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 1q82_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 0.000 174.701 174.700 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 0.516 109.317 108.800 0.001 0.000 2.406 2 G HA2 0.481 4.441 3.960 0.000 0.000 0.251 2 G HA3 0.481 4.441 3.960 0.000 0.000 0.251 2 G C 0.985 175.886 174.900 0.002 0.000 1.271 2 G CA -0.009 45.091 45.100 0.001 0.000 0.859 2 G HN 1.021 nan 8.290 nan 0.000 0.540 3 A N 2.238 125.059 122.820 0.001 0.000 2.238 3 A HA 0.375 4.695 4.320 0.000 0.000 0.208 3 A C 1.781 179.366 177.584 0.002 0.000 1.177 3 A CA 1.211 53.249 52.037 0.002 0.000 0.804 3 A CB -0.218 18.783 19.000 0.002 0.000 0.823 3 A HN 0.870 nan 8.150 nan 0.000 0.482 4 G N -1.003 107.798 108.800 0.002 0.000 3.229 4 G HA2 0.230 4.190 3.960 0.000 0.000 0.165 4 G HA3 0.230 4.190 3.960 0.000 0.000 0.165 4 G C 1.198 176.099 174.900 0.003 0.000 1.753 4 G CA 0.876 45.977 45.100 0.002 0.000 1.054 4 G HN 0.191 nan 8.290 nan 0.000 0.544 5 T N 2.721 117.277 114.554 0.002 0.000 2.592 5 T HA -0.143 4.207 4.350 0.000 0.000 0.267 5 T C 0.119 174.821 174.700 0.003 0.000 1.060 5 T CA 2.262 64.363 62.100 0.003 0.000 1.167 5 T CB -1.152 67.717 68.868 0.002 0.000 0.863 5 T HN 0.395 nan 8.240 nan 0.000 0.431 6 P HA 0.016 nan 4.420 nan 0.000 0.221 6 P C 1.112 178.414 177.300 0.003 0.000 1.145 6 P CA 1.087 64.189 63.100 0.002 0.000 0.795 6 P CB -0.080 31.621 31.700 0.002 0.000 0.775 7 S N -0.654 115.048 115.700 0.003 0.000 2.575 7 S HA 0.040 4.510 4.470 0.000 0.000 0.215 7 S C 1.721 176.324 174.600 0.005 0.000 0.966 7 S CA 0.199 58.401 58.200 0.004 0.000 0.911 7 S CB -0.250 62.952 63.200 0.004 0.000 0.780 7 S HN 0.125 nan 8.310 nan 0.000 0.514 8 Q N 0.925 120.728 119.800 0.005 0.000 2.311 8 Q HA 0.132 4.472 4.340 0.000 0.000 0.203 8 Q C 2.182 178.185 176.000 0.005 0.000 0.954 8 Q CA 0.813 56.619 55.803 0.005 0.000 0.885 8 Q CB -0.936 27.805 28.738 0.005 0.000 0.963 8 Q HN 0.570 nan 8.270 nan 0.000 0.471 9 G N 1.232 110.034 108.800 0.004 0.000 2.448 9 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 9 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 9 G C 1.257 176.159 174.900 0.004 0.000 1.127 9 G CA 0.416 45.518 45.100 0.004 0.000 0.766 9 G HN 0.319 nan 8.290 nan 0.000 0.552 10 K N 0.305 120.707 120.400 0.004 0.000 2.487 10 K HA 0.096 4.416 4.320 0.000 0.000 0.192 10 K C 0.485 177.088 176.600 0.005 0.000 1.027 10 K CA 0.063 56.352 56.287 0.004 0.000 1.054 10 K CB 0.285 32.788 32.500 0.004 0.000 0.824 10 K HN 0.159 nan 8.250 nan 0.000 0.510 11 K N 2.863 123.266 120.400 0.005 0.000 2.278 11 K HA 0.023 4.343 4.320 0.000 0.000 0.237 11 K C 0.082 176.685 176.600 0.004 0.000 1.229 11 K CA -0.057 56.234 56.287 0.006 0.000 1.155 11 K CB -0.200 32.305 32.500 0.008 0.000 1.590 11 K HN 0.182 nan 8.250 nan 0.000 0.290 12 N N -0.055 118.647 118.700 0.003 0.000 2.433 12 N HA 0.012 4.752 4.740 0.000 0.000 0.270 12 N C -0.752 174.757 175.510 -0.002 0.000 1.354 12 N CA -0.431 52.620 53.050 0.002 0.000 0.889 12 N CB 0.728 39.216 38.487 0.002 0.000 1.285 12 N HN -0.116 nan 8.380 nan 0.000 0.503 13 T N 0.263 114.815 114.554 -0.004 0.000 2.867 13 T HA 0.375 4.725 4.350 0.000 0.000 0.282 13 T C -0.380 174.305 174.700 -0.024 0.000 1.000 13 T CA 0.019 62.112 62.100 -0.012 0.000 1.042 13 T CB 1.582 70.444 68.868 -0.010 0.000 0.973 13 T HN 0.037 nan 8.240 nan 0.000 0.465 14 T N 2.481 117.015 114.554 -0.034 0.000 2.767 14 T HA 0.479 4.829 4.350 0.000 0.000 0.284 14 T C 1.145 175.773 174.700 -0.120 0.000 0.973 14 T CA -0.548 61.521 62.100 -0.052 0.000 0.996 14 T CB 1.077 69.928 68.868 -0.028 0.000 0.927 14 T HN 0.857 nan 8.240 nan 0.000 0.456 15 T N -0.275 114.157 114.554 -0.203 0.000 3.447 15 T HA 0.189 4.539 4.350 0.000 0.000 0.218 15 T C 0.396 174.760 174.700 -0.561 0.000 0.972 15 T CA -0.288 61.495 62.100 -0.529 0.000 1.264 15 T CB -0.185 68.236 68.868 -0.745 0.000 1.284 15 T HN 0.545 nan 8.240 nan 0.000 0.361 16 H N 3.407 122.297 119.070 -0.300 0.000 2.819 16 H HA 0.481 5.037 4.556 0.000 0.000 0.303 16 H C 0.400 175.714 175.328 -0.023 0.000 1.058 16 H CA 0.671 56.639 56.048 -0.133 0.000 1.471 16 H CB 0.585 30.308 29.762 -0.066 0.000 1.480 16 H HN 0.710 nan 8.280 nan 0.000 0.517 17 T N -0.115 114.534 114.554 0.158 0.000 2.910 17 T HA 0.306 4.656 4.350 0.000 0.000 0.287 17 T C 0.094 174.915 174.700 0.202 0.000 1.050 17 T CA -1.350 60.849 62.100 0.164 0.000 1.011 17 T CB 2.099 71.064 68.868 0.162 0.000 1.195 17 T HN 0.308 nan 8.240 nan 0.000 0.540 18 K N 0.712 121.192 120.400 0.133 0.000 2.430 18 K HA 0.205 4.525 4.320 0.000 0.000 0.280 18 K C -0.033 176.613 176.600 0.076 0.000 1.063 18 K CA -0.337 56.002 56.287 0.087 0.000 1.071 18 K CB -0.673 31.854 32.500 0.044 0.000 0.899 18 K HN 0.765 nan 8.250 nan 0.000 0.473 19 C N 6.210 125.545 119.300 0.059 0.000 2.576 19 C HA 0.220 4.680 4.460 0.000 0.000 0.401 19 C C 1.887 176.764 174.990 -0.189 0.000 1.314 19 C CA -0.521 58.467 59.018 -0.050 0.000 1.855 19 C CB -0.201 27.560 27.740 0.036 0.000 2.537 19 C HN 1.119 nan 8.230 nan 0.000 0.578 20 R N 2.941 123.235 120.500 -0.344 0.000 2.091 20 R HA -0.133 4.207 4.340 0.000 0.000 0.238 20 R C 2.460 178.497 176.300 -0.440 0.000 1.136 20 R CA 1.965 57.850 56.100 -0.359 0.000 0.959 20 R CB -0.280 29.780 30.300 -0.400 0.000 0.856 20 R HN 0.869 nan 8.270 nan 0.000 0.437 21 R N 0.075 120.174 120.500 -0.667 0.000 2.062 21 R HA -0.101 4.239 4.340 0.000 0.000 0.226 21 R C 2.273 178.413 176.300 -0.266 0.000 1.125 21 R CA 1.771 57.530 56.100 -0.569 0.000 0.966 21 R CB -0.147 29.671 30.300 -0.804 0.000 0.861 21 R HN 0.514 nan 8.270 nan 0.000 0.433 22 C N -2.334 116.865 119.300 -0.169 0.000 3.065 22 C HA 0.523 4.983 4.460 0.000 0.000 0.285 22 C C 1.486 176.440 174.990 -0.059 0.000 1.257 22 C CA 0.096 59.065 59.018 -0.082 0.000 1.691 22 C CB 0.146 27.870 27.740 -0.026 0.000 2.089 22 C HN 0.674 nan 8.230 nan 0.000 0.630 23 G N 0.834 109.593 108.800 -0.069 0.000 2.179 23 G HA2 -0.178 3.782 3.960 0.000 0.000 0.260 23 G HA3 -0.178 3.782 3.960 0.000 0.000 0.260 23 G C -0.182 174.714 174.900 -0.007 0.000 0.977 23 G CA 0.587 45.661 45.100 -0.042 0.000 0.641 23 G HN 0.642 nan 8.290 nan 0.000 0.533 24 E N 0.090 120.298 120.200 0.014 0.000 2.349 24 E HA 0.311 4.661 4.350 0.000 0.000 0.262 24 E C 0.484 177.124 176.600 0.068 0.000 1.088 24 E CA -0.585 55.837 56.400 0.037 0.000 0.899 24 E CB 0.886 30.613 29.700 0.046 0.000 1.044 24 E HN 0.336 nan 8.360 nan 0.000 0.420 25 K N 1.191 121.632 120.400 0.067 0.000 2.518 25 K HA 0.166 4.486 4.320 0.000 0.000 0.244 25 K C -0.472 176.206 176.600 0.130 0.000 1.232 25 K CA 0.103 56.448 56.287 0.096 0.000 1.189 25 K CB -0.258 32.281 32.500 0.065 0.000 1.737 25 K HN 0.165 nan 8.250 nan 0.000 0.333 26 S N 1.317 117.134 115.700 0.194 0.000 3.009 26 S HA 0.028 4.498 4.470 0.000 0.000 0.254 26 S C -0.974 173.884 174.600 0.430 0.000 1.004 26 S CA -0.499 57.858 58.200 0.260 0.000 1.119 26 S CB -0.076 63.220 63.200 0.159 0.000 1.075 26 S HN 0.486 nan 8.310 nan 0.000 0.618 27 Y N 3.382 123.814 120.300 0.221 0.000 2.452 27 Y HA 0.357 4.907 4.550 0.000 0.000 0.348 27 Y C 0.241 176.225 175.900 0.140 0.000 0.985 27 Y CA -1.287 56.932 58.100 0.200 0.000 1.214 27 Y CB -0.179 38.386 38.460 0.174 0.000 1.136 27 Y HN 0.284 nan 8.280 nan 0.000 0.523 28 H N 4.265 123.178 119.070 -0.261 0.000 3.089 28 H HA 0.063 4.619 4.556 0.000 0.000 0.262 28 H C 1.448 176.456 175.328 -0.532 0.000 1.160 28 H CA 0.564 56.339 56.048 -0.456 0.000 1.482 28 H CB 0.860 30.358 29.762 -0.439 0.000 1.511 28 H HN 0.889 nan 8.280 nan 0.000 0.483 29 T N 3.395 117.782 114.554 -0.279 0.000 2.946 29 T HA -0.114 4.236 4.350 0.000 0.000 0.271 29 T C 1.688 176.344 174.700 -0.074 0.000 1.104 29 T CA 1.294 63.278 62.100 -0.194 0.000 1.114 29 T CB -0.030 68.799 68.868 -0.065 0.000 0.867 29 T HN 0.573 nan 8.240 nan 0.000 0.513 30 K N 0.366 120.844 120.400 0.129 0.000 2.211 30 K HA 0.128 4.448 4.320 0.000 0.000 0.201 30 K C 2.133 178.685 176.600 -0.081 0.000 1.052 30 K CA 0.662 56.987 56.287 0.064 0.000 0.973 30 K CB 0.087 32.667 32.500 0.135 0.000 0.766 30 K HN 0.363 nan 8.250 nan 0.000 0.466 31 K N 0.557 120.844 120.400 -0.188 0.000 2.284 31 K HA 0.061 4.381 4.320 0.000 0.000 0.198 31 K C -0.055 176.402 176.600 -0.238 0.000 1.048 31 K CA -0.014 56.098 56.287 -0.292 0.000 0.987 31 K CB 0.375 32.603 32.500 -0.453 0.000 0.800 31 K HN -0.166 nan 8.250 nan 0.000 0.486 32 K N 0.332 120.523 120.400 -0.349 0.000 3.167 32 K HA -0.122 4.198 4.320 0.000 0.000 0.272 32 K C -1.067 175.352 176.600 -0.301 0.000 1.137 32 K CA 0.392 56.404 56.287 -0.457 0.000 0.800 32 K CB -2.338 30.073 32.500 -0.150 0.000 1.253 32 K HN 0.055 nan 8.250 nan 0.000 0.497 33 V N 0.074 119.811 119.914 -0.294 0.000 2.760 33 V HA 0.271 4.391 4.120 0.000 0.000 0.309 33 V C 0.044 176.231 176.094 0.154 0.000 1.077 33 V CA -1.158 61.137 62.300 -0.008 0.000 0.910 33 V CB 2.535 34.343 31.823 -0.026 0.000 1.008 33 V HN 0.418 nan 8.190 nan 0.000 0.424 34 C N 3.775 123.290 119.300 0.360 0.000 2.415 34 C HA 0.404 4.864 4.460 0.000 0.000 0.369 34 C C 1.979 177.133 174.990 0.272 0.000 1.279 34 C CA 0.369 59.628 59.018 0.402 0.000 1.886 34 C CB 0.523 28.528 27.740 0.442 0.000 2.468 34 C HN 1.116 nan 8.230 nan 0.000 0.553 35 S N 3.341 119.206 115.700 0.276 0.000 2.489 35 S HA -0.075 4.395 4.470 0.000 0.000 0.228 35 S C 1.661 176.371 174.600 0.183 0.000 0.995 35 S CA 1.334 59.670 58.200 0.226 0.000 0.934 35 S CB -0.112 63.228 63.200 0.233 0.000 0.771 35 S HN 0.809 nan 8.310 nan 0.000 0.522 36 S N 0.673 116.475 115.700 0.170 0.000 2.384 36 S HA 0.004 4.474 4.470 0.000 0.000 0.217 36 S C 2.000 176.667 174.600 0.111 0.000 1.041 36 S CA 0.802 59.077 58.200 0.126 0.000 0.948 36 S CB -0.517 62.743 63.200 0.100 0.000 0.872 36 S HN 0.882 nan 8.310 nan 0.000 0.512 37 C N 0.187 119.562 119.300 0.126 0.000 2.926 37 C HA 0.679 5.139 4.460 0.000 0.000 0.272 37 C C 1.835 176.902 174.990 0.129 0.000 1.249 37 C CA 0.229 59.306 59.018 0.099 0.000 1.691 37 C CB -0.497 27.291 27.740 0.080 0.000 1.983 37 C HN 0.787 nan 8.230 nan 0.000 0.615 38 G N 0.398 109.303 108.800 0.174 0.000 2.179 38 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 38 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 38 G C -0.112 174.902 174.900 0.190 0.000 0.977 38 G CA 0.239 45.434 45.100 0.158 0.000 0.641 38 G HN 0.840 nan 8.290 nan 0.000 0.533 39 F N 1.806 121.812 119.950 0.094 0.000 2.612 39 F HA 0.382 4.909 4.527 0.000 0.000 0.389 39 F C 1.517 177.413 175.800 0.160 0.000 1.055 39 F CA 1.485 59.539 58.000 0.090 0.000 1.232 39 F CB 0.395 39.425 39.000 0.051 0.000 1.044 39 F HN 1.206 nan 8.300 nan 0.000 0.560 40 G N 4.515 112.981 108.800 -0.556 0.000 2.232 40 G HA2 -0.315 3.645 3.960 0.000 0.000 0.226 40 G HA3 -0.315 3.645 3.960 0.000 0.000 0.226 40 G C 0.992 175.794 174.900 -0.163 0.000 0.996 40 G CA 0.408 45.244 45.100 -0.440 0.000 0.626 40 G HN 0.797 nan 8.290 nan 0.000 0.509 41 K N -0.339 120.020 120.400 -0.069 0.000 2.412 41 K HA 0.464 4.784 4.320 0.000 0.000 0.201 41 K C 0.703 177.304 176.600 0.001 0.000 1.275 41 K CA 0.964 57.240 56.287 -0.018 0.000 0.910 41 K CB 0.574 33.088 32.500 0.023 0.000 1.346 41 K HN 0.376 nan 8.250 nan 0.000 0.490 42 S N -0.756 114.958 115.700 0.024 0.000 2.526 42 S HA 0.585 5.055 4.470 0.000 0.000 0.293 42 S C 0.226 174.857 174.600 0.052 0.000 1.092 42 S CA -0.308 57.910 58.200 0.031 0.000 0.980 42 S CB 1.827 65.044 63.200 0.028 0.000 1.048 42 S HN 0.327 nan 8.310 nan 0.000 0.483 43 A N 4.454 127.298 122.820 0.041 0.000 1.929 43 A HA 0.199 4.519 4.320 0.000 0.000 0.216 43 A C 0.874 178.487 177.584 0.047 0.000 1.176 43 A CA 0.880 52.951 52.037 0.057 0.000 0.628 43 A CB -0.333 18.689 19.000 0.037 0.000 0.816 43 A HN 0.768 nan 8.150 nan 0.000 0.444 44 K N 0.547 120.959 120.400 0.021 0.000 2.258 44 K HA 0.264 4.584 4.320 0.000 0.000 0.264 44 K C -0.175 176.423 176.600 -0.004 0.000 1.007 44 K CA -0.520 55.766 56.287 -0.002 0.000 0.941 44 K CB 0.473 32.959 32.500 -0.022 0.000 0.966 44 K HN 0.173 nan 8.250 nan 0.000 0.480 45 R N 2.041 122.526 120.500 -0.025 0.000 2.490 45 R HA 0.094 4.434 4.340 0.000 0.000 0.280 45 R C 0.228 176.476 176.300 -0.087 0.000 1.077 45 R CA -0.312 55.770 56.100 -0.031 0.000 1.065 45 R CB 0.679 30.955 30.300 -0.040 0.000 1.003 45 R HN 0.589 nan 8.270 nan 0.000 0.470 46 R N 1.591 122.048 120.500 -0.073 0.000 2.522 46 R HA -0.029 4.311 4.340 0.000 0.000 0.284 46 R C -0.858 175.283 176.300 -0.264 0.000 1.032 46 R CA 0.617 56.621 56.100 -0.159 0.000 1.049 46 R CB 0.297 30.585 30.300 -0.019 0.000 0.956 46 R HN 0.670 nan 8.270 nan 0.000 0.422 47 D N 2.603 122.672 120.400 -0.551 0.000 2.706 47 D HA 0.269 4.909 4.640 0.000 0.000 0.227 47 D C -1.971 173.771 176.300 -0.929 0.000 1.233 47 D CA -0.385 53.298 54.000 -0.528 0.000 0.768 47 D CB 0.725 41.338 40.800 -0.311 0.000 1.490 47 D HN 0.439 nan 8.370 nan 0.000 0.458 48 Y N 0.926 120.938 120.300 -0.480 0.000 2.534 48 Y HA 0.292 4.842 4.550 0.000 0.000 0.345 48 Y C 0.929 176.475 175.900 -0.590 0.000 1.031 48 Y CA -0.851 56.833 58.100 -0.693 0.000 1.022 48 Y CB 2.195 39.715 38.460 -1.567 0.000 1.292 48 Y HN 0.281 nan 8.280 nan 0.000 0.459 49 E N 1.860 121.947 120.200 -0.187 0.000 2.268 49 E HA -0.134 4.216 4.350 0.000 0.000 0.195 49 E C 1.491 178.106 176.600 0.026 0.000 0.995 49 E CA 0.987 57.352 56.400 -0.059 0.000 0.836 49 E CB -0.045 29.677 29.700 0.037 0.000 0.763 49 E HN 0.827 nan 8.360 nan 0.000 0.491 50 W N 0.658 122.022 121.300 0.107 0.000 3.077 50 W HA 0.078 4.738 4.660 0.000 0.000 0.245 50 W C 0.648 177.203 176.519 0.060 0.000 1.316 50 W CA -0.119 57.262 57.345 0.061 0.000 1.537 50 W CB -0.506 28.970 29.460 0.027 0.000 1.131 50 W HN 0.032 nan 8.180 nan 0.000 0.695 51 Q N 1.761 121.557 119.800 -0.007 0.000 2.482 51 Q HA -0.011 4.329 4.340 0.000 0.000 0.209 51 Q C 0.747 176.791 176.000 0.074 0.000 0.961 51 Q CA 0.807 56.622 55.803 0.021 0.000 0.945 51 Q CB 0.128 28.761 28.738 -0.175 0.000 1.012 51 Q HN 0.252 nan 8.270 nan 0.000 0.515 52 S N -1.435 114.318 115.700 0.089 0.000 2.625 52 S HA 0.414 4.884 4.470 0.000 0.000 0.271 52 S C -0.983 173.666 174.600 0.083 0.000 1.161 52 S CA -1.242 56.999 58.200 0.068 0.000 0.820 52 S CB 1.591 64.809 63.200 0.030 0.000 1.137 52 S HN -0.187 nan 8.310 nan 0.000 0.470 53 K N 0.904 121.341 120.400 0.062 0.000 2.436 53 K HA 0.349 4.669 4.320 0.000 0.000 0.275 53 K C 1.651 178.284 176.600 0.055 0.000 0.999 53 K CA 0.472 56.794 56.287 0.058 0.000 0.980 53 K CB 0.454 32.979 32.500 0.041 0.000 0.919 53 K HN 0.839 nan 8.250 nan 0.000 0.484 54 A N 2.843 125.698 122.820 0.058 0.000 1.958 54 A HA -0.154 4.166 4.320 0.000 0.000 0.221 54 A C 1.499 179.106 177.584 0.038 0.000 1.178 54 A CA 2.206 54.275 52.037 0.054 0.000 0.642 54 A CB -0.509 18.522 19.000 0.051 0.000 0.816 54 A HN 0.723 nan 8.150 nan 0.000 0.453 55 G N -0.874 107.945 108.800 0.031 0.000 3.949 55 G HA2 0.467 4.427 3.960 0.000 0.000 0.295 55 G HA3 0.467 4.427 3.960 0.000 0.000 0.295 55 G C -0.103 174.809 174.900 0.019 0.000 1.286 55 G CA 0.497 45.611 45.100 0.023 0.000 1.171 55 G HN 0.615 nan 8.290 nan 0.000 0.586 56 E N 0.000 120.212 120.200 0.020 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 29.710 29.700 0.017 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000