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 3cc7_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 0.615 109.415 108.800 0.001 0.000 2.441 2 G HA2 0.477 4.437 3.960 0.000 0.000 0.243 2 G HA3 0.477 4.437 3.960 0.000 0.000 0.243 2 G C 1.056 175.957 174.900 0.001 0.000 1.281 2 G CA -0.049 45.051 45.100 0.001 0.000 0.854 2 G HN 1.037 nan 8.290 nan 0.000 0.560 3 A N 2.091 124.912 122.820 0.001 0.000 2.168 3 A HA 0.301 4.621 4.320 0.000 0.000 0.215 3 A C 1.883 179.469 177.584 0.002 0.000 1.152 3 A CA 1.443 53.481 52.037 0.002 0.000 0.716 3 A CB -0.341 18.660 19.000 0.001 0.000 0.794 3 A HN 0.895 nan 8.150 nan 0.000 0.465 4 G N -0.936 107.865 108.800 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 1.229 176.131 174.900 0.003 0.000 1.786 4 G CA 0.903 46.005 45.100 0.002 0.000 1.055 4 G HN 0.231 nan 8.290 nan 0.000 0.528 5 T N 2.658 117.213 114.554 0.002 0.000 2.653 5 T HA -0.121 4.229 4.350 0.000 0.000 0.268 5 T C 0.089 174.791 174.700 0.003 0.000 1.035 5 T CA 2.041 64.143 62.100 0.003 0.000 1.154 5 T CB -1.142 67.728 68.868 0.002 0.000 0.862 5 T HN 0.369 nan 8.240 nan 0.000 0.441 6 P HA 0.020 nan 4.420 nan 0.000 0.218 6 P C 1.290 178.592 177.300 0.003 0.000 1.148 6 P CA 1.078 64.180 63.100 0.002 0.000 0.822 6 P CB -0.112 31.589 31.700 0.002 0.000 0.784 7 S N -0.457 115.245 115.700 0.003 0.000 2.603 7 S HA 0.004 4.474 4.470 0.000 0.000 0.220 7 S C 1.780 176.383 174.600 0.005 0.000 0.967 7 S CA 0.395 58.597 58.200 0.004 0.000 0.920 7 S CB -0.357 62.846 63.200 0.004 0.000 0.773 7 S HN 0.166 nan 8.310 nan 0.000 0.529 8 Q N 0.803 120.606 119.800 0.005 0.000 2.245 8 Q HA 0.118 4.458 4.340 0.000 0.000 0.201 8 Q C 2.217 178.220 176.000 0.005 0.000 0.955 8 Q CA 0.915 56.721 55.803 0.005 0.000 0.870 8 Q CB -0.946 27.795 28.738 0.005 0.000 0.945 8 Q HN 0.568 nan 8.270 nan 0.000 0.461 9 G N 1.148 109.951 108.800 0.004 0.000 2.535 9 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 9 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 9 G C 1.320 176.223 174.900 0.004 0.000 1.122 9 G CA 0.312 45.414 45.100 0.004 0.000 0.769 9 G HN 0.291 nan 8.290 nan 0.000 0.549 10 K N 0.132 120.535 120.400 0.004 0.000 2.426 10 K HA 0.079 4.399 4.320 0.000 0.000 0.193 10 K C 0.524 177.126 176.600 0.004 0.000 1.028 10 K CA 0.051 56.340 56.287 0.004 0.000 1.047 10 K CB 0.280 32.782 32.500 0.004 0.000 0.821 10 K HN 0.154 nan 8.250 nan 0.000 0.513 11 K N 3.028 123.431 120.400 0.005 0.000 2.081 11 K HA 0.004 4.324 4.320 0.000 0.000 0.230 11 K C 0.151 176.754 176.600 0.004 0.000 1.199 11 K CA -0.002 56.288 56.287 0.006 0.000 1.130 11 K CB -0.224 32.281 32.500 0.008 0.000 1.386 11 K HN 0.171 nan 8.250 nan 0.000 0.280 12 N N -0.004 118.698 118.700 0.002 0.000 2.365 12 N HA 0.001 4.741 4.740 0.000 0.000 0.257 12 N C -0.725 174.784 175.510 -0.002 0.000 1.287 12 N CA -0.439 52.612 53.050 0.001 0.000 0.882 12 N CB 0.652 39.141 38.487 0.002 0.000 1.250 12 N HN -0.069 nan 8.380 nan 0.000 0.507 13 T N 0.222 114.773 114.554 -0.006 0.000 2.907 13 T HA 0.374 4.724 4.350 0.000 0.000 0.284 13 T C -0.301 174.382 174.700 -0.028 0.000 1.004 13 T CA 0.025 62.116 62.100 -0.014 0.000 1.063 13 T CB 1.489 70.349 68.868 -0.014 0.000 0.992 13 T HN 0.036 nan 8.240 nan 0.000 0.483 14 T N 2.448 116.979 114.554 -0.038 0.000 2.749 14 T HA 0.465 4.815 4.350 0.000 0.000 0.287 14 T C 1.156 175.778 174.700 -0.130 0.000 0.970 14 T CA -0.608 61.458 62.100 -0.057 0.000 0.980 14 T CB 1.047 69.897 68.868 -0.030 0.000 0.924 14 T HN 0.858 nan 8.240 nan 0.000 0.456 15 T N -0.326 114.092 114.554 -0.226 0.000 3.463 15 T HA 0.184 4.534 4.350 0.000 0.000 0.203 15 T C 0.457 174.813 174.700 -0.574 0.000 0.955 15 T CA -0.281 61.473 62.100 -0.576 0.000 1.230 15 T CB -0.217 68.129 68.868 -0.870 0.000 1.392 15 T HN 0.545 nan 8.240 nan 0.000 0.361 16 H N 3.486 122.384 119.070 -0.287 0.000 2.848 16 H HA 0.472 5.028 4.556 0.000 0.000 0.317 16 H C 0.325 175.644 175.328 -0.015 0.000 1.046 16 H CA 0.762 56.740 56.048 -0.117 0.000 1.470 16 H CB 0.396 30.124 29.762 -0.057 0.000 1.483 16 H HN 0.710 nan 8.280 nan 0.000 0.548 17 T N -0.150 114.500 114.554 0.161 0.000 2.887 17 T HA 0.315 4.665 4.350 0.000 0.000 0.292 17 T C -0.002 174.818 174.700 0.200 0.000 1.087 17 T CA -1.364 60.833 62.100 0.161 0.000 1.009 17 T CB 2.241 71.205 68.868 0.160 0.000 1.203 17 T HN 0.334 nan 8.240 nan 0.000 0.518 18 K N 0.448 120.926 120.400 0.130 0.000 2.491 18 K HA 0.205 4.525 4.320 0.000 0.000 0.279 18 K C -0.066 176.587 176.600 0.087 0.000 1.026 18 K CA -0.322 56.020 56.287 0.091 0.000 1.070 18 K CB -0.321 32.206 32.500 0.045 0.000 0.887 18 K HN 0.768 nan 8.250 nan 0.000 0.481 19 C N 6.059 125.403 119.300 0.074 0.000 2.514 19 C HA 0.256 4.716 4.460 0.000 0.000 0.392 19 C C 1.847 176.746 174.990 -0.152 0.000 1.294 19 C CA -0.583 58.432 59.018 -0.005 0.000 1.957 19 C CB -0.009 27.791 27.740 0.101 0.000 2.541 19 C HN 1.109 nan 8.230 nan 0.000 0.569 20 R N 2.766 123.096 120.500 -0.283 0.000 2.105 20 R HA -0.111 4.229 4.340 0.000 0.000 0.239 20 R C 2.389 178.427 176.300 -0.436 0.000 1.135 20 R CA 1.682 57.596 56.100 -0.309 0.000 0.967 20 R CB -0.220 29.913 30.300 -0.279 0.000 0.861 20 R HN 0.839 nan 8.270 nan 0.000 0.442 21 R N -0.109 119.983 120.500 -0.680 0.000 2.075 21 R HA -0.072 4.268 4.340 0.000 0.000 0.220 21 R C 2.286 178.409 176.300 -0.294 0.000 1.118 21 R CA 1.579 57.298 56.100 -0.635 0.000 0.986 21 R CB -0.115 29.589 30.300 -0.993 0.000 0.884 21 R HN 0.465 nan 8.270 nan 0.000 0.439 22 C N -2.087 117.103 119.300 -0.183 0.000 3.019 22 C HA 0.504 4.964 4.460 0.000 0.000 0.295 22 C C 1.522 176.478 174.990 -0.056 0.000 1.256 22 C CA 0.259 59.225 59.018 -0.087 0.000 1.706 22 C CB 0.254 27.977 27.740 -0.028 0.000 2.153 22 C HN 0.678 nan 8.230 nan 0.000 0.618 23 G N 0.704 109.470 108.800 -0.057 0.000 2.199 23 G HA2 -0.172 3.788 3.960 0.000 0.000 0.254 23 G HA3 -0.172 3.788 3.960 0.000 0.000 0.254 23 G C -0.237 174.665 174.900 0.003 0.000 0.982 23 G CA 0.504 45.585 45.100 -0.031 0.000 0.632 23 G HN 0.637 nan 8.290 nan 0.000 0.529 24 E N 0.403 120.617 120.200 0.023 0.000 2.331 24 E HA 0.262 4.612 4.350 0.000 0.000 0.272 24 E C 0.502 177.150 176.600 0.079 0.000 1.036 24 E CA -0.574 55.853 56.400 0.045 0.000 0.864 24 E CB 1.124 30.854 29.700 0.050 0.000 1.035 24 E HN 0.360 nan 8.360 nan 0.000 0.408 25 K N 1.733 122.176 120.400 0.072 0.000 2.715 25 K HA 0.095 4.415 4.320 0.000 0.000 0.248 25 K C -0.343 176.338 176.600 0.136 0.000 1.276 25 K CA 0.167 56.514 56.287 0.101 0.000 1.209 25 K CB -0.281 32.261 32.500 0.070 0.000 1.509 25 K HN 0.188 nan 8.250 nan 0.000 0.261 26 S N 1.034 116.855 115.700 0.201 0.000 2.847 26 S HA 0.006 4.477 4.470 0.000 0.000 0.254 26 S C -0.735 174.135 174.600 0.449 0.000 1.039 26 S CA -0.505 57.857 58.200 0.270 0.000 1.113 26 S CB -0.016 63.275 63.200 0.152 0.000 1.092 26 S HN 0.502 nan 8.310 nan 0.000 0.620 27 Y N 3.732 124.172 120.300 0.234 0.000 2.584 27 Y HA 0.288 4.838 4.550 0.000 0.000 0.351 27 Y C 0.378 176.360 175.900 0.137 0.000 1.030 27 Y CA -0.977 57.245 58.100 0.204 0.000 1.332 27 Y CB -0.403 38.166 38.460 0.182 0.000 1.148 27 Y HN 0.260 nan 8.280 nan 0.000 0.528 28 H N 4.261 123.145 119.070 -0.311 0.000 3.086 28 H HA 0.019 4.575 4.556 0.000 0.000 0.265 28 H C 1.447 176.464 175.328 -0.518 0.000 1.092 28 H CA 0.600 56.364 56.048 -0.473 0.000 1.487 28 H CB 0.851 30.346 29.762 -0.445 0.000 1.514 28 H HN 0.856 nan 8.280 nan 0.000 0.497 29 T N 3.707 118.125 114.554 -0.227 0.000 3.025 29 T HA -0.083 4.267 4.350 0.000 0.000 0.270 29 T C 1.667 176.345 174.700 -0.037 0.000 1.126 29 T CA 1.128 63.159 62.100 -0.115 0.000 1.105 29 T CB -0.054 68.804 68.868 -0.016 0.000 0.884 29 T HN 0.549 nan 8.240 nan 0.000 0.522 30 K N 0.485 120.947 120.400 0.104 0.000 2.168 30 K HA 0.167 4.487 4.320 0.000 0.000 0.201 30 K C 2.166 178.726 176.600 -0.068 0.000 1.049 30 K CA 0.663 56.984 56.287 0.056 0.000 0.974 30 K CB 0.001 32.578 32.500 0.128 0.000 0.792 30 K HN 0.317 nan 8.250 nan 0.000 0.463 31 K N 0.854 121.151 120.400 -0.171 0.000 2.305 31 K HA 0.039 4.359 4.320 0.000 0.000 0.199 31 K C -0.086 176.370 176.600 -0.240 0.000 1.047 31 K CA 0.107 56.227 56.287 -0.277 0.000 0.976 31 K CB 0.247 32.473 32.500 -0.457 0.000 0.765 31 K HN -0.118 nan 8.250 nan 0.000 0.474 32 K N 0.280 120.476 120.400 -0.339 0.000 3.125 32 K HA -0.131 4.189 4.320 0.000 0.000 0.268 32 K C -1.086 175.275 176.600 -0.398 0.000 1.078 32 K CA 0.421 56.430 56.287 -0.463 0.000 0.775 32 K CB -2.354 30.063 32.500 -0.139 0.000 1.253 32 K HN 0.051 nan 8.250 nan 0.000 0.486 33 V N 0.019 119.679 119.914 -0.424 0.000 2.760 33 V HA 0.246 4.366 4.120 0.000 0.000 0.309 33 V C 0.054 176.171 176.094 0.038 0.000 1.077 33 V CA -1.178 61.059 62.300 -0.105 0.000 0.910 33 V CB 2.503 34.289 31.823 -0.063 0.000 1.008 33 V HN 0.428 nan 8.190 nan 0.000 0.424 34 C N 3.965 123.444 119.300 0.299 0.000 2.394 34 C HA 0.368 4.828 4.460 0.000 0.000 0.362 34 C C 2.003 177.149 174.990 0.259 0.000 1.268 34 C CA 0.313 59.556 59.018 0.375 0.000 1.828 34 C CB 0.192 28.210 27.740 0.464 0.000 2.442 34 C HN 1.124 nan 8.230 nan 0.000 0.549 35 S N 3.434 119.291 115.700 0.261 0.000 2.481 35 S HA -0.101 4.369 4.470 0.000 0.000 0.231 35 S C 1.727 176.435 174.600 0.180 0.000 0.996 35 S CA 1.486 59.816 58.200 0.217 0.000 0.942 35 S CB -0.141 63.193 63.200 0.222 0.000 0.768 35 S HN 0.837 nan 8.310 nan 0.000 0.520 36 S N 0.633 116.434 115.700 0.168 0.000 2.371 36 S HA -0.012 4.458 4.470 0.000 0.000 0.219 36 S C 1.964 176.630 174.600 0.111 0.000 1.040 36 S CA 0.821 59.096 58.200 0.126 0.000 0.958 36 S CB -0.541 62.719 63.200 0.100 0.000 0.860 36 S HN 0.899 nan 8.310 nan 0.000 0.487 37 C N 0.129 119.505 119.300 0.127 0.000 3.038 37 C HA 0.703 5.163 4.460 0.000 0.000 0.279 37 C C 1.744 176.811 174.990 0.128 0.000 1.276 37 C CA 0.187 59.263 59.018 0.096 0.000 1.697 37 C CB -0.513 27.272 27.740 0.075 0.000 2.032 37 C HN 0.825 nan 8.230 nan 0.000 0.636 38 G N 0.628 109.534 108.800 0.177 0.000 2.148 38 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 38 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 38 G C -0.186 174.847 174.900 0.222 0.000 0.981 38 G CA 0.261 45.463 45.100 0.169 0.000 0.670 38 G HN 0.801 nan 8.290 nan 0.000 0.528 39 F N 1.542 121.562 119.950 0.116 0.000 2.602 39 F HA 0.413 4.940 4.527 0.000 0.000 0.385 39 F C 1.519 177.433 175.800 0.190 0.000 1.063 39 F CA 1.045 59.120 58.000 0.124 0.000 1.233 39 F CB 0.533 39.598 39.000 0.108 0.000 1.067 39 F HN 1.132 nan 8.300 nan 0.000 0.564 40 G N 4.587 113.169 108.800 -0.363 0.000 2.213 40 G HA2 -0.331 3.629 3.960 0.000 0.000 0.236 40 G HA3 -0.331 3.629 3.960 0.000 0.000 0.236 40 G C 1.134 175.972 174.900 -0.103 0.000 0.991 40 G CA 0.450 45.365 45.100 -0.308 0.000 0.629 40 G HN 0.744 nan 8.290 nan 0.000 0.517 41 K N 0.351 120.741 120.400 -0.017 0.000 2.325 41 K HA 0.395 4.715 4.320 0.000 0.000 0.203 41 K C 1.039 177.653 176.600 0.024 0.000 1.128 41 K CA 1.302 57.595 56.287 0.011 0.000 0.931 41 K CB 0.378 32.905 32.500 0.046 0.000 1.125 41 K HN 0.818 nan 8.250 nan 0.000 0.487 42 S N -1.467 114.262 115.700 0.050 0.000 2.564 42 S HA 0.579 5.049 4.470 0.000 0.000 0.274 42 S C 0.475 175.118 174.600 0.070 0.000 1.124 42 S CA -0.441 57.788 58.200 0.048 0.000 0.869 42 S CB 1.797 65.019 63.200 0.038 0.000 1.105 42 S HN 0.171 nan 8.310 nan 0.000 0.472 43 A N 1.945 124.797 122.820 0.054 0.000 1.898 43 A HA 0.152 4.472 4.320 0.000 0.000 0.216 43 A C 0.983 178.596 177.584 0.049 0.000 1.181 43 A CA 0.841 52.916 52.037 0.063 0.000 0.620 43 A CB -0.626 18.399 19.000 0.041 0.000 0.819 43 A HN 0.809 nan 8.150 nan 0.000 0.442 44 K N 0.564 120.978 120.400 0.024 0.000 2.258 44 K HA 0.232 4.552 4.320 0.000 0.000 0.264 44 K C -0.252 176.344 176.600 -0.006 0.000 1.007 44 K CA -0.525 55.761 56.287 -0.002 0.000 0.941 44 K CB 0.433 32.920 32.500 -0.023 0.000 0.966 44 K HN 0.156 nan 8.250 nan 0.000 0.480 45 R N 2.423 122.906 120.500 -0.030 0.000 2.389 45 R HA 0.056 4.396 4.340 0.000 0.000 0.295 45 R C 0.243 176.483 176.300 -0.100 0.000 1.075 45 R CA -0.139 55.936 56.100 -0.041 0.000 1.005 45 R CB 0.502 30.772 30.300 -0.051 0.000 0.987 45 R HN 0.581 nan 8.270 nan 0.000 0.452 46 R N 2.082 122.530 120.500 -0.088 0.000 2.484 46 R HA -0.061 4.279 4.340 0.000 0.000 0.293 46 R C -0.833 175.284 176.300 -0.306 0.000 1.023 46 R CA 0.684 56.669 56.100 -0.192 0.000 1.037 46 R CB 0.234 30.511 30.300 -0.039 0.000 0.951 46 R HN 0.605 nan 8.270 nan 0.000 0.418 47 D N 2.962 122.995 120.400 -0.612 0.000 2.769 47 D HA 0.285 4.925 4.640 0.000 0.000 0.219 47 D C -1.948 173.793 176.300 -0.930 0.000 1.245 47 D CA -0.350 53.319 54.000 -0.552 0.000 0.801 47 D CB 0.794 41.399 40.800 -0.325 0.000 1.598 47 D HN 0.420 nan 8.370 nan 0.000 0.485 48 Y N 1.077 121.090 120.300 -0.478 0.000 2.524 48 Y HA 0.289 4.839 4.550 0.000 0.000 0.347 48 Y C 1.010 176.548 175.900 -0.603 0.000 1.005 48 Y CA -0.863 56.819 58.100 -0.697 0.000 1.025 48 Y CB 2.175 39.724 38.460 -1.519 0.000 1.275 48 Y HN 0.271 nan 8.280 nan 0.000 0.460 49 E N 1.944 122.016 120.200 -0.213 0.000 2.268 49 E HA -0.134 4.216 4.350 0.000 0.000 0.195 49 E C 1.546 178.144 176.600 -0.003 0.000 0.995 49 E CA 0.967 57.319 56.400 -0.080 0.000 0.836 49 E CB -0.047 29.664 29.700 0.019 0.000 0.763 49 E HN 0.828 nan 8.360 nan 0.000 0.491 50 W N 0.413 121.775 121.300 0.103 0.000 3.077 50 W HA 0.058 4.718 4.660 0.000 0.000 0.245 50 W C 0.801 177.355 176.519 0.059 0.000 1.316 50 W CA -0.088 57.293 57.345 0.059 0.000 1.537 50 W CB -0.521 28.955 29.460 0.026 0.000 1.131 50 W HN 0.049 nan 8.180 nan 0.000 0.695 51 Q N 1.665 121.456 119.800 -0.014 0.000 2.488 51 Q HA -0.035 4.305 4.340 0.000 0.000 0.211 51 Q C 0.790 176.831 176.000 0.067 0.000 0.967 51 Q CA 0.959 56.773 55.803 0.019 0.000 0.926 51 Q CB 0.170 28.808 28.738 -0.165 0.000 0.992 51 Q HN 0.239 nan 8.270 nan 0.000 0.506 52 S N -1.431 114.313 115.700 0.073 0.000 2.638 52 S HA 0.442 4.912 4.470 0.000 0.000 0.274 52 S C -0.885 173.761 174.600 0.077 0.000 1.157 52 S CA -1.253 56.983 58.200 0.059 0.000 0.826 52 S CB 1.718 64.932 63.200 0.023 0.000 1.139 52 S HN -0.191 nan 8.310 nan 0.000 0.474 53 K N 0.765 121.200 120.400 0.059 0.000 2.414 53 K HA 0.340 4.660 4.320 0.000 0.000 0.272 53 K C 1.590 178.221 176.600 0.052 0.000 0.993 53 K CA 0.426 56.747 56.287 0.057 0.000 0.964 53 K CB 0.471 32.995 32.500 0.041 0.000 0.925 53 K HN 0.837 nan 8.250 nan 0.000 0.487 54 A N 2.668 125.521 122.820 0.055 0.000 1.986 54 A HA -0.136 4.184 4.320 0.000 0.000 0.220 54 A C 1.811 179.415 177.584 0.034 0.000 1.171 54 A CA 2.175 54.241 52.037 0.049 0.000 0.640 54 A CB -0.587 18.443 19.000 0.049 0.000 0.811 54 A HN 0.777 nan 8.150 nan 0.000 0.451 55 G N -1.183 107.634 108.800 0.028 0.000 3.026 55 G HA2 0.356 4.316 3.960 0.000 0.000 0.208 55 G HA3 0.356 4.316 3.960 0.000 0.000 0.208 55 G C 0.334 175.244 174.900 0.017 0.000 1.169 55 G CA 0.180 45.292 45.100 0.021 0.000 0.788 55 G HN 0.607 nan 8.290 nan 0.000 0.533 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 0.013 0.000 0.000 56 E CB 0.000 29.708 29.700 0.014 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000