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 1m1k_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 68.868 68.868 0.001 0.000 0.612 2 G N 0.717 109.518 108.800 0.001 0.000 2.432 2 G HA2 0.454 4.414 3.960 0.000 0.000 0.239 2 G HA3 0.454 4.414 3.960 0.000 0.000 0.239 2 G C 1.081 175.982 174.900 0.001 0.000 1.291 2 G CA 0.008 45.109 45.100 0.001 0.000 0.863 2 G HN 1.031 nan 8.290 nan 0.000 0.560 3 A N 1.965 124.786 122.820 0.001 0.000 2.167 3 A HA 0.335 4.655 4.320 0.000 0.000 0.214 3 A C 1.825 179.410 177.584 0.002 0.000 1.151 3 A CA 1.473 53.511 52.037 0.002 0.000 0.735 3 A CB -0.299 18.701 19.000 0.001 0.000 0.802 3 A HN 0.917 nan 8.150 nan 0.000 0.467 4 G N -1.182 107.619 108.800 0.002 0.000 3.229 4 G HA2 0.262 4.222 3.960 0.000 0.000 0.165 4 G HA3 0.262 4.222 3.960 0.000 0.000 0.165 4 G C 1.183 176.084 174.900 0.003 0.000 1.753 4 G CA 0.854 45.955 45.100 0.002 0.000 1.054 4 G HN 0.193 nan 8.290 nan 0.000 0.544 5 T N 2.817 117.373 114.554 0.003 0.000 2.564 5 T HA -0.167 4.183 4.350 0.000 0.000 0.264 5 T C 0.118 174.820 174.700 0.003 0.000 1.100 5 T CA 2.392 64.494 62.100 0.003 0.000 1.171 5 T CB -1.309 67.561 68.868 0.002 0.000 0.863 5 T HN 0.423 nan 8.240 nan 0.000 0.430 6 P HA -0.015 nan 4.420 nan 0.000 0.220 6 P C 1.199 178.500 177.300 0.003 0.000 1.144 6 P CA 1.177 64.278 63.100 0.002 0.000 0.800 6 P CB -0.122 31.579 31.700 0.002 0.000 0.772 7 S N -0.632 115.070 115.700 0.003 0.000 2.558 7 S HA 0.026 4.496 4.470 0.000 0.000 0.217 7 S C 1.687 176.290 174.600 0.004 0.000 0.975 7 S CA 0.318 58.520 58.200 0.003 0.000 0.912 7 S CB -0.306 62.896 63.200 0.004 0.000 0.776 7 S HN 0.156 nan 8.310 nan 0.000 0.526 8 Q N 0.675 120.478 119.800 0.004 0.000 2.451 8 Q HA 0.159 4.499 4.340 0.000 0.000 0.206 8 Q C 2.013 178.016 176.000 0.005 0.000 0.947 8 Q CA 0.502 56.308 55.803 0.005 0.000 0.937 8 Q CB -0.722 28.020 28.738 0.005 0.000 1.025 8 Q HN 0.569 nan 8.270 nan 0.000 0.511 9 G N 0.972 109.774 108.800 0.004 0.000 2.484 9 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 9 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 9 G C 1.278 176.179 174.900 0.003 0.000 1.130 9 G CA 0.138 45.240 45.100 0.003 0.000 0.784 9 G HN 0.288 nan 8.290 nan 0.000 0.543 10 K N 0.332 120.734 120.400 0.003 0.000 2.444 10 K HA 0.099 4.420 4.320 0.000 0.000 0.193 10 K C 0.457 177.059 176.600 0.003 0.000 1.024 10 K CA 0.044 56.333 56.287 0.003 0.000 1.077 10 K CB 0.302 32.804 32.500 0.003 0.000 0.833 10 K HN 0.142 nan 8.250 nan 0.000 0.517 11 K N 2.877 123.280 120.400 0.004 0.000 2.243 11 K HA 0.019 4.339 4.320 0.000 0.000 0.232 11 K C 0.138 176.740 176.600 0.003 0.000 1.237 11 K CA -0.066 56.223 56.287 0.004 0.000 1.161 11 K CB -0.215 32.289 32.500 0.007 0.000 1.505 11 K HN 0.174 nan 8.250 nan 0.000 0.271 12 N N -0.146 118.554 118.700 0.000 0.000 2.416 12 N HA 0.005 4.745 4.740 0.000 0.000 0.267 12 N C -0.746 174.760 175.510 -0.006 0.000 1.294 12 N CA -0.427 52.623 53.050 -0.001 0.000 0.891 12 N CB 0.700 39.187 38.487 0.000 0.000 1.238 12 N HN -0.123 nan 8.380 nan 0.000 0.508 13 T N 0.413 114.961 114.554 -0.010 0.000 2.829 13 T HA 0.342 4.692 4.350 0.000 0.000 0.282 13 T C -0.334 174.345 174.700 -0.035 0.000 0.990 13 T CA -0.010 62.078 62.100 -0.021 0.000 1.028 13 T CB 1.390 70.244 68.868 -0.022 0.000 0.951 13 T HN 0.061 nan 8.240 nan 0.000 0.460 14 T N 2.841 117.367 114.554 -0.046 0.000 2.771 14 T HA 0.432 4.782 4.350 0.000 0.000 0.291 14 T C 1.252 175.867 174.700 -0.141 0.000 0.954 14 T CA -0.546 61.517 62.100 -0.062 0.000 1.045 14 T CB 0.996 69.844 68.868 -0.033 0.000 0.917 14 T HN 0.853 nan 8.240 nan 0.000 0.484 15 T N -0.375 114.048 114.554 -0.219 0.000 3.447 15 T HA 0.166 4.516 4.350 0.000 0.000 0.218 15 T C 0.407 174.770 174.700 -0.562 0.000 0.972 15 T CA -0.279 61.491 62.100 -0.550 0.000 1.264 15 T CB -0.140 68.289 68.868 -0.731 0.000 1.284 15 T HN 0.538 nan 8.240 nan 0.000 0.361 16 H N 3.419 122.339 119.070 -0.251 0.000 2.819 16 H HA 0.509 5.065 4.556 0.000 0.000 0.303 16 H C 0.286 175.614 175.328 0.000 0.000 1.058 16 H CA 0.621 56.614 56.048 -0.093 0.000 1.471 16 H CB 0.639 30.384 29.762 -0.028 0.000 1.480 16 H HN 0.697 nan 8.280 nan 0.000 0.517 17 T N -0.130 114.537 114.554 0.189 0.000 2.907 17 T HA 0.308 4.658 4.350 0.000 0.000 0.290 17 T C 0.081 174.905 174.700 0.206 0.000 1.066 17 T CA -1.357 60.850 62.100 0.179 0.000 1.012 17 T CB 2.150 71.124 68.868 0.177 0.000 1.184 17 T HN 0.275 nan 8.240 nan 0.000 0.522 18 K N 0.613 121.091 120.400 0.130 0.000 2.466 18 K HA 0.160 4.480 4.320 0.000 0.000 0.278 18 K C -0.103 176.547 176.600 0.083 0.000 1.048 18 K CA -0.270 56.070 56.287 0.089 0.000 1.088 18 K CB -0.545 31.980 32.500 0.042 0.000 0.884 18 K HN 0.777 nan 8.250 nan 0.000 0.478 19 C N 6.693 126.043 119.300 0.083 0.000 2.482 19 C HA 0.244 4.704 4.460 0.000 0.000 0.378 19 C C 1.876 176.789 174.990 -0.129 0.000 1.284 19 C CA -0.561 58.470 59.018 0.022 0.000 1.826 19 C CB -0.383 27.431 27.740 0.124 0.000 2.473 19 C HN 1.117 nan 8.230 nan 0.000 0.562 20 R N 3.075 123.414 120.500 -0.270 0.000 2.113 20 R HA -0.161 4.179 4.340 0.000 0.000 0.244 20 R C 2.440 178.499 176.300 -0.401 0.000 1.142 20 R CA 2.099 58.005 56.100 -0.322 0.000 0.953 20 R CB -0.270 29.804 30.300 -0.376 0.000 0.860 20 R HN 0.862 nan 8.270 nan 0.000 0.438 21 R N -0.020 120.115 120.500 -0.608 0.000 2.055 21 R HA -0.104 4.236 4.340 0.000 0.000 0.226 21 R C 2.375 178.531 176.300 -0.239 0.000 1.135 21 R CA 1.789 57.563 56.100 -0.544 0.000 0.959 21 R CB -0.232 29.594 30.300 -0.791 0.000 0.854 21 R HN 0.518 nan 8.270 nan 0.000 0.431 22 C N -1.810 117.411 119.300 -0.132 0.000 2.912 22 C HA 0.494 4.954 4.460 0.000 0.000 0.274 22 C C 1.489 176.455 174.990 -0.039 0.000 1.248 22 C CA 0.169 59.152 59.018 -0.057 0.000 1.694 22 C CB 0.071 27.811 27.740 -0.001 0.000 2.024 22 C HN 0.714 nan 8.230 nan 0.000 0.605 23 G N 0.803 109.577 108.800 -0.044 0.000 2.184 23 G HA2 -0.178 3.782 3.960 0.000 0.000 0.264 23 G HA3 -0.178 3.782 3.960 0.000 0.000 0.264 23 G C -0.216 174.690 174.900 0.010 0.000 0.975 23 G CA 0.602 45.687 45.100 -0.024 0.000 0.642 23 G HN 0.640 nan 8.290 nan 0.000 0.536 24 E N 0.151 120.371 120.200 0.032 0.000 2.319 24 E HA 0.293 4.643 4.350 0.000 0.000 0.268 24 E C 0.617 177.266 176.600 0.081 0.000 1.050 24 E CA -0.610 55.820 56.400 0.050 0.000 0.878 24 E CB 0.996 30.730 29.700 0.055 0.000 1.066 24 E HN 0.371 nan 8.360 nan 0.000 0.406 25 K N 1.399 121.844 120.400 0.074 0.000 2.737 25 K HA 0.131 4.451 4.320 0.000 0.000 0.251 25 K C -0.331 176.348 176.600 0.132 0.000 1.280 25 K CA 0.144 56.492 56.287 0.102 0.000 1.219 25 K CB -0.242 32.301 32.500 0.071 0.000 1.587 25 K HN 0.142 nan 8.250 nan 0.000 0.279 26 S N 0.907 116.720 115.700 0.190 0.000 2.780 26 S HA 0.020 4.490 4.470 0.000 0.000 0.248 26 S C -0.784 174.068 174.600 0.419 0.000 1.036 26 S CA -0.502 57.838 58.200 0.234 0.000 1.061 26 S CB -0.035 63.248 63.200 0.138 0.000 1.037 26 S HN 0.509 nan 8.310 nan 0.000 0.584 27 Y N 3.635 124.076 120.300 0.236 0.000 2.584 27 Y HA 0.261 4.811 4.550 0.000 0.000 0.351 27 Y C 0.378 176.389 175.900 0.184 0.000 1.030 27 Y CA -1.023 57.210 58.100 0.221 0.000 1.332 27 Y CB -0.390 38.181 38.460 0.186 0.000 1.148 27 Y HN 0.247 nan 8.280 nan 0.000 0.528 28 H N 4.297 123.218 119.070 -0.248 0.000 3.160 28 H HA 0.034 4.590 4.556 0.000 0.000 0.257 28 H C 1.478 176.497 175.328 -0.516 0.000 1.140 28 H CA 0.661 56.447 56.048 -0.437 0.000 1.492 28 H CB 0.783 30.289 29.762 -0.427 0.000 1.529 28 H HN 0.865 nan 8.280 nan 0.000 0.490 29 T N 3.462 117.851 114.554 -0.275 0.000 2.977 29 T HA -0.100 4.250 4.350 0.000 0.000 0.271 29 T C 1.792 176.457 174.700 -0.059 0.000 1.105 29 T CA 1.181 63.200 62.100 -0.135 0.000 1.116 29 T CB -0.075 68.783 68.868 -0.016 0.000 0.878 29 T HN 0.525 nan 8.240 nan 0.000 0.509 30 K N 0.635 121.072 120.400 0.061 0.000 2.128 30 K HA 0.132 4.452 4.320 0.000 0.000 0.202 30 K C 2.177 178.793 176.600 0.027 0.000 1.050 30 K CA 0.832 57.175 56.287 0.093 0.000 0.966 30 K CB -0.020 32.587 32.500 0.179 0.000 0.759 30 K HN 0.367 nan 8.250 nan 0.000 0.454 31 K N 0.678 121.083 120.400 0.008 0.000 2.314 31 K HA 0.051 4.371 4.320 0.000 0.000 0.198 31 K C -0.103 176.359 176.600 -0.230 0.000 1.045 31 K CA -0.000 56.154 56.287 -0.222 0.000 0.988 31 K CB 0.325 32.543 32.500 -0.469 0.000 0.783 31 K HN -0.122 nan 8.250 nan 0.000 0.484 32 K N 0.397 120.587 120.400 -0.349 0.000 3.096 32 K HA -0.138 4.182 4.320 0.000 0.000 0.266 32 K C -1.025 175.325 176.600 -0.417 0.000 1.043 32 K CA 0.429 56.425 56.287 -0.485 0.000 0.758 32 K CB -2.305 30.120 32.500 -0.124 0.000 1.260 32 K HN 0.053 nan 8.250 nan 0.000 0.481 33 V N -0.058 119.573 119.914 -0.472 0.000 2.808 33 V HA 0.244 4.364 4.120 0.000 0.000 0.308 33 V C -0.055 176.035 176.094 -0.005 0.000 1.099 33 V CA -1.165 61.047 62.300 -0.148 0.000 0.920 33 V CB 2.561 34.320 31.823 -0.107 0.000 1.014 33 V HN 0.443 nan 8.190 nan 0.000 0.425 34 C N 3.605 123.047 119.300 0.236 0.000 2.369 34 C HA 0.443 4.903 4.460 0.000 0.000 0.358 34 C C 1.969 177.094 174.990 0.225 0.000 1.274 34 C CA 0.392 59.603 59.018 0.322 0.000 1.935 34 C CB 0.768 28.767 27.740 0.432 0.000 2.431 34 C HN 1.130 nan 8.230 nan 0.000 0.545 35 S N 3.171 119.010 115.700 0.232 0.000 2.561 35 S HA -0.062 4.408 4.470 0.000 0.000 0.225 35 S C 1.516 176.212 174.600 0.160 0.000 0.977 35 S CA 1.290 59.602 58.200 0.187 0.000 0.926 35 S CB -0.059 63.247 63.200 0.176 0.000 0.769 35 S HN 0.832 nan 8.310 nan 0.000 0.533 36 S N 0.409 116.203 115.700 0.158 0.000 2.444 36 S HA 0.036 4.506 4.470 0.000 0.000 0.223 36 S C 1.914 176.581 174.600 0.112 0.000 1.054 36 S CA 0.643 58.917 58.200 0.123 0.000 0.947 36 S CB -0.406 62.853 63.200 0.099 0.000 0.850 36 S HN 0.881 nan 8.310 nan 0.000 0.527 37 C N 0.102 119.481 119.300 0.132 0.000 2.912 37 C HA 0.691 5.151 4.460 0.000 0.000 0.274 37 C C 1.853 176.922 174.990 0.132 0.000 1.248 37 C CA 0.317 59.399 59.018 0.106 0.000 1.694 37 C CB -0.434 27.367 27.740 0.101 0.000 2.024 37 C HN 0.793 nan 8.230 nan 0.000 0.605 38 G N 0.376 109.279 108.800 0.172 0.000 2.176 38 G HA2 -0.274 3.686 3.960 0.000 0.000 0.253 38 G HA3 -0.274 3.686 3.960 0.000 0.000 0.253 38 G C -0.107 174.908 174.900 0.191 0.000 0.979 38 G CA 0.209 45.401 45.100 0.154 0.000 0.641 38 G HN 0.806 nan 8.290 nan 0.000 0.530 39 F N 1.754 121.770 119.950 0.110 0.000 2.623 39 F HA 0.357 4.884 4.527 0.000 0.000 0.386 39 F C 1.577 177.484 175.800 0.179 0.000 1.068 39 F CA 1.670 59.743 58.000 0.122 0.000 1.265 39 F CB 0.384 39.453 39.000 0.115 0.000 1.026 39 F HN 1.288 nan 8.300 nan 0.000 0.568 40 G N 4.373 112.841 108.800 -0.553 0.000 2.213 40 G HA2 -0.347 3.613 3.960 0.000 0.000 0.236 40 G HA3 -0.347 3.613 3.960 0.000 0.000 0.236 40 G C 1.029 175.828 174.900 -0.168 0.000 0.991 40 G CA 0.522 45.353 45.100 -0.447 0.000 0.629 40 G HN 0.836 nan 8.290 nan 0.000 0.517 41 K N -0.331 120.026 120.400 -0.071 0.000 2.412 41 K HA 0.451 4.771 4.320 0.000 0.000 0.201 41 K C 0.818 177.420 176.600 0.002 0.000 1.275 41 K CA 0.980 57.253 56.287 -0.023 0.000 0.910 41 K CB 0.531 33.038 32.500 0.012 0.000 1.346 41 K HN 0.472 nan 8.250 nan 0.000 0.490 42 S N -0.724 114.993 115.700 0.029 0.000 2.526 42 S HA 0.584 5.054 4.470 0.000 0.000 0.293 42 S C 0.333 174.971 174.600 0.063 0.000 1.092 42 S CA -0.298 57.925 58.200 0.039 0.000 0.980 42 S CB 1.823 65.045 63.200 0.037 0.000 1.048 42 S HN 0.327 nan 8.310 nan 0.000 0.483 43 A N 4.678 127.528 122.820 0.050 0.000 1.897 43 A HA 0.184 4.504 4.320 0.000 0.000 0.215 43 A C 0.929 178.545 177.584 0.053 0.000 1.181 43 A CA 0.912 52.988 52.037 0.064 0.000 0.620 43 A CB -0.467 18.558 19.000 0.042 0.000 0.821 43 A HN 0.794 nan 8.150 nan 0.000 0.443 44 K N 0.439 120.854 120.400 0.025 0.000 2.319 44 K HA 0.225 4.545 4.320 0.000 0.000 0.265 44 K C -0.150 176.452 176.600 0.003 0.000 1.000 44 K CA -0.442 55.846 56.287 0.002 0.000 0.943 44 K CB 0.383 32.871 32.500 -0.020 0.000 0.950 44 K HN 0.156 nan 8.250 nan 0.000 0.485 45 R N 2.183 122.671 120.500 -0.019 0.000 2.438 45 R HA 0.087 4.427 4.340 0.000 0.000 0.287 45 R C 0.159 176.413 176.300 -0.078 0.000 1.077 45 R CA -0.251 55.835 56.100 -0.024 0.000 1.034 45 R CB 0.691 30.970 30.300 -0.036 0.000 0.993 45 R HN 0.580 nan 8.270 nan 0.000 0.459 46 R N 1.732 122.196 120.500 -0.060 0.000 2.522 46 R HA -0.039 4.301 4.340 0.000 0.000 0.284 46 R C -0.880 175.267 176.300 -0.254 0.000 1.032 46 R CA 0.682 56.699 56.100 -0.139 0.000 1.049 46 R CB 0.261 30.564 30.300 0.004 0.000 0.956 46 R HN 0.639 nan 8.270 nan 0.000 0.422 47 D N 2.806 122.876 120.400 -0.550 0.000 2.787 47 D HA 0.247 4.887 4.640 0.000 0.000 0.215 47 D C -1.930 173.814 176.300 -0.928 0.000 1.246 47 D CA -0.372 53.302 54.000 -0.542 0.000 0.798 47 D CB 0.654 41.265 40.800 -0.315 0.000 1.649 47 D HN 0.407 nan 8.370 nan 0.000 0.507 48 Y N 0.936 120.946 120.300 -0.484 0.000 2.553 48 Y HA 0.334 4.884 4.550 0.000 0.000 0.347 48 Y C 1.030 176.568 175.900 -0.603 0.000 1.019 48 Y CA -0.858 56.836 58.100 -0.677 0.000 1.032 48 Y CB 1.998 39.580 38.460 -1.462 0.000 1.284 48 Y HN 0.269 nan 8.280 nan 0.000 0.466 49 E N 1.443 121.507 120.200 -0.226 0.000 2.358 49 E HA -0.093 4.257 4.350 0.000 0.000 0.195 49 E C 1.281 177.883 176.600 0.004 0.000 1.010 49 E CA 0.681 57.031 56.400 -0.083 0.000 0.856 49 E CB 0.009 29.722 29.700 0.022 0.000 0.795 49 E HN 0.822 nan 8.360 nan 0.000 0.504 50 W N 0.489 121.853 121.300 0.107 0.000 3.256 50 W HA 0.143 4.803 4.660 0.000 0.000 0.269 50 W C 0.771 177.325 176.519 0.058 0.000 1.310 50 W CA -0.202 57.180 57.345 0.061 0.000 1.673 50 W CB -0.398 29.080 29.460 0.031 0.000 1.115 50 W HN 0.007 nan 8.180 nan 0.000 0.686 51 Q N 1.828 121.603 119.800 -0.041 0.000 2.482 51 Q HA -0.019 4.321 4.340 0.000 0.000 0.209 51 Q C 0.803 176.839 176.000 0.061 0.000 0.961 51 Q CA 0.887 56.690 55.803 -0.000 0.000 0.945 51 Q CB 0.152 28.762 28.738 -0.213 0.000 1.012 51 Q HN 0.211 nan 8.270 nan 0.000 0.515 52 S N -1.162 114.579 115.700 0.068 0.000 2.607 52 S HA 0.438 4.908 4.470 0.000 0.000 0.273 52 S C -0.762 173.883 174.600 0.076 0.000 1.148 52 S CA -1.231 57.002 58.200 0.055 0.000 0.833 52 S CB 1.857 65.068 63.200 0.018 0.000 1.130 52 S HN -0.191 nan 8.310 nan 0.000 0.470 53 K N 0.871 121.306 120.400 0.059 0.000 2.469 53 K HA 0.286 4.606 4.320 0.000 0.000 0.274 53 K C 1.667 178.299 176.600 0.053 0.000 0.983 53 K CA 0.513 56.834 56.287 0.057 0.000 0.974 53 K CB 0.319 32.843 32.500 0.040 0.000 0.913 53 K HN 0.841 nan 8.250 nan 0.000 0.493 54 A N 2.760 125.614 122.820 0.058 0.000 1.927 54 A HA -0.150 4.170 4.320 0.000 0.000 0.220 54 A C 1.574 179.180 177.584 0.037 0.000 1.185 54 A CA 2.223 54.292 52.037 0.053 0.000 0.639 54 A CB -0.573 18.457 19.000 0.050 0.000 0.820 54 A HN 0.730 nan 8.150 nan 0.000 0.451 55 G N -0.928 107.889 108.800 0.030 0.000 3.678 55 G HA2 0.449 4.409 3.960 0.000 0.000 0.287 55 G HA3 0.449 4.409 3.960 0.000 0.000 0.287 55 G C -0.018 174.892 174.900 0.018 0.000 1.280 55 G CA 0.515 45.627 45.100 0.021 0.000 1.118 55 G HN 0.625 nan 8.290 nan 0.000 0.563 56 E N 0.000 120.211 120.200 0.018 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.407 56.400 0.012 0.000 0.000 56 E CB 0.000 29.709 29.700 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000