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 1w2b_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 0.000 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 1.227 110.027 108.800 0.000 0.000 2.669 2 G HA2 0.287 4.247 3.960 0.000 0.000 0.227 2 G HA3 0.287 4.247 3.960 0.000 0.000 0.227 2 G C 1.045 175.945 174.900 0.000 0.000 1.210 2 G CA 0.117 45.217 45.100 0.000 0.000 0.855 2 G HN 1.066 nan 8.290 nan 0.000 0.551 3 A N 1.909 124.729 122.820 0.000 0.000 2.238 3 A HA 0.500 4.820 4.320 0.000 0.000 0.210 3 A C 1.791 179.376 177.584 0.001 0.000 1.179 3 A CA 1.264 53.301 52.037 0.000 0.000 0.827 3 A CB -0.152 18.848 19.000 -0.000 0.000 0.856 3 A HN 1.078 nan 8.150 nan 0.000 0.488 4 G N -0.700 108.100 108.800 0.000 0.000 3.152 4 G HA2 0.250 4.210 3.960 0.000 0.000 0.157 4 G HA3 0.250 4.210 3.960 0.000 0.000 0.157 4 G C 1.204 176.105 174.900 0.001 0.000 1.786 4 G CA 0.928 46.028 45.100 0.001 0.000 1.055 4 G HN 0.191 nan 8.290 nan 0.000 0.528 5 T N 2.918 117.473 114.554 0.001 0.000 2.527 5 T HA -0.185 4.165 4.350 0.000 0.000 0.258 5 T C 0.175 174.876 174.700 0.002 0.000 1.175 5 T CA 2.542 64.643 62.100 0.002 0.000 1.168 5 T CB -1.468 67.401 68.868 0.001 0.000 0.860 5 T HN 0.427 nan 8.240 nan 0.000 0.429 6 P HA -0.121 nan 4.420 nan 0.000 0.217 6 P C 1.365 178.667 177.300 0.002 0.000 1.162 6 P CA 1.606 64.707 63.100 0.002 0.000 0.901 6 P CB -0.289 31.411 31.700 0.001 0.000 0.793 7 S N -0.451 115.251 115.700 0.003 0.000 2.660 7 S HA -0.028 4.442 4.470 0.000 0.000 0.228 7 S C 1.695 176.298 174.600 0.005 0.000 0.966 7 S CA 0.457 58.659 58.200 0.003 0.000 0.940 7 S CB -0.528 62.674 63.200 0.003 0.000 0.773 7 S HN 0.212 nan 8.310 nan 0.000 0.535 8 Q N 0.357 120.160 119.800 0.004 0.000 2.354 8 Q HA 0.161 4.501 4.340 0.000 0.000 0.203 8 Q C 2.261 178.264 176.000 0.006 0.000 0.933 8 Q CA 0.639 56.445 55.803 0.005 0.000 0.901 8 Q CB -0.770 27.971 28.738 0.005 0.000 1.007 8 Q HN 0.559 nan 8.270 nan 0.000 0.495 9 G N 1.808 110.610 108.800 0.005 0.000 2.459 9 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 9 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 9 G C 1.348 176.251 174.900 0.005 0.000 1.183 9 G CA 0.697 45.800 45.100 0.004 0.000 0.776 9 G HN 0.323 nan 8.290 nan 0.000 0.552 10 K N 0.725 121.128 120.400 0.005 0.000 2.442 10 K HA -0.032 4.288 4.320 0.000 0.000 0.199 10 K C 0.857 177.461 176.600 0.006 0.000 1.044 10 K CA 0.438 56.728 56.287 0.005 0.000 0.941 10 K CB -0.010 32.493 32.500 0.005 0.000 0.759 10 K HN 0.210 nan 8.250 nan 0.000 0.472 11 K N 2.895 123.299 120.400 0.008 0.000 2.307 11 K HA -0.032 4.288 4.320 0.000 0.000 0.219 11 K C 0.233 176.839 176.600 0.009 0.000 1.220 11 K CA 0.152 56.446 56.287 0.011 0.000 1.208 11 K CB -0.409 32.098 32.500 0.012 0.000 1.270 11 K HN 0.278 nan 8.250 nan 0.000 0.225 12 N N -0.095 118.609 118.700 0.007 0.000 2.365 12 N HA -0.000 4.740 4.740 0.000 0.000 0.257 12 N C -0.672 174.839 175.510 0.001 0.000 1.287 12 N CA -0.394 52.658 53.050 0.005 0.000 0.882 12 N CB 0.710 39.199 38.487 0.003 0.000 1.250 12 N HN -0.119 nan 8.380 nan 0.000 0.507 13 T N 0.518 115.073 114.554 0.002 0.000 2.907 13 T HA 0.352 4.702 4.350 0.000 0.000 0.284 13 T C -0.219 174.473 174.700 -0.014 0.000 1.004 13 T CA 0.165 62.261 62.100 -0.008 0.000 1.063 13 T CB 1.594 70.458 68.868 -0.007 0.000 0.992 13 T HN 0.027 nan 8.240 nan 0.000 0.483 14 T N 2.267 116.801 114.554 -0.034 0.000 2.795 14 T HA 0.534 4.884 4.350 0.000 0.000 0.282 14 T C 1.015 175.642 174.700 -0.122 0.000 0.980 14 T CA -0.611 61.461 62.100 -0.048 0.000 1.012 14 T CB 1.235 70.079 68.868 -0.039 0.000 0.936 14 T HN 0.873 nan 8.240 nan 0.000 0.457 15 T N -0.706 113.752 114.554 -0.159 0.000 3.451 15 T HA 0.195 4.545 4.350 0.000 0.000 0.201 15 T C 0.357 174.797 174.700 -0.434 0.000 0.965 15 T CA -0.359 61.470 62.100 -0.451 0.000 1.088 15 T CB -0.202 68.367 68.868 -0.499 0.000 1.251 15 T HN 0.553 nan 8.240 nan 0.000 0.325 16 H N 3.273 122.243 119.070 -0.166 0.000 2.848 16 H HA 0.496 5.052 4.556 0.000 0.000 0.341 16 H C 0.270 175.611 175.328 0.022 0.000 1.060 16 H CA 1.145 57.185 56.048 -0.014 0.000 1.444 16 H CB 0.667 30.470 29.762 0.069 0.000 1.446 16 H HN 0.754 nan 8.280 nan 0.000 0.583 17 T N -0.514 114.149 114.554 0.182 0.000 2.841 17 T HA 0.220 4.570 4.350 0.000 0.000 0.296 17 T C -0.152 174.672 174.700 0.207 0.000 1.166 17 T CA -1.376 60.828 62.100 0.173 0.000 1.007 17 T CB 1.983 70.945 68.868 0.156 0.000 1.253 17 T HN 0.304 nan 8.240 nan 0.000 0.511 18 K N 1.354 121.838 120.400 0.140 0.000 2.255 18 K HA 0.143 4.463 4.320 0.000 0.000 0.269 18 K C 0.380 177.038 176.600 0.096 0.000 1.158 18 K CA -0.235 56.113 56.287 0.101 0.000 1.155 18 K CB -1.341 31.195 32.500 0.060 0.000 0.889 18 K HN 0.767 nan 8.250 nan 0.000 0.440 19 C N 5.058 124.426 119.300 0.113 0.000 2.538 19 C HA 0.044 4.504 4.460 0.000 0.000 0.408 19 C C 1.946 176.878 174.990 -0.097 0.000 1.421 19 C CA -0.262 58.772 59.018 0.026 0.000 1.642 19 C CB -0.278 27.520 27.740 0.097 0.000 2.553 19 C HN 1.072 nan 8.230 nan 0.000 0.604 20 R N 3.092 123.461 120.500 -0.219 0.000 2.120 20 R HA -0.082 4.258 4.340 0.000 0.000 0.234 20 R C 2.441 178.539 176.300 -0.337 0.000 1.123 20 R CA 1.573 57.533 56.100 -0.234 0.000 0.975 20 R CB -0.304 29.861 30.300 -0.225 0.000 0.866 20 R HN 0.875 nan 8.270 nan 0.000 0.446 21 R N -0.006 120.198 120.500 -0.492 0.000 2.100 21 R HA -0.082 4.258 4.340 0.000 0.000 0.220 21 R C 2.363 178.520 176.300 -0.238 0.000 1.091 21 R CA 1.592 57.383 56.100 -0.516 0.000 0.986 21 R CB -0.080 29.750 30.300 -0.784 0.000 0.888 21 R HN 0.463 nan 8.270 nan 0.000 0.444 22 C N -3.177 116.045 119.300 -0.131 0.000 2.406 22 C HA 0.529 4.989 4.460 0.000 0.000 0.343 22 C C 1.564 176.530 174.990 -0.040 0.000 1.397 22 C CA 0.611 59.593 59.018 -0.060 0.000 2.069 22 C CB 0.587 28.324 27.740 -0.005 0.000 2.374 22 C HN 0.577 nan 8.230 nan 0.000 0.545 23 G N 0.649 109.435 108.800 -0.023 0.000 2.175 23 G HA2 -0.044 3.916 3.960 0.000 0.000 0.182 23 G HA3 -0.044 3.916 3.960 0.000 0.000 0.182 23 G C -0.441 174.471 174.900 0.021 0.000 1.003 23 G CA 0.119 45.214 45.100 -0.009 0.000 0.666 23 G HN 0.587 nan 8.290 nan 0.000 0.506 24 E N 0.190 120.416 120.200 0.043 0.000 2.248 24 E HA 0.330 4.680 4.350 0.000 0.000 0.272 24 E C 0.246 176.905 176.600 0.099 0.000 1.008 24 E CA -0.770 55.669 56.400 0.065 0.000 0.856 24 E CB 1.388 31.132 29.700 0.074 0.000 1.120 24 E HN 0.264 nan 8.360 nan 0.000 0.397 25 K N 1.304 121.764 120.400 0.099 0.000 3.216 25 K HA 0.114 4.434 4.320 0.000 0.000 0.277 25 K C -0.261 176.458 176.600 0.199 0.000 1.246 25 K CA 0.137 56.503 56.287 0.132 0.000 1.227 25 K CB -0.257 32.300 32.500 0.095 0.000 1.487 25 K HN 0.151 nan 8.250 nan 0.000 0.341 26 S N 0.608 116.457 115.700 0.248 0.000 2.629 26 S HA 0.030 4.500 4.470 0.000 0.000 0.236 26 S C -0.674 174.179 174.600 0.422 0.000 1.010 26 S CA -0.496 57.924 58.200 0.368 0.000 0.981 26 S CB -0.044 63.316 63.200 0.268 0.000 0.919 26 S HN 0.429 nan 8.310 nan 0.000 0.514 27 Y N 3.408 123.819 120.300 0.184 0.000 2.539 27 Y HA 0.284 4.834 4.550 0.000 0.000 0.352 27 Y C 0.284 176.199 175.900 0.026 0.000 1.004 27 Y CA -1.458 56.718 58.100 0.125 0.000 1.278 27 Y CB -0.379 38.158 38.460 0.128 0.000 1.136 27 Y HN 0.186 nan 8.280 nan 0.000 0.528 28 H N 4.113 122.950 119.070 -0.388 0.000 3.224 28 H HA 0.069 4.625 4.556 0.000 0.000 0.265 28 H C 1.474 176.454 175.328 -0.581 0.000 1.461 28 H CA 0.652 56.369 56.048 -0.551 0.000 1.509 28 H CB 0.345 29.792 29.762 -0.525 0.000 1.686 28 H HN 0.817 nan 8.280 nan 0.000 0.514 29 T N 2.978 117.195 114.554 -0.562 0.000 3.093 29 T HA -0.112 4.238 4.350 0.000 0.000 0.270 29 T C 1.678 176.190 174.700 -0.314 0.000 1.170 29 T CA 1.216 63.058 62.100 -0.430 0.000 1.072 29 T CB -0.199 68.545 68.868 -0.208 0.000 0.863 29 T HN 0.503 nan 8.240 nan 0.000 0.562 30 K N 0.268 120.487 120.400 -0.302 0.000 2.214 30 K HA 0.166 4.486 4.320 0.000 0.000 0.201 30 K C 2.047 178.637 176.600 -0.016 0.000 1.049 30 K CA 0.718 56.944 56.287 -0.102 0.000 0.978 30 K CB 0.080 32.561 32.500 -0.031 0.000 0.842 30 K HN 0.342 nan 8.250 nan 0.000 0.474 31 K N 0.666 121.107 120.400 0.068 0.000 2.356 31 K HA 0.093 4.413 4.320 0.000 0.000 0.195 31 K C -0.109 176.395 176.600 -0.160 0.000 1.037 31 K CA -0.038 56.218 56.287 -0.052 0.000 1.014 31 K CB 0.395 32.834 32.500 -0.103 0.000 0.815 31 K HN -0.151 nan 8.250 nan 0.000 0.507 32 K N 0.511 120.708 120.400 -0.339 0.000 3.096 32 K HA -0.140 4.180 4.320 0.000 0.000 0.266 32 K C -1.028 175.377 176.600 -0.325 0.000 1.043 32 K CA 0.393 56.334 56.287 -0.578 0.000 0.758 32 K CB -2.301 30.069 32.500 -0.215 0.000 1.260 32 K HN 0.065 nan 8.250 nan 0.000 0.481 33 V N 0.230 119.986 119.914 -0.264 0.000 2.638 33 V HA 0.197 4.317 4.120 0.000 0.000 0.306 33 V C 0.048 176.233 176.094 0.151 0.000 1.052 33 V CA -1.117 61.187 62.300 0.008 0.000 0.885 33 V CB 2.408 34.217 31.823 -0.023 0.000 0.999 33 V HN 0.449 nan 8.190 nan 0.000 0.424 34 C N 4.509 124.006 119.300 0.328 0.000 2.322 34 C HA 0.260 4.720 4.460 0.000 0.000 0.343 34 C C 2.066 177.203 174.990 0.245 0.000 1.190 34 C CA 0.196 59.434 59.018 0.368 0.000 1.704 34 C CB -0.315 27.670 27.740 0.409 0.000 2.293 34 C HN 1.116 nan 8.230 nan 0.000 0.523 35 S N 3.149 118.993 115.700 0.239 0.000 2.465 35 S HA -0.130 4.340 4.470 0.000 0.000 0.241 35 S C 1.766 176.481 174.600 0.191 0.000 1.000 35 S CA 1.758 60.082 58.200 0.207 0.000 0.964 35 S CB -0.131 63.225 63.200 0.260 0.000 0.763 35 S HN 0.811 nan 8.310 nan 0.000 0.512 36 S N 0.099 115.915 115.700 0.193 0.000 2.460 36 S HA 0.027 4.497 4.470 0.000 0.000 0.226 36 S C 1.965 176.645 174.600 0.133 0.000 1.057 36 S CA 0.618 58.910 58.200 0.153 0.000 0.948 36 S CB -0.387 62.894 63.200 0.135 0.000 0.822 36 S HN 0.896 nan 8.310 nan 0.000 0.512 37 C N -0.634 118.754 119.300 0.147 0.000 3.097 37 C HA 0.698 5.158 4.460 0.000 0.000 0.335 37 C C 1.844 176.919 174.990 0.141 0.000 1.283 37 C CA 0.505 59.594 59.018 0.118 0.000 1.778 37 C CB -0.211 27.590 27.740 0.102 0.000 2.365 37 C HN 0.769 nan 8.230 nan 0.000 0.627 38 G N 0.435 109.346 108.800 0.185 0.000 2.175 38 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 38 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 38 G C -0.174 174.851 174.900 0.210 0.000 0.982 38 G CA 0.187 45.388 45.100 0.169 0.000 0.641 38 G HN 0.786 nan 8.290 nan 0.000 0.527 39 F N 1.653 121.655 119.950 0.085 0.000 2.602 39 F HA 0.414 4.941 4.527 0.000 0.000 0.367 39 F C 1.603 177.488 175.800 0.142 0.000 1.126 39 F CA 1.319 59.362 58.000 0.071 0.000 1.321 39 F CB 0.720 39.726 39.000 0.011 0.000 1.094 39 F HN 1.223 nan 8.300 nan 0.000 0.594 40 G N 4.323 112.832 108.800 -0.485 0.000 2.284 40 G HA2 -0.370 3.590 3.960 0.000 0.000 0.247 40 G HA3 -0.370 3.590 3.960 0.000 0.000 0.247 40 G C 1.195 176.024 174.900 -0.118 0.000 1.012 40 G CA 0.631 45.495 45.100 -0.394 0.000 0.618 40 G HN 0.783 nan 8.290 nan 0.000 0.521 41 K N -0.009 120.378 120.400 -0.022 0.000 2.267 41 K HA 0.416 4.736 4.320 0.000 0.000 0.213 41 K C 0.886 177.506 176.600 0.034 0.000 1.060 41 K CA 0.917 57.213 56.287 0.014 0.000 0.935 41 K CB 0.400 32.927 32.500 0.045 0.000 1.096 41 K HN 0.395 nan 8.250 nan 0.000 0.468 42 S N -0.573 115.165 115.700 0.064 0.000 2.482 42 S HA 0.503 4.973 4.470 0.000 0.000 0.303 42 S C 0.246 174.896 174.600 0.085 0.000 1.091 42 S CA -0.353 57.883 58.200 0.061 0.000 1.057 42 S CB 1.777 65.006 63.200 0.048 0.000 1.031 42 S HN 0.337 nan 8.310 nan 0.000 0.485 43 A N 4.437 127.297 122.820 0.066 0.000 2.168 43 A HA 0.189 4.509 4.320 0.000 0.000 0.215 43 A C 0.766 178.379 177.584 0.048 0.000 1.152 43 A CA 0.813 52.894 52.037 0.074 0.000 0.716 43 A CB -0.195 18.836 19.000 0.051 0.000 0.794 43 A HN 0.756 nan 8.150 nan 0.000 0.465 44 K N 0.319 120.736 120.400 0.028 0.000 2.098 44 K HA 0.401 4.721 4.320 0.000 0.000 0.258 44 K C -0.436 176.164 176.600 -0.000 0.000 0.973 44 K CA -1.023 55.264 56.287 -0.000 0.000 0.898 44 K CB 0.806 33.292 32.500 -0.023 0.000 1.057 44 K HN 0.003 nan 8.250 nan 0.000 0.447 45 R N 2.551 123.039 120.500 -0.021 0.000 2.404 45 R HA 0.001 4.341 4.340 0.000 0.000 0.315 45 R C 0.169 176.435 176.300 -0.055 0.000 1.032 45 R CA 0.077 56.164 56.100 -0.022 0.000 0.992 45 R CB -0.111 30.167 30.300 -0.036 0.000 0.959 45 R HN 0.592 nan 8.270 nan 0.000 0.428 46 R N 2.705 123.196 120.500 -0.016 0.000 2.485 46 R HA -0.104 4.236 4.340 0.000 0.000 0.304 46 R C -0.478 175.743 176.300 -0.131 0.000 0.934 46 R CA 1.003 57.080 56.100 -0.039 0.000 1.102 46 R CB 0.249 30.613 30.300 0.107 0.000 0.906 46 R HN 0.621 nan 8.270 nan 0.000 0.407 47 D N 3.292 123.446 120.400 -0.409 0.000 2.654 47 D HA 0.262 4.902 4.640 0.000 0.000 0.231 47 D C -1.727 173.997 176.300 -0.960 0.000 1.239 47 D CA -0.426 53.312 54.000 -0.436 0.000 0.790 47 D CB 1.203 41.834 40.800 -0.282 0.000 1.480 47 D HN 0.463 nan 8.370 nan 0.000 0.442 48 Y N 0.442 120.458 120.300 -0.474 0.000 2.544 48 Y HA 0.194 4.744 4.550 0.000 0.000 0.342 48 Y C 1.088 176.626 175.900 -0.602 0.000 1.062 48 Y CA -0.748 56.921 58.100 -0.718 0.000 1.023 48 Y CB 1.955 39.462 38.460 -1.588 0.000 1.308 48 Y HN 0.219 nan 8.280 nan 0.000 0.457 49 E N 1.761 121.794 120.200 -0.277 0.000 2.418 49 E HA -0.101 4.249 4.350 0.000 0.000 0.197 49 E C 1.101 177.701 176.600 0.001 0.000 1.026 49 E CA 0.789 57.127 56.400 -0.103 0.000 0.862 49 E CB 0.058 29.755 29.700 -0.005 0.000 0.799 49 E HN 0.817 nan 8.360 nan 0.000 0.518 50 W N 0.207 121.577 121.300 0.116 0.000 3.290 50 W HA 0.184 4.844 4.660 0.000 0.000 0.287 50 W C 0.606 177.162 176.519 0.062 0.000 1.288 50 W CA -0.310 57.077 57.345 0.070 0.000 1.725 50 W CB -0.313 29.175 29.460 0.046 0.000 1.103 50 W HN -0.041 nan 8.180 nan 0.000 0.670 51 Q N 2.186 122.014 119.800 0.047 0.000 2.431 51 Q HA 0.018 4.358 4.340 0.000 0.000 0.210 51 Q C 0.385 176.441 176.000 0.095 0.000 0.958 51 Q CA 0.593 56.450 55.803 0.090 0.000 0.957 51 Q CB 0.028 28.710 28.738 -0.094 0.000 1.007 51 Q HN 0.207 nan 8.270 nan 0.000 0.511 52 S N -1.293 114.474 115.700 0.112 0.000 2.543 52 S HA 0.329 4.799 4.470 0.000 0.000 0.274 52 S C -0.846 173.810 174.600 0.094 0.000 1.149 52 S CA -1.271 56.977 58.200 0.080 0.000 0.866 52 S CB 1.513 64.735 63.200 0.037 0.000 1.111 52 S HN -0.128 nan 8.310 nan 0.000 0.457 53 K N 1.184 121.629 120.400 0.074 0.000 2.542 53 K HA 0.174 4.494 4.320 0.000 0.000 0.276 53 K C 1.805 178.443 176.600 0.063 0.000 0.963 53 K CA 0.646 56.973 56.287 0.067 0.000 0.975 53 K CB 0.048 32.577 32.500 0.047 0.000 0.901 53 K HN 0.907 nan 8.250 nan 0.000 0.506 54 A N 2.651 125.509 122.820 0.063 0.000 1.903 54 A HA -0.156 4.164 4.320 0.000 0.000 0.219 54 A C 1.602 179.210 177.584 0.040 0.000 1.191 54 A CA 2.252 54.323 52.037 0.057 0.000 0.638 54 A CB -0.581 18.449 19.000 0.051 0.000 0.823 54 A HN 0.742 nan 8.150 nan 0.000 0.451 55 G N -0.990 107.829 108.800 0.032 0.000 3.814 55 G HA2 0.464 4.424 3.960 0.000 0.000 0.293 55 G HA3 0.464 4.424 3.960 0.000 0.000 0.293 55 G C -0.037 174.875 174.900 0.020 0.000 1.243 55 G CA 0.427 45.541 45.100 0.024 0.000 1.053 55 G HN 0.583 nan 8.290 nan 0.000 0.562 56 E N 0.000 120.213 120.200 0.022 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.410 56.400 0.017 0.000 0.000 56 E CB 0.000 29.712 29.700 0.020 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000