 176.300 -0.429 0.000 1.142 20 R CA 1.959 57.856 56.100 -0.337 0.000 0.960 20 R CB -0.231 29.841 30.300 -0.380 0.000 0.858 20 R HN 0.834 nan 8.270 nan 0.000 0.439 21 R N 0.054 120.163 120.500 -0.652 0.000 2.055 21 R HA -0.101 4.239 4.340 0.000 0.000 0.226 21 R C 2.427 178.575 176.300 -0.254 0.000 1.135 21 R CA 1.794 57.553 56.100 -0.568 0.000 0.959 21 R CB -0.198 29.614 30.300 -0.813 0.000 0.854 21 R HN 0.501 nan 8.270 nan 0.000 0.431 22 C N -2.280 116.933 119.300 -0.147 0.000 2.674 22 C HA 0.492 4.952 4.460 0.000 0.000 0.276 22 C C 1.498 176.462 174.990 -0.045 0.000 1.300 22 C CA 0.179 59.159 59.018 -0.063 0.000 1.732 22 C CB 0.068 27.806 27.740 -0.003 0.000 2.076 22 C HN 0.683 nan 8.230 nan 0.000 0.548 23 G N 0.750 109.522 108.800 -0.047 0.000 2.141 23 G HA2 -0.140 3.820 3.960 0.000 0.000 0.242 23 G HA3 -0.140 3.820 3.960 0.000 0.000 0.242 23 G C -0.357 174.546 174.900 0.006 0.000 0.982 23 G CA 0.389 45.472 45.100 -0.027 0.000 0.662 23 G HN 0.630 nan 8.290 nan 0.000 0.527 24 E N -0.064 120.155 120.200 0.031 0.000 2.222 24 E HA 0.333 4.683 4.350 0.000 0.000 0.272 24 E C 0.249 176.900 176.600 0.086 0.000 0.982 24 E CA -0.829 55.602 56.400 0.052 0.000 0.842 24 E CB 1.243 30.979 29.700 0.059 0.000 1.144 24 E HN 0.264 nan 8.360 nan 0.000 0.397 25 K N 1.461 121.909 120.400 0.080 0.000 2.480 25 K HA 0.148 4.468 4.320 0.000 0.000 0.241 25 K C -0.375 176.315 176.600 0.149 0.000 1.261 25 K CA 0.164 56.518 56.287 0.111 0.000 1.193 25 K CB -0.283 32.264 32.500 0.079 0.000 1.598 25 K HN 0.186 nan 8.250 nan 0.000 0.278 26 S N 1.110 116.938 115.700 0.213 0.000 2.847 26 S HA 0.015 4.486 4.470 0.000 0.000 0.254 26 S C -0.775 174.100 174.600 0.457 0.000 1.039 26 S CA -0.483 57.885 58.200 0.279 0.000 1.113 26 S CB -0.002 63.295 63.200 0.161 0.000 1.092 26 S HN 0.497 nan 8.310 nan 0.000 0.620 27 Y N 3.608 124.054 120.300 0.245 0.000 2.585 27 Y HA 0.324 4.874 4.550 0.000 0.000 0.354 27 Y C 0.325 176.307 175.900 0.137 0.000 1.024 27 Y CA -1.122 57.103 58.100 0.208 0.000 1.321 27 Y CB -0.380 38.190 38.460 0.182 0.000 1.151 27 Y HN 0.256 nan 8.280 nan 0.000 0.525 28 H N 4.109 122.984 119.070 -0.325 0.000 3.086 28 H HA 0.026 4.582 4.556 0.000 0.000 0.265 28 H C 1.430 176.438 175.328 -0.535 0.000 1.092 28 H CA 0.684 56.434 56.048 -0.496 0.000 1.487 28 H CB 0.875 30.356 29.762 -0.468 0.000 1.514 28 H HN 0.844 nan 8.280 nan 0.000 0.497 29 T N 3.250 117.639 114.554 -0.277 0.000 3.098 29 T HA -0.074 4.276 4.350 0.000 0.000 0.266 29 T C 1.522 176.191 174.700 -0.051 0.000 1.145 29 T CA 1.306 63.322 62.100 -0.141 0.000 1.092 29 T CB 0.010 68.861 68.868 -0.028 0.000 0.908 29 T HN 0.628 nan 8.240 nan 0.000 0.526 30 K N -0.295 120.163 120.400 0.097 0.000 2.308 30 K HA 0.183 4.503 4.320 0.000 0.000 0.197 30 K C 2.117 178.710 176.600 -0.012 0.000 1.049 30 K CA 0.437 56.775 56.287 0.086 0.000 0.991 30 K CB 0.315 32.904 32.500 0.148 0.000 0.836 30 K HN 0.218 nan 8.250 nan 0.000 0.500 31 K N 0.486 120.841 120.400 -0.076 0.000 2.352 31 K HA 0.089 4.409 4.320 0.000 0.000 0.194 31 K C -0.162 176.303 176.600 -0.225 0.000 1.038 31 K CA 0.090 56.235 56.287 -0.237 0.000 1.023 31 K CB 0.505 32.748 32.500 -0.429 0.000 0.840 31 K HN -0.164 nan 8.250 nan 0.000 0.519 32 K N 0.529 120.734 120.400 -0.327 0.000 3.096 32 K HA -0.134 4.186 4.320 0.000 0.000 0.266 32 K C -1.017 175.357 176.600 -0.376 0.000 1.043 32 K CA 0.434 56.467 56.287 -0.423 0.000 0.758 32 K CB -2.335 30.099 32.500 -0.110 0.000 1.260 32 K HN 0.053 nan 8.250 nan 0.000 0.481 33 V N -0.056 119.591 119.914 -0.446 0.000 2.808 33 V HA 0.244 4.364 4.120 0.000 0.000 0.308 33 V C 0.036 176.132 176.094 0.002 0.000 1.099 33 V CA -1.185 61.033 62.300 -0.137 0.000 0.920 33 V CB 2.517 34.286 31.823 -0.089 0.000 1.014 33 V HN 0.441 nan 8.190 nan 0.000 0.425 34 C N 3.778 123.238 119.300 0.266 0.000 2.415 34 C HA 0.416 4.876 4.460 0.000 0.000 0.369 34 C C 1.991 177.132 174.990 0.250 0.000 1.279 34 C CA 0.383 59.619 59.018 0.364 0.000 1.886 34 C CB 0.495 28.515 27.740 0.467 0.000 2.468 34 C HN 1.130 nan 8.230 nan 0.000 0.553 35 S N 3.369 119.224 115.700 0.259 0.000 2.489 35 S HA -0.088 4.382 4.470 0.000 0.000 0.228 35 S C 1.708 176.414 174.600 0.175 0.000 0.995 35 S CA 1.398 59.724 58.200 0.209 0.000 0.934 35 S CB -0.150 63.174 63.200 0.208 0.000 0.771 35 S HN 0.845 nan 8.310 nan 0.000 0.522 36 S N 0.761 116.563 115.700 0.169 0.000 2.355 36 S HA -0.022 4.448 4.470 0.000 0.000 0.216 36 S C 1.994 176.666 174.600 0.120 0.000 1.037 36 S CA 0.853 59.131 58.200 0.131 0.000 0.955 36 S CB -0.608 62.656 63.200 0.106 0.000 0.877 36 S HN 0.894 nan 8.310 nan 0.000 0.488 37 C N 0.461 119.842 119.300 0.135 0.000 2.906 37 C HA 0.691 5.151 4.460 0.000 0.000 0.274 37 C C 1.773 176.844 174.990 0.136 0.000 1.257 37 C CA 0.139 59.221 59.018 0.107 0.000 1.695 37 C CB -0.667 27.128 27.740 0.090 0.000 1.958 37 C HN 0.865 nan 8.230 nan 0.000 0.619 38 G N 0.609 109.515 108.800 0.177 0.000 2.148 38 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 38 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 38 G C -0.151 174.870 174.900 0.202 0.000 0.981 38 G CA 0.301 45.500 45.100 0.164 0.000 0.670 38 G HN 0.855 nan 8.290 nan 0.000 0.528 39 F N 1.385 121.406 119.950 0.118 0.000 2.608 39 F HA 0.412 4.939 4.527 0.000 0.000 0.380 39 F C 1.530 177.443 175.800 0.189 0.000 1.083 39 F CA 1.144 59.217 58.000 0.122 0.000 1.266 39 F CB 0.640 39.700 39.000 0.100 0.000 1.076 39 F HN 1.133 nan 8.300 nan 0.000 0.574 40 G N 4.588 113.060 108.800 -0.546 0.000 2.258 40 G HA2 -0.344 3.616 3.960 0.000 0.000 0.233 40 G HA3 -0.344 3.616 3.960 0.000 0.000 0.233 40 G C 1.160 175.966 174.900 -0.156 0.000 1.006 40 G CA 0.476 45.319 45.100 -0.430 0.000 0.620 40 G HN 0.775 nan 8.290 nan 0.000 0.511 41 K N 0.461 120.828 120.400 -0.055 0.000 2.286 41 K HA 0.393 4.713 4.320 0.000 0.000 0.203 41 K C 1.029 177.635 176.600 0.010 0.000 1.078 41 K CA 1.353 57.634 56.287 -0.009 0.000 0.957 41 K CB 0.338 32.856 32.500 0.029 0.000 1.018 41 K HN 0.854 nan 8.250 nan 0.000 0.484 42 S N -1.493 114.229 115.700 0.037 0.000 2.546 42 S HA 0.556 5.026 4.470 0.000 0.000 0.274 42 S C 0.468 175.108 174.600 0.065 0.000 1.121 42 S CA -0.398 57.826 58.200 0.041 0.000 0.887 42 S CB 1.804 65.024 63.200 0.033 0.000 1.094 42 S HN 0.181 nan 8.310 nan 0.000 0.474 43 A N 2.296 125.147 122.820 0.052 0.000 1.933 43 A HA 0.123 4.443 4.320 0.000 0.000 0.218 43 A C 1.003 178.616 177.584 0.048 0.000 1.175 43 A CA 0.929 53.003 52.037 0.062 0.000 0.628 43 A CB -0.606 18.418 19.000 0.041 0.000 0.814 43 A HN 0.809 nan 8.150 nan 0.000 0.444 44 K N 0.491 120.905 120.400 0.023 0.000 2.202 44 K HA 0.262 4.582 4.320 0.000 0.000 0.264 44 K C -0.270 176.328 176.600 -0.003 0.000 1.010 44 K CA -0.678 55.608 56.287 -0.002 0.000 0.940 44 K CB 0.465 32.951 32.500 -0.024 0.000 0.983 44 K HN 0.140 nan 8.250 nan 0.000 0.475 45 R N 2.295 122.780 120.500 -0.025 0.000 2.491 45 R HA 0.042 4.382 4.340 0.000 0.000 0.283 45 R C 0.277 176.523 176.300 -0.090 0.000 1.072 45 R CA -0.052 56.028 56.100 -0.033 0.000 1.048 45 R CB 0.309 30.582 30.300 -0.045 0.000 0.983 45 R HN 0.589 nan 8.270 nan 0.000 0.450 46 R N 1.949 122.408 120.500 -0.069 0.000 2.484 46 R HA -0.036 4.304 4.340 0.000 0.000 0.293 46 R C -0.870 175.266 176.300 -0.272 0.000 1.023 46 R CA 0.606 56.614 56.100 -0.152 0.000 1.037 46 R CB 0.259 30.563 30.300 0.007 0.000 0.951 46 R HN 0.548 nan 8.270 nan 0.000 0.418 47 D N 3.050 123.094 120.400 -0.593 0.000 2.836 47 D HA 0.267 4.907 4.640 0.000 0.000 0.215 47 D C -1.942 173.774 176.300 -0.973 0.000 1.255 47 D CA -0.316 53.349 54.000 -0.558 0.000 0.822 47 D CB 0.721 41.323 40.800 -0.329 0.000 1.656 47 D HN 0.410 nan 8.370 nan 0.000 0.511 48 Y N 1.055 121.062 120.300 -0.489 0.000 2.524 48 Y HA 0.302 4.852 4.550 0.000 0.000 0.347 48 Y C 1.163 176.683 175.900 -0.633 0.000 1.005 48 Y CA -0.848 56.828 58.100 -0.706 0.000 1.025 48 Y CB 2.060 39.627 38.460 -1.487 0.000 1.275 48 Y HN 0.232 nan 8.280 nan 0.000 0.460 49 E N 1.819 121.872 120.200 -0.245 0.000 2.268 49 E HA -0.132 4.218 4.350 0.000 0.000 0.195 49 E C 1.601 178.189 176.600 -0.020 0.000 0.995 49 E CA 0.970 57.310 56.400 -0.100 0.000 0.836 49 E CB -0.065 29.640 29.700 0.008 0.000 0.763 49 E HN 0.847 nan 8.360 nan 0.000 0.491 50 W N 0.708 122.071 121.300 0.105 0.000 2.825 50 W HA 0.013 4.673 4.660 0.000 0.000 0.243 50 W C 0.789 177.343 176.519 0.059 0.000 1.293 50 W CA -0.009 57.374 57.345 0.062 0.000 1.403 50 W CB -0.600 28.880 29.460 0.033 0.000 1.134 50 W HN 0.050 nan 8.180 nan 0.000 0.666 51 Q N 1.743 121.533 119.800 -0.017 0.000 2.515 51 Q HA -0.037 4.303 4.340 0.000 0.000 0.212 51 Q C 0.743 176.785 176.000 0.070 0.000 0.970 51 Q CA 0.958 56.775 55.803 0.024 0.000 0.941 51 Q CB 0.011 28.646 28.738 -0.172 0.000 0.998 51 Q HN 0.252 nan 8.270 nan 0.000 0.518 52 S N -1.349 114.400 115.700 0.081 0.000 2.596 52 S HA 0.408 4.878 4.470 0.000 0.000 0.270 52 S C -0.947 173.702 174.600 0.081 0.000 1.155 52 S CA -1.259 56.979 58.200 0.063 0.000 0.827 52 S CB 1.694 64.909 63.200 0.024 0.000 1.130 52 S HN -0.178 nan 8.310 nan 0.000 0.467 53 K N 1.127 121.564 120.400 0.062 0.000 2.448 53 K HA 0.307 4.627 4.320 0.000 0.000 0.278 53 K C 1.683 178.314 176.600 0.052 0.000 1.009 53 K CA 0.512 56.834 56.287 0.058 0.000 0.995 53 K CB 0.529 33.054 32.500 0.042 0.000 0.917 53 K HN 0.846 nan 8.250 nan 0.000 0.481 54 A N 3.341 126.196 122.820 0.058 0.000 1.940 54 A HA -0.188 4.133 4.320 0.000 0.000 0.221 54 A C 1.605 179.210 177.584 0.035 0.000 1.190 54 A CA 2.324 54.392 52.037 0.051 0.000 0.647 54 A CB -0.634 18.396 19.000 0.050 0.000 0.821 54 A HN 0.757 nan 8.150 nan 0.000 0.457 55 G N -1.103 107.714 108.800 0.029 0.000 3.562 55 G HA2 0.452 4.412 3.960 0.000 0.000 0.279 55 G HA3 0.452 4.412 3.960 0.000 0.000 0.279 55 G C 0.034 174.944 174.900 0.017 0.000 1.314 55 G CA 0.455 45.567 45.100 0.021 0.000 1.189 55 G HN 0.599 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 0.016 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000