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 1kd1_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 68.869 68.868 0.001 0.000 0.612 2 G N 0.360 109.160 108.800 0.001 0.000 2.491 2 G HA2 0.483 4.443 3.960 0.000 0.000 0.242 2 G HA3 0.483 4.443 3.960 0.000 0.000 0.242 2 G C 0.973 175.874 174.900 0.001 0.000 1.266 2 G CA 0.018 45.118 45.100 0.001 0.000 0.844 2 G HN 1.003 nan 8.290 nan 0.000 0.571 3 A N 1.747 124.568 122.820 0.001 0.000 2.218 3 A HA 0.416 4.736 4.320 0.000 0.000 0.209 3 A C 1.788 179.373 177.584 0.002 0.000 1.168 3 A CA 1.205 53.243 52.037 0.002 0.000 0.804 3 A CB -0.246 18.755 19.000 0.001 0.000 0.834 3 A HN 0.901 nan 8.150 nan 0.000 0.482 4 G N -0.762 108.039 108.800 0.002 0.000 3.152 4 G HA2 0.219 4.179 3.960 0.000 0.000 0.157 4 G HA3 0.219 4.179 3.960 0.000 0.000 0.157 4 G C 1.218 176.120 174.900 0.003 0.000 1.786 4 G CA 0.939 46.040 45.100 0.002 0.000 1.055 4 G HN 0.199 nan 8.290 nan 0.000 0.528 5 T N 2.797 117.353 114.554 0.002 0.000 2.592 5 T HA -0.140 4.210 4.350 0.000 0.000 0.267 5 T C 0.153 174.855 174.700 0.003 0.000 1.060 5 T CA 2.266 64.367 62.100 0.003 0.000 1.167 5 T CB -1.222 67.647 68.868 0.002 0.000 0.863 5 T HN 0.403 nan 8.240 nan 0.000 0.431 6 P HA -0.024 nan 4.420 nan 0.000 0.218 6 P C 1.159 178.460 177.300 0.003 0.000 1.146 6 P CA 1.159 64.260 63.100 0.002 0.000 0.813 6 P CB -0.133 31.568 31.700 0.002 0.000 0.778 7 S N -0.588 115.114 115.700 0.003 0.000 2.593 7 S HA 0.025 4.495 4.470 0.000 0.000 0.217 7 S C 1.715 176.318 174.600 0.005 0.000 0.966 7 S CA 0.304 58.506 58.200 0.004 0.000 0.914 7 S CB -0.297 62.905 63.200 0.004 0.000 0.776 7 S HN 0.161 nan 8.310 nan 0.000 0.523 8 Q N 0.811 120.614 119.800 0.004 0.000 2.389 8 Q HA 0.149 4.489 4.340 0.000 0.000 0.204 8 Q C 2.166 178.169 176.000 0.005 0.000 0.944 8 Q CA 0.713 56.520 55.803 0.005 0.000 0.908 8 Q CB -0.871 27.870 28.738 0.005 0.000 1.002 8 Q HN 0.570 nan 8.270 nan 0.000 0.493 9 G N 1.291 110.094 108.800 0.004 0.000 2.432 9 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 9 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 9 G C 1.284 176.186 174.900 0.004 0.000 1.135 9 G CA 0.312 45.414 45.100 0.004 0.000 0.767 9 G HN 0.298 nan 8.290 nan 0.000 0.550 10 K N 0.355 120.757 120.400 0.004 0.000 2.525 10 K HA 0.066 4.387 4.320 0.000 0.000 0.192 10 K C 0.347 176.950 176.600 0.004 0.000 1.029 10 K CA 0.170 56.459 56.287 0.004 0.000 1.029 10 K CB 0.193 32.696 32.500 0.004 0.000 0.814 10 K HN 0.197 nan 8.250 nan 0.000 0.503 11 K N 2.663 123.066 120.400 0.005 0.000 2.187 11 K HA 0.045 4.365 4.320 0.000 0.000 0.242 11 K C 0.036 176.638 176.600 0.004 0.000 1.179 11 K CA -0.156 56.135 56.287 0.006 0.000 1.097 11 K CB -0.038 32.467 32.500 0.008 0.000 1.634 11 K HN 0.143 nan 8.250 nan 0.000 0.335 12 N N 0.006 118.707 118.700 0.002 0.000 2.433 12 N HA 0.012 4.752 4.740 0.000 0.000 0.270 12 N C -0.799 174.710 175.510 -0.002 0.000 1.354 12 N CA -0.453 52.598 53.050 0.001 0.000 0.889 12 N CB 0.723 39.211 38.487 0.002 0.000 1.285 12 N HN -0.090 nan 8.380 nan 0.000 0.503 13 T N 0.421 114.972 114.554 -0.005 0.000 2.829 13 T HA 0.355 4.705 4.350 0.000 0.000 0.282 13 T C -0.331 174.353 174.700 -0.026 0.000 0.990 13 T CA -0.008 62.084 62.100 -0.013 0.000 1.028 13 T CB 1.466 70.327 68.868 -0.012 0.000 0.951 13 T HN 0.048 nan 8.240 nan 0.000 0.460 14 T N 2.965 117.498 114.554 -0.036 0.000 2.744 14 T HA 0.438 4.788 4.350 0.000 0.000 0.291 14 T C 1.206 175.834 174.700 -0.120 0.000 0.957 14 T CA -0.550 61.518 62.100 -0.053 0.000 1.002 14 T CB 0.936 69.786 68.868 -0.029 0.000 0.919 14 T HN 0.851 nan 8.240 nan 0.000 0.468 15 T N -0.334 114.098 114.554 -0.202 0.000 3.463 15 T HA 0.171 4.521 4.350 0.000 0.000 0.203 15 T C 0.397 174.759 174.700 -0.562 0.000 0.955 15 T CA -0.315 61.476 62.100 -0.515 0.000 1.230 15 T CB -0.146 68.299 68.868 -0.705 0.000 1.392 15 T HN 0.540 nan 8.240 nan 0.000 0.361 16 H N 3.586 122.481 119.070 -0.292 0.000 2.878 16 H HA 0.467 5.023 4.556 0.000 0.000 0.290 16 H C 0.281 175.595 175.328 -0.023 0.000 1.065 16 H CA 0.573 56.542 56.048 -0.132 0.000 1.477 16 H CB 0.319 30.044 29.762 -0.063 0.000 1.484 16 H HN 0.691 nan 8.280 nan 0.000 0.504 17 T N -0.007 114.632 114.554 0.143 0.000 2.930 17 T HA 0.294 4.644 4.350 0.000 0.000 0.290 17 T C 0.131 174.955 174.700 0.205 0.000 1.052 17 T CA -1.368 60.827 62.100 0.158 0.000 1.017 17 T CB 2.198 71.157 68.868 0.153 0.000 1.137 17 T HN 0.303 nan 8.240 nan 0.000 0.511 18 K N 0.657 121.135 120.400 0.131 0.000 2.473 18 K HA 0.091 4.411 4.320 0.000 0.000 0.277 18 K C -0.059 176.587 176.600 0.077 0.000 1.052 18 K CA -0.190 56.149 56.287 0.087 0.000 1.114 18 K CB -0.628 31.896 32.500 0.041 0.000 0.869 18 K HN 0.771 nan 8.250 nan 0.000 0.481 19 C N 6.590 125.923 119.300 0.054 0.000 2.482 19 C HA 0.235 4.695 4.460 0.000 0.000 0.378 19 C C 1.894 176.756 174.990 -0.214 0.000 1.284 19 C CA -0.557 58.425 59.018 -0.059 0.000 1.826 19 C CB -0.345 27.415 27.740 0.034 0.000 2.473 19 C HN 1.128 nan 8.230 nan 0.000 0.562 20 R N 3.081 123.353 120.500 -0.380 0.000 2.119 20 R HA -0.167 4.173 4.340 0.000 0.000 0.246 20 R C 2.435 178.454 176.300 -0.467 0.000 1.146 20 R CA 2.156 58.015 56.100 -0.402 0.000 0.962 20 R CB -0.277 29.729 30.300 -0.489 0.000 0.863 20 R HN 0.871 nan 8.270 nan 0.000 0.442 21 R N -0.040 120.039 120.500 -0.701 0.000 2.075 21 R HA -0.094 4.246 4.340 0.000 0.000 0.226 21 R C 2.247 178.390 176.300 -0.261 0.000 1.114 21 R CA 1.708 57.464 56.100 -0.573 0.000 0.972 21 R CB -0.117 29.712 30.300 -0.785 0.000 0.869 21 R HN 0.528 nan 8.270 nan 0.000 0.437 22 C N -2.363 116.838 119.300 -0.165 0.000 3.230 22 C HA 0.527 4.987 4.460 0.000 0.000 0.300 22 C C 1.445 176.401 174.990 -0.056 0.000 1.292 22 C CA 0.200 59.172 59.018 -0.078 0.000 1.707 22 C CB 0.280 28.009 27.740 -0.019 0.000 2.181 22 C HN 0.662 nan 8.230 nan 0.000 0.655 23 G N 0.856 109.617 108.800 -0.065 0.000 2.176 23 G HA2 -0.164 3.796 3.960 0.000 0.000 0.253 23 G HA3 -0.164 3.796 3.960 0.000 0.000 0.253 23 G C -0.261 174.637 174.900 -0.004 0.000 0.979 23 G CA 0.516 45.593 45.100 -0.039 0.000 0.641 23 G HN 0.627 nan 8.290 nan 0.000 0.530 24 E N 0.216 120.426 120.200 0.018 0.000 2.319 24 E HA 0.295 4.645 4.350 0.000 0.000 0.268 24 E C 0.567 177.211 176.600 0.073 0.000 1.050 24 E CA -0.631 55.793 56.400 0.041 0.000 0.878 24 E CB 1.066 30.796 29.700 0.050 0.000 1.066 24 E HN 0.364 nan 8.360 nan 0.000 0.406 25 K N 1.439 121.880 120.400 0.068 0.000 2.737 25 K HA 0.116 4.436 4.320 0.000 0.000 0.251 25 K C -0.316 176.363 176.600 0.131 0.000 1.280 25 K CA 0.159 56.503 56.287 0.095 0.000 1.219 25 K CB -0.262 32.276 32.500 0.065 0.000 1.587 25 K HN 0.152 nan 8.250 nan 0.000 0.279 26 S N 0.937 116.752 115.700 0.191 0.000 2.780 26 S HA 0.019 4.489 4.470 0.000 0.000 0.248 26 S C -0.800 174.055 174.600 0.426 0.000 1.036 26 S CA -0.502 57.853 58.200 0.258 0.000 1.061 26 S CB -0.026 63.276 63.200 0.170 0.000 1.037 26 S HN 0.495 nan 8.310 nan 0.000 0.584 27 Y N 3.646 124.075 120.300 0.215 0.000 2.584 27 Y HA 0.274 4.824 4.550 0.000 0.000 0.351 27 Y C 0.353 176.334 175.900 0.137 0.000 1.030 27 Y CA -1.205 57.014 58.100 0.200 0.000 1.332 27 Y CB -0.414 38.151 38.460 0.174 0.000 1.148 27 Y HN 0.248 nan 8.280 nan 0.000 0.528 28 H N 4.267 123.185 119.070 -0.254 0.000 3.160 28 H HA 0.035 4.591 4.556 0.000 0.000 0.257 28 H C 1.485 176.500 175.328 -0.522 0.000 1.140 28 H CA 0.656 56.433 56.048 -0.452 0.000 1.492 28 H CB 0.747 30.262 29.762 -0.412 0.000 1.529 28 H HN 0.873 nan 8.280 nan 0.000 0.490 29 T N 3.393 117.766 114.554 -0.302 0.000 2.977 29 T HA -0.105 4.245 4.350 0.000 0.000 0.271 29 T C 1.780 176.435 174.700 -0.075 0.000 1.105 29 T CA 1.202 63.183 62.100 -0.197 0.000 1.116 29 T CB -0.062 68.765 68.868 -0.068 0.000 0.878 29 T HN 0.535 nan 8.240 nan 0.000 0.509 30 K N 0.616 121.074 120.400 0.097 0.000 2.137 30 K HA 0.122 4.442 4.320 0.000 0.000 0.202 30 K C 2.195 178.771 176.600 -0.039 0.000 1.052 30 K CA 0.819 57.150 56.287 0.074 0.000 0.961 30 K CB -0.017 32.582 32.500 0.165 0.000 0.741 30 K HN 0.379 nan 8.250 nan 0.000 0.452 31 K N 0.663 120.997 120.400 -0.111 0.000 2.314 31 K HA 0.049 4.369 4.320 0.000 0.000 0.198 31 K C -0.061 176.407 176.600 -0.221 0.000 1.045 31 K CA 0.003 56.133 56.287 -0.262 0.000 0.988 31 K CB 0.308 32.532 32.500 -0.461 0.000 0.783 31 K HN -0.128 nan 8.250 nan 0.000 0.484 32 K N 0.400 120.605 120.400 -0.325 0.000 3.125 32 K HA -0.135 4.185 4.320 0.000 0.000 0.268 32 K C -1.016 175.408 176.600 -0.293 0.000 1.078 32 K CA 0.431 56.460 56.287 -0.431 0.000 0.775 32 K CB -2.311 30.116 32.500 -0.121 0.000 1.253 32 K HN 0.053 nan 8.250 nan 0.000 0.486 33 V N -0.087 119.640 119.914 -0.312 0.000 2.888 33 V HA 0.261 4.381 4.120 0.000 0.000 0.309 33 V C 0.017 176.195 176.094 0.140 0.000 1.114 33 V CA -1.181 61.107 62.300 -0.020 0.000 0.940 33 V CB 2.566 34.369 31.823 -0.033 0.000 1.021 33 V HN 0.430 nan 8.190 nan 0.000 0.426 34 C N 3.637 123.137 119.300 0.334 0.000 2.415 34 C HA 0.414 4.874 4.460 0.000 0.000 0.369 34 C C 1.953 177.102 174.990 0.266 0.000 1.279 34 C CA 0.344 59.593 59.018 0.384 0.000 1.886 34 C CB 0.370 28.366 27.740 0.427 0.000 2.468 34 C HN 1.122 nan 8.230 nan 0.000 0.553 35 S N 3.368 119.232 115.700 0.273 0.000 2.522 35 S HA -0.077 4.393 4.470 0.000 0.000 0.227 35 S C 1.612 176.320 174.600 0.181 0.000 0.986 35 S CA 1.338 59.671 58.200 0.221 0.000 0.929 35 S CB -0.087 63.248 63.200 0.225 0.000 0.769 35 S HN 0.817 nan 8.310 nan 0.000 0.529 36 S N 0.444 116.247 115.700 0.172 0.000 2.452 36 S HA 0.035 4.505 4.470 0.000 0.000 0.225 36 S C 1.863 176.535 174.600 0.119 0.000 1.057 36 S CA 0.643 58.921 58.200 0.130 0.000 0.949 36 S CB -0.346 62.914 63.200 0.101 0.000 0.836 36 S HN 0.871 nan 8.310 nan 0.000 0.518 37 C N 0.470 119.853 119.300 0.138 0.000 3.038 37 C HA 0.663 5.123 4.460 0.000 0.000 0.279 37 C C 1.803 176.880 174.990 0.145 0.000 1.276 37 C CA 0.226 59.314 59.018 0.116 0.000 1.697 37 C CB -0.626 27.176 27.740 0.103 0.000 2.032 37 C HN 0.750 nan 8.230 nan 0.000 0.636 38 G N 0.691 109.598 108.800 0.178 0.000 2.189 38 G HA2 -0.318 3.642 3.960 0.000 0.000 0.267 38 G HA3 -0.318 3.642 3.960 0.000 0.000 0.267 38 G C -0.079 174.929 174.900 0.179 0.000 0.975 38 G CA 0.373 45.568 45.100 0.159 0.000 0.644 38 G HN 0.911 nan 8.290 nan 0.000 0.537 39 F N 1.463 121.476 119.950 0.105 0.000 2.623 39 F HA 0.368 4.895 4.527 0.000 0.000 0.383 39 F C 1.561 177.462 175.800 0.168 0.000 1.077 39 F CA 1.450 59.510 58.000 0.100 0.000 1.268 39 F CB 0.435 39.472 39.000 0.063 0.000 1.053 39 F HN 1.187 nan 8.300 nan 0.000 0.571 40 G N 4.441 112.866 108.800 -0.625 0.000 2.217 40 G HA2 -0.354 3.606 3.960 0.000 0.000 0.246 40 G HA3 -0.354 3.606 3.960 0.000 0.000 0.246 40 G C 1.040 175.838 174.900 -0.169 0.000 0.990 40 G CA 0.532 45.364 45.100 -0.446 0.000 0.627 40 G HN 0.834 nan 8.290 nan 0.000 0.522 41 K N -0.373 119.980 120.400 -0.079 0.000 2.424 41 K HA 0.447 4.767 4.320 0.000 0.000 0.200 41 K C 0.712 177.307 176.600 -0.008 0.000 1.279 41 K CA 0.965 57.237 56.287 -0.025 0.000 0.918 41 K CB 0.565 33.075 32.500 0.017 0.000 1.287 41 K HN 0.429 nan 8.250 nan 0.000 0.502 42 S N -0.568 115.139 115.700 0.012 0.000 2.521 42 S HA 0.571 5.041 4.470 0.000 0.000 0.295 42 S C 0.284 174.908 174.600 0.040 0.000 1.098 42 S CA -0.319 57.895 58.200 0.023 0.000 0.999 42 S CB 1.805 65.021 63.200 0.028 0.000 1.034 42 S HN 0.320 nan 8.310 nan 0.000 0.483 43 A N 4.830 127.668 122.820 0.030 0.000 1.930 43 A HA 0.159 4.479 4.320 0.000 0.000 0.217 43 A C 0.887 178.496 177.584 0.041 0.000 1.175 43 A CA 0.972 53.036 52.037 0.045 0.000 0.627 43 A CB -0.321 18.696 19.000 0.028 0.000 0.815 43 A HN 0.769 nan 8.150 nan 0.000 0.443 44 K N 0.635 121.045 120.400 0.017 0.000 2.237 44 K HA 0.283 4.603 4.320 0.000 0.000 0.270 44 K C -0.231 176.367 176.600 -0.004 0.000 1.015 44 K CA -0.636 55.649 56.287 -0.003 0.000 0.949 44 K CB 0.565 33.050 32.500 -0.025 0.000 0.976 44 K HN 0.168 nan 8.250 nan 0.000 0.472 45 R N 2.245 122.733 120.500 -0.020 0.000 2.543 45 R HA 0.058 4.398 4.340 0.000 0.000 0.277 45 R C 0.299 176.552 176.300 -0.078 0.000 1.074 45 R CA -0.128 55.957 56.100 -0.024 0.000 1.076 45 R CB 0.478 30.759 30.300 -0.032 0.000 0.993 45 R HN 0.592 nan 8.270 nan 0.000 0.459 46 R N 1.687 122.153 120.500 -0.057 0.000 2.522 46 R HA -0.040 4.300 4.340 0.000 0.000 0.284 46 R C -0.812 175.346 176.300 -0.238 0.000 1.032 46 R CA 0.670 56.695 56.100 -0.126 0.000 1.049 46 R CB 0.313 30.624 30.300 0.019 0.000 0.956 46 R HN 0.696 nan 8.270 nan 0.000 0.422 47 D N 2.524 122.602 120.400 -0.538 0.000 2.734 47 D HA 0.240 4.880 4.640 0.000 0.000 0.224 47 D C -1.999 173.732 176.300 -0.949 0.000 1.222 47 D CA -0.395 53.293 54.000 -0.520 0.000 0.761 47 D CB 0.597 41.214 40.800 -0.304 0.000 1.569 47 D HN 0.412 nan 8.370 nan 0.000 0.477 48 Y N 0.888 120.902 120.300 -0.478 0.000 2.562 48 Y HA 0.319 4.869 4.550 0.000 0.000 0.345 48 Y C 0.972 176.529 175.900 -0.571 0.000 1.045 48 Y CA -0.860 56.844 58.100 -0.660 0.000 1.028 48 Y CB 2.055 39.636 38.460 -1.465 0.000 1.297 48 Y HN 0.271 nan 8.280 nan 0.000 0.463 49 E N 1.601 121.684 120.200 -0.196 0.000 2.274 49 E HA -0.121 4.229 4.350 0.000 0.000 0.194 49 E C 1.422 178.041 176.600 0.031 0.000 0.996 49 E CA 0.918 57.281 56.400 -0.062 0.000 0.840 49 E CB -0.023 29.695 29.700 0.030 0.000 0.772 49 E HN 0.841 nan 8.360 nan 0.000 0.491 50 W N 0.603 121.970 121.300 0.113 0.000 3.077 50 W HA 0.094 4.754 4.660 0.000 0.000 0.245 50 W C 0.825 177.380 176.519 0.060 0.000 1.316 50 W CA -0.144 57.241 57.345 0.067 0.000 1.537 50 W CB -0.458 29.025 29.460 0.039 0.000 1.131 50 W HN 0.027 nan 8.180 nan 0.000 0.695 51 Q N 1.715 121.539 119.800 0.040 0.000 2.488 51 Q HA -0.032 4.308 4.340 0.000 0.000 0.211 51 Q C 0.860 176.908 176.000 0.080 0.000 0.967 51 Q CA 0.985 56.812 55.803 0.041 0.000 0.926 51 Q CB 0.151 28.790 28.738 -0.165 0.000 0.992 51 Q HN 0.232 nan 8.270 nan 0.000 0.506 52 S N -1.169 114.581 115.700 0.084 0.000 2.651 52 S HA 0.443 4.913 4.470 0.000 0.000 0.279 52 S C -0.846 173.804 174.600 0.082 0.000 1.148 52 S CA -1.227 57.012 58.200 0.065 0.000 0.837 52 S CB 1.775 64.992 63.200 0.028 0.000 1.138 52 S HN -0.197 nan 8.310 nan 0.000 0.478 53 K N 1.012 121.449 120.400 0.062 0.000 2.448 53 K HA 0.339 4.659 4.320 0.000 0.000 0.278 53 K C 1.632 178.265 176.600 0.055 0.000 1.009 53 K CA 0.449 56.771 56.287 0.059 0.000 0.995 53 K CB 0.562 33.087 32.500 0.042 0.000 0.917 53 K HN 0.826 nan 8.250 nan 0.000 0.481 54 A N 3.318 126.174 122.820 0.060 0.000 1.940 54 A HA -0.192 4.128 4.320 0.000 0.000 0.221 54 A C 1.564 179.171 177.584 0.038 0.000 1.190 54 A CA 2.348 54.417 52.037 0.055 0.000 0.647 54 A CB -0.646 18.385 19.000 0.052 0.000 0.821 54 A HN 0.746 nan 8.150 nan 0.000 0.457 55 G N -0.984 107.835 108.800 0.031 0.000 3.678 55 G HA2 0.448 4.408 3.960 0.000 0.000 0.287 55 G HA3 0.448 4.408 3.960 0.000 0.000 0.287 55 G C -0.014 174.898 174.900 0.019 0.000 1.280 55 G CA 0.549 45.662 45.100 0.023 0.000 1.118 55 G HN 0.659 nan 8.290 nan 0.000 0.563 56 E N 0.000 120.213 120.200 0.021 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.409 56.400 0.015 0.000 0.000 56 E CB 0.000 29.711 29.700 0.018 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000