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 3cpw_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 0.000 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.640 109.440 108.800 0.001 0.000 2.491 2 G HA2 0.479 4.439 3.960 0.000 0.000 0.242 2 G HA3 0.479 4.439 3.960 0.000 0.000 0.242 2 G C 1.093 175.993 174.900 0.001 0.000 1.266 2 G CA -0.064 45.036 45.100 0.001 0.000 0.844 2 G HN 1.022 nan 8.290 nan 0.000 0.571 3 A N 1.851 124.671 122.820 0.001 0.000 2.066 3 A HA 0.274 4.594 4.320 0.000 0.000 0.218 3 A C 1.971 179.557 177.584 0.002 0.000 1.157 3 A CA 1.620 53.658 52.037 0.002 0.000 0.670 3 A CB -0.512 18.489 19.000 0.001 0.000 0.804 3 A HN 0.933 nan 8.150 nan 0.000 0.453 4 G N -0.978 107.823 108.800 0.002 0.000 3.048 4 G HA2 0.185 4.145 3.960 0.000 0.000 0.151 4 G HA3 0.185 4.145 3.960 0.000 0.000 0.151 4 G C 1.228 176.130 174.900 0.003 0.000 1.803 4 G CA 0.934 46.035 45.100 0.002 0.000 1.047 4 G HN 0.231 nan 8.290 nan 0.000 0.513 5 T N 2.622 117.177 114.554 0.002 0.000 2.649 5 T HA -0.133 4.217 4.350 0.000 0.000 0.268 5 T C 0.123 174.824 174.700 0.003 0.000 1.036 5 T CA 2.070 64.172 62.100 0.003 0.000 1.157 5 T CB -1.134 67.735 68.868 0.002 0.000 0.861 5 T HN 0.386 nan 8.240 nan 0.000 0.445 6 P HA 0.038 nan 4.420 nan 0.000 0.218 6 P C 1.164 178.466 177.300 0.003 0.000 1.149 6 P CA 1.033 64.134 63.100 0.002 0.000 0.817 6 P CB -0.082 31.619 31.700 0.002 0.000 0.785 7 S N -0.423 115.278 115.700 0.003 0.000 2.631 7 S HA 0.053 4.523 4.470 0.000 0.000 0.217 7 S C 1.568 176.171 174.600 0.005 0.000 0.958 7 S CA 0.205 58.407 58.200 0.003 0.000 0.920 7 S CB -0.280 62.922 63.200 0.004 0.000 0.776 7 S HN 0.175 nan 8.310 nan 0.000 0.517 8 Q N 0.182 119.984 119.800 0.004 0.000 2.402 8 Q HA 0.200 4.540 4.340 0.000 0.000 0.206 8 Q C 2.085 178.088 176.000 0.005 0.000 0.919 8 Q CA 0.469 56.275 55.803 0.005 0.000 0.923 8 Q CB -0.554 28.188 28.738 0.005 0.000 1.048 8 Q HN 0.541 nan 8.270 nan 0.000 0.515 9 G N 1.487 110.290 108.800 0.004 0.000 2.443 9 G HA2 -0.211 3.749 3.960 0.000 0.000 0.219 9 G HA3 -0.211 3.749 3.960 0.000 0.000 0.219 9 G C 1.300 176.202 174.900 0.003 0.000 1.131 9 G CA 0.222 45.324 45.100 0.003 0.000 0.775 9 G HN 0.263 nan 8.290 nan 0.000 0.547 10 K N 0.340 120.742 120.400 0.004 0.000 2.505 10 K HA 0.082 4.402 4.320 0.000 0.000 0.192 10 K C 0.215 176.817 176.600 0.003 0.000 1.025 10 K CA 0.165 56.454 56.287 0.003 0.000 1.086 10 K CB 0.232 32.734 32.500 0.003 0.000 0.840 10 K HN 0.173 nan 8.250 nan 0.000 0.514 11 K N 2.680 123.082 120.400 0.004 0.000 2.184 11 K HA 0.064 4.384 4.320 0.000 0.000 0.259 11 K C 0.039 176.641 176.600 0.003 0.000 1.119 11 K CA -0.193 56.097 56.287 0.005 0.000 0.991 11 K CB 0.174 32.679 32.500 0.008 0.000 1.522 11 K HN 0.145 nan 8.250 nan 0.000 0.405 12 N N 0.261 118.962 118.700 0.000 0.000 2.307 12 N HA 0.003 4.743 4.740 0.000 0.000 0.248 12 N C -0.679 174.827 175.510 -0.007 0.000 1.322 12 N CA -0.446 52.603 53.050 -0.002 0.000 0.861 12 N CB 0.644 39.130 38.487 -0.001 0.000 1.303 12 N HN -0.009 nan 8.380 nan 0.000 0.498 13 T N 0.602 115.149 114.554 -0.011 0.000 2.882 13 T HA 0.367 4.717 4.350 0.000 0.000 0.287 13 T C -0.203 174.475 174.700 -0.038 0.000 0.992 13 T CA 0.175 62.261 62.100 -0.022 0.000 1.076 13 T CB 1.489 70.344 68.868 -0.023 0.000 0.961 13 T HN 0.028 nan 8.240 nan 0.000 0.490 14 T N 2.443 116.965 114.554 -0.052 0.000 2.795 14 T HA 0.493 4.843 4.350 0.000 0.000 0.282 14 T C 1.162 175.766 174.700 -0.161 0.000 0.980 14 T CA -0.603 61.453 62.100 -0.073 0.000 1.012 14 T CB 1.186 70.026 68.868 -0.046 0.000 0.936 14 T HN 0.868 nan 8.240 nan 0.000 0.457 15 T N -0.562 113.838 114.554 -0.256 0.000 3.426 15 T HA 0.176 4.526 4.350 0.000 0.000 0.195 15 T C 0.359 174.693 174.700 -0.609 0.000 0.963 15 T CA -0.327 61.396 62.100 -0.629 0.000 1.154 15 T CB -0.218 68.109 68.868 -0.901 0.000 1.377 15 T HN 0.542 nan 8.240 nan 0.000 0.342 16 H N 3.575 122.475 119.070 -0.284 0.000 2.975 16 H HA 0.472 5.028 4.556 0.000 0.000 0.303 16 H C 0.420 175.739 175.328 -0.014 0.000 1.023 16 H CA 0.884 56.870 56.048 -0.103 0.000 1.473 16 H CB 0.360 30.105 29.762 -0.028 0.000 1.498 16 H HN 0.742 nan 8.280 nan 0.000 0.549 17 T N -0.171 114.476 114.554 0.155 0.000 2.864 17 T HA 0.323 4.673 4.350 0.000 0.000 0.289 17 T C 0.026 174.844 174.700 0.196 0.000 1.082 17 T CA -1.371 60.823 62.100 0.156 0.000 1.009 17 T CB 2.180 71.134 68.868 0.144 0.000 1.234 17 T HN 0.305 nan 8.240 nan 0.000 0.526 18 K N 0.492 120.970 120.400 0.130 0.000 2.491 18 K HA 0.193 4.513 4.320 0.000 0.000 0.279 18 K C -0.132 176.526 176.600 0.096 0.000 1.026 18 K CA -0.274 56.069 56.287 0.093 0.000 1.070 18 K CB -0.472 32.057 32.500 0.049 0.000 0.887 18 K HN 0.779 nan 8.250 nan 0.000 0.481 19 C N 6.230 125.578 119.300 0.080 0.000 2.415 19 C HA 0.305 4.765 4.460 0.000 0.000 0.369 19 C C 1.825 176.726 174.990 -0.149 0.000 1.279 19 C CA -0.631 58.389 59.018 0.003 0.000 1.886 19 C CB 0.038 27.841 27.740 0.105 0.000 2.468 19 C HN 1.123 nan 8.230 nan 0.000 0.553 20 R N 2.563 122.896 120.500 -0.279 0.000 2.103 20 R HA -0.133 4.207 4.340 0.000 0.000 0.242 20 R C 2.462 178.505 176.300 -0.429 0.000 1.142 20 R CA 1.909 57.821 56.100 -0.313 0.000 0.960 20 R CB -0.231 29.889 30.300 -0.300 0.000 0.858 20 R HN 0.840 nan 8.270 nan 0.000 0.439 21 R N 0.038 120.118 120.500 -0.701 0.000 2.055 21 R HA -0.101 4.239 4.340 0.000 0.000 0.226 21 R C 2.412 178.535 176.300 -0.295 0.000 1.135 21 R CA 1.791 57.512 56.100 -0.632 0.000 0.959 21 R CB -0.198 29.532 30.300 -0.951 0.000 0.854 21 R HN 0.500 nan 8.270 nan 0.000 0.431 22 C N -2.415 116.771 119.300 -0.190 0.000 2.791 22 C HA 0.509 4.969 4.460 0.000 0.000 0.288 22 C C 1.587 176.542 174.990 -0.059 0.000 1.271 22 C CA 0.218 59.182 59.018 -0.089 0.000 1.726 22 C CB 0.235 27.958 27.740 -0.029 0.000 2.145 22 C HN 0.695 nan 8.230 nan 0.000 0.572 23 G N 0.503 109.268 108.800 -0.058 0.000 2.195 23 G HA2 -0.158 3.802 3.960 0.000 0.000 0.246 23 G HA3 -0.158 3.802 3.960 0.000 0.000 0.246 23 G C -0.245 174.657 174.900 0.003 0.000 0.984 23 G CA 0.358 45.440 45.100 -0.031 0.000 0.633 23 G HN 0.602 nan 8.290 nan 0.000 0.525 24 E N 0.417 120.631 120.200 0.024 0.000 2.343 24 E HA 0.288 4.638 4.350 0.000 0.000 0.269 24 E C 0.492 177.140 176.600 0.080 0.000 1.047 24 E CA -0.554 55.874 56.400 0.046 0.000 0.874 24 E CB 1.087 30.819 29.700 0.054 0.000 1.033 24 E HN 0.371 nan 8.360 nan 0.000 0.409 25 K N 1.499 121.943 120.400 0.074 0.000 2.737 25 K HA 0.111 4.431 4.320 0.000 0.000 0.251 25 K C -0.344 176.338 176.600 0.138 0.000 1.280 25 K CA 0.149 56.498 56.287 0.102 0.000 1.219 25 K CB -0.286 32.257 32.500 0.072 0.000 1.587 25 K HN 0.181 nan 8.250 nan 0.000 0.279 26 S N 1.069 116.887 115.700 0.197 0.000 2.847 26 S HA 0.013 4.483 4.470 0.000 0.000 0.254 26 S C -0.788 174.062 174.600 0.418 0.000 1.039 26 S CA -0.498 57.857 58.200 0.258 0.000 1.113 26 S CB -0.017 63.279 63.200 0.160 0.000 1.092 26 S HN 0.495 nan 8.310 nan 0.000 0.620 27 Y N 3.647 124.083 120.300 0.226 0.000 2.539 27 Y HA 0.309 4.859 4.550 0.000 0.000 0.352 27 Y C 0.339 176.332 175.900 0.155 0.000 1.004 27 Y CA -1.150 57.075 58.100 0.208 0.000 1.278 27 Y CB -0.368 38.201 38.460 0.182 0.000 1.136 27 Y HN 0.254 nan 8.280 nan 0.000 0.528 28 H N 4.245 123.140 119.070 -0.293 0.000 3.160 28 H HA 0.040 4.596 4.556 0.000 0.000 0.257 28 H C 1.464 176.484 175.328 -0.514 0.000 1.140 28 H CA 0.627 56.405 56.048 -0.449 0.000 1.492 28 H CB 0.741 30.248 29.762 -0.424 0.000 1.529 28 H HN 0.855 nan 8.280 nan 0.000 0.490 29 T N 3.555 117.919 114.554 -0.316 0.000 3.025 29 T HA -0.102 4.248 4.350 0.000 0.000 0.270 29 T C 1.710 176.360 174.700 -0.083 0.000 1.126 29 T CA 1.223 63.217 62.100 -0.176 0.000 1.105 29 T CB -0.066 68.768 68.868 -0.057 0.000 0.884 29 T HN 0.565 nan 8.240 nan 0.000 0.522 30 K N 0.411 120.839 120.400 0.047 0.000 2.128 30 K HA 0.129 4.449 4.320 0.000 0.000 0.202 30 K C 2.134 178.747 176.600 0.022 0.000 1.050 30 K CA 0.730 57.068 56.287 0.086 0.000 0.966 30 K CB 0.037 32.641 32.500 0.173 0.000 0.759 30 K HN 0.331 nan 8.250 nan 0.000 0.454 31 K N 0.710 121.112 120.400 0.002 0.000 2.361 31 K HA 0.057 4.377 4.320 0.000 0.000 0.196 31 K C -0.045 176.441 176.600 -0.190 0.000 1.039 31 K CA 0.014 56.191 56.287 -0.183 0.000 1.001 31 K CB 0.314 32.589 32.500 -0.375 0.000 0.795 31 K HN -0.132 nan 8.250 nan 0.000 0.495 32 K N 0.421 120.644 120.400 -0.294 0.000 3.071 32 K HA -0.138 4.183 4.320 0.000 0.000 0.265 32 K C -1.061 175.322 176.600 -0.362 0.000 1.060 32 K CA 0.434 56.465 56.287 -0.427 0.000 0.767 32 K CB -2.277 30.160 32.500 -0.105 0.000 1.241 32 K HN 0.049 nan 8.250 nan 0.000 0.486 33 V N 0.258 119.940 119.914 -0.386 0.000 2.686 33 V HA 0.212 4.332 4.120 0.000 0.000 0.306 33 V C 0.081 176.196 176.094 0.035 0.000 1.065 33 V CA -1.167 61.078 62.300 -0.091 0.000 0.894 33 V CB 2.354 34.141 31.823 -0.060 0.000 1.004 33 V HN 0.431 nan 8.190 nan 0.000 0.424 34 C N 4.470 123.949 119.300 0.298 0.000 2.373 34 C HA 0.345 4.805 4.460 0.000 0.000 0.354 34 C C 1.982 177.128 174.990 0.260 0.000 1.249 34 C CA 0.268 59.515 59.018 0.381 0.000 1.784 34 C CB 0.085 28.125 27.740 0.500 0.000 2.408 34 C HN 1.101 nan 8.230 nan 0.000 0.542 35 S N 3.453 119.305 115.700 0.252 0.000 2.515 35 S HA -0.095 4.375 4.470 0.000 0.000 0.231 35 S C 1.684 176.388 174.600 0.174 0.000 0.987 35 S CA 1.410 59.731 58.200 0.203 0.000 0.936 35 S CB -0.113 63.207 63.200 0.201 0.000 0.766 35 S HN 0.829 nan 8.310 nan 0.000 0.528 36 S N 0.674 116.476 115.700 0.170 0.000 2.384 36 S HA -0.007 4.463 4.470 0.000 0.000 0.217 36 S C 1.991 176.665 174.600 0.123 0.000 1.041 36 S CA 0.761 59.040 58.200 0.132 0.000 0.948 36 S CB -0.552 62.711 63.200 0.105 0.000 0.872 36 S HN 0.885 nan 8.310 nan 0.000 0.512 37 C N 0.360 119.741 119.300 0.135 0.000 2.926 37 C HA 0.684 5.144 4.460 0.000 0.000 0.272 37 C C 1.809 176.883 174.990 0.141 0.000 1.249 37 C CA 0.262 59.344 59.018 0.107 0.000 1.691 37 C CB -0.555 27.230 27.740 0.075 0.000 1.983 37 C HN 0.847 nan 8.230 nan 0.000 0.615 38 G N 0.317 109.231 108.800 0.190 0.000 2.176 38 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 38 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 38 G C -0.134 174.907 174.900 0.234 0.000 0.979 38 G CA 0.217 45.426 45.100 0.182 0.000 0.641 38 G HN 0.762 nan 8.290 nan 0.000 0.530 39 F N 1.742 121.762 119.950 0.117 0.000 2.623 39 F HA 0.388 4.915 4.527 0.000 0.000 0.383 39 F C 1.582 177.498 175.800 0.193 0.000 1.077 39 F CA 1.493 59.566 58.000 0.122 0.000 1.268 39 F CB 0.533 39.592 39.000 0.098 0.000 1.053 39 F HN 1.196 nan 8.300 nan 0.000 0.571 40 G N 4.473 113.075 108.800 -0.329 0.000 2.234 40 G HA2 -0.347 3.613 3.960 0.000 0.000 0.235 40 G HA3 -0.347 3.613 3.960 0.000 0.000 0.235 40 G C 1.089 175.935 174.900 -0.089 0.000 0.997 40 G CA 0.496 45.434 45.100 -0.271 0.000 0.623 40 G HN 0.791 nan 8.290 nan 0.000 0.514 41 K N -0.226 120.170 120.400 -0.008 0.000 2.380 41 K HA 0.461 4.781 4.320 0.000 0.000 0.200 41 K C 0.722 177.340 176.600 0.029 0.000 1.201 41 K CA 1.042 57.339 56.287 0.017 0.000 0.916 41 K CB 0.551 33.081 32.500 0.050 0.000 1.187 41 K HN 0.489 nan 8.250 nan 0.000 0.498 42 S N -0.758 114.975 115.700 0.055 0.000 2.547 42 S HA 0.550 5.020 4.470 0.000 0.000 0.281 42 S C 0.257 174.900 174.600 0.072 0.000 1.118 42 S CA -0.299 57.932 58.200 0.052 0.000 0.947 42 S CB 1.799 65.026 63.200 0.044 0.000 1.053 42 S HN 0.303 nan 8.310 nan 0.000 0.482 43 A N 4.677 127.529 122.820 0.053 0.000 1.933 43 A HA 0.109 4.429 4.320 0.000 0.000 0.218 43 A C 1.032 178.645 177.584 0.049 0.000 1.175 43 A CA 1.091 53.165 52.037 0.062 0.000 0.628 43 A CB -0.390 18.633 19.000 0.039 0.000 0.814 43 A HN 0.773 nan 8.150 nan 0.000 0.444 44 K N 0.077 120.491 120.400 0.024 0.000 2.138 44 K HA 0.268 4.588 4.320 0.000 0.000 0.251 44 K C -0.162 176.439 176.600 0.001 0.000 1.015 44 K CA -0.602 55.684 56.287 -0.001 0.000 0.917 44 K CB 0.412 32.896 32.500 -0.026 0.000 1.021 44 K HN 0.147 nan 8.250 nan 0.000 0.485 45 R N 2.226 122.712 120.500 -0.024 0.000 2.340 45 R HA 0.078 4.418 4.340 0.000 0.000 0.300 45 R C 0.118 176.372 176.300 -0.077 0.000 1.069 45 R CA -0.260 55.823 56.100 -0.028 0.000 0.984 45 R CB 0.752 31.028 30.300 -0.041 0.000 1.003 45 R HN 0.569 nan 8.270 nan 0.000 0.459 46 R N 2.163 122.636 120.500 -0.045 0.000 2.502 46 R HA -0.091 4.249 4.340 0.000 0.000 0.292 46 R C -0.859 175.316 176.300 -0.209 0.000 0.998 46 R CA 0.829 56.869 56.100 -0.100 0.000 1.056 46 R CB 0.197 30.532 30.300 0.057 0.000 0.939 46 R HN 0.491 nan 8.270 nan 0.000 0.411 47 D N 2.968 123.064 120.400 -0.507 0.000 2.803 47 D HA 0.309 4.949 4.640 0.000 0.000 0.218 47 D C -1.906 173.835 176.300 -0.932 0.000 1.245 47 D CA -0.297 53.406 54.000 -0.496 0.000 0.821 47 D CB 0.798 41.406 40.800 -0.321 0.000 1.626 47 D HN 0.391 nan 8.370 nan 0.000 0.487 48 Y N 0.893 120.902 120.300 -0.485 0.000 2.534 48 Y HA 0.264 4.814 4.550 0.000 0.000 0.345 48 Y C 1.082 176.610 175.900 -0.619 0.000 1.031 48 Y CA -0.799 56.867 58.100 -0.723 0.000 1.022 48 Y CB 2.124 39.623 38.460 -1.602 0.000 1.292 48 Y HN 0.217 nan 8.280 nan 0.000 0.459 49 E N 1.924 121.981 120.200 -0.238 0.000 2.347 49 E HA -0.117 4.233 4.350 0.000 0.000 0.196 49 E C 1.436 178.038 176.600 0.004 0.000 1.008 49 E CA 0.874 57.221 56.400 -0.088 0.000 0.852 49 E CB -0.003 29.702 29.700 0.009 0.000 0.783 49 E HN 0.834 nan 8.360 nan 0.000 0.505 50 W N 0.492 121.856 121.300 0.107 0.000 3.077 50 W HA 0.077 4.737 4.660 0.000 0.000 0.245 50 W C 0.705 177.257 176.519 0.055 0.000 1.316 50 W CA -0.127 57.254 57.345 0.061 0.000 1.537 50 W CB -0.478 29.001 29.460 0.032 0.000 1.131 50 W HN 0.022 nan 8.180 nan 0.000 0.695 51 Q N 1.828 121.646 119.800 0.030 0.000 2.482 51 Q HA -0.013 4.327 4.340 0.000 0.000 0.209 51 Q C 0.717 176.765 176.000 0.080 0.000 0.961 51 Q CA 0.778 56.617 55.803 0.060 0.000 0.945 51 Q CB 0.093 28.749 28.738 -0.137 0.000 1.012 51 Q HN 0.223 nan 8.270 nan 0.000 0.515 52 S N -1.347 114.406 115.700 0.087 0.000 2.607 52 S HA 0.428 4.898 4.470 0.000 0.000 0.273 52 S C -0.871 173.778 174.600 0.081 0.000 1.148 52 S CA -1.248 56.991 58.200 0.066 0.000 0.833 52 S CB 1.720 64.937 63.200 0.028 0.000 1.130 52 S HN -0.186 nan 8.310 nan 0.000 0.470 53 K N 1.015 121.451 120.400 0.061 0.000 2.436 53 K HA 0.316 4.636 4.320 0.000 0.000 0.275 53 K C 1.679 178.311 176.600 0.053 0.000 0.999 53 K CA 0.503 56.824 56.287 0.057 0.000 0.980 53 K CB 0.491 33.015 32.500 0.040 0.000 0.919 53 K HN 0.841 nan 8.250 nan 0.000 0.484 54 A N 3.153 126.007 122.820 0.056 0.000 1.915 54 A HA -0.179 4.141 4.320 0.000 0.000 0.220 54 A C 1.587 179.193 177.584 0.036 0.000 1.198 54 A CA 2.319 54.387 52.037 0.051 0.000 0.647 54 A CB -0.641 18.389 19.000 0.049 0.000 0.825 54 A HN 0.746 nan 8.150 nan 0.000 0.456 55 G N -1.088 107.730 108.800 0.029 0.000 3.678 55 G HA2 0.452 4.412 3.960 0.000 0.000 0.287 55 G HA3 0.452 4.412 3.960 0.000 0.000 0.287 55 G C -0.002 174.908 174.900 0.018 0.000 1.280 55 G CA 0.566 45.678 45.100 0.021 0.000 1.118 55 G HN 0.645 nan 8.290 nan 0.000 0.563 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