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 3g4s_1_1 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 0.927 109.727 108.800 0.001 0.000 2.403 2 G HA2 0.519 4.479 3.960 0.000 0.000 0.259 2 G HA3 0.519 4.479 3.960 0.000 0.000 0.259 2 G C 1.079 175.979 174.900 0.001 0.000 1.244 2 G CA -0.181 44.919 45.100 0.000 0.000 0.849 2 G HN 1.017 nan 8.290 nan 0.000 0.532 3 A N 1.996 124.816 122.820 0.000 0.000 2.225 3 A HA 0.205 4.525 4.320 0.000 0.000 0.215 3 A C 1.863 179.447 177.584 0.001 0.000 1.164 3 A CA 1.652 53.689 52.037 0.001 0.000 0.710 3 A CB -0.379 18.621 19.000 0.000 0.000 0.780 3 A HN 0.886 nan 8.150 nan 0.000 0.473 4 G N -1.285 107.515 108.800 0.000 0.000 3.311 4 G HA2 0.209 4.169 3.960 0.000 0.000 0.169 4 G HA3 0.209 4.169 3.960 0.000 0.000 0.169 4 G C 1.215 176.116 174.900 0.001 0.000 1.852 4 G CA 0.843 45.943 45.100 0.000 0.000 1.010 4 G HN 0.238 nan 8.290 nan 0.000 0.530 5 T N 2.560 117.114 114.554 0.001 0.000 2.699 5 T HA -0.098 4.252 4.350 0.000 0.000 0.268 5 T C 0.001 174.702 174.700 0.002 0.000 1.036 5 T CA 1.914 64.015 62.100 0.001 0.000 1.147 5 T CB -0.940 67.928 68.868 0.001 0.000 0.862 5 T HN 0.365 nan 8.240 nan 0.000 0.446 6 P HA 0.144 nan 4.420 nan 0.000 0.225 6 P C 1.223 178.525 177.300 0.002 0.000 1.156 6 P CA 0.772 63.873 63.100 0.002 0.000 0.787 6 P CB -0.008 31.693 31.700 0.002 0.000 0.802 7 S N 0.125 115.827 115.700 0.002 0.000 2.561 7 S HA -0.013 4.457 4.470 0.000 0.000 0.225 7 S C 1.682 176.285 174.600 0.004 0.000 0.977 7 S CA 0.545 58.746 58.200 0.003 0.000 0.926 7 S CB -0.422 62.779 63.200 0.003 0.000 0.769 7 S HN 0.208 nan 8.310 nan 0.000 0.533 8 Q N 0.553 120.355 119.800 0.003 0.000 2.444 8 Q HA 0.144 4.484 4.340 0.000 0.000 0.206 8 Q C 1.978 177.980 176.000 0.004 0.000 0.948 8 Q CA 0.451 56.256 55.803 0.004 0.000 0.946 8 Q CB -0.433 28.306 28.738 0.003 0.000 1.027 8 Q HN 0.590 nan 8.270 nan 0.000 0.513 9 G N 0.949 109.752 108.800 0.004 0.000 2.408 9 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 9 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 9 G C 1.281 176.184 174.900 0.005 0.000 1.156 9 G CA -0.035 45.068 45.100 0.004 0.000 0.793 9 G HN 0.227 nan 8.290 nan 0.000 0.535 10 K N 0.569 120.972 120.400 0.006 0.000 2.591 10 K HA 0.099 4.419 4.320 0.000 0.000 0.197 10 K C 0.325 176.930 176.600 0.008 0.000 1.026 10 K CA 0.090 56.381 56.287 0.006 0.000 1.127 10 K CB 0.130 32.634 32.500 0.006 0.000 0.871 10 K HN 0.153 nan 8.250 nan 0.000 0.507 11 K N 2.438 122.843 120.400 0.007 0.000 2.535 11 K HA 0.056 4.376 4.320 0.000 0.000 0.242 11 K C -0.190 176.415 176.600 0.009 0.000 1.210 11 K CA -0.167 56.125 56.287 0.008 0.000 1.178 11 K CB 0.004 32.509 32.500 0.008 0.000 1.778 11 K HN 0.167 nan 8.250 nan 0.000 0.372 12 N N 0.303 119.009 118.700 0.009 0.000 2.644 12 N HA 0.055 4.795 4.740 0.000 0.000 0.313 12 N C -0.881 174.635 175.510 0.011 0.000 1.863 12 N CA -0.414 52.642 53.050 0.010 0.000 0.918 12 N CB 0.851 39.344 38.487 0.009 0.000 1.320 12 N HN -0.134 nan 8.380 nan 0.000 0.490 13 T N -0.094 114.467 114.554 0.011 0.000 2.912 13 T HA 0.508 4.858 4.350 0.000 0.000 0.288 13 T C -0.411 174.294 174.700 0.008 0.000 1.030 13 T CA -0.221 61.886 62.100 0.011 0.000 1.020 13 T CB 1.802 70.678 68.868 0.013 0.000 1.056 13 T HN 0.129 nan 8.240 nan 0.000 0.480 14 T N 1.955 116.514 114.554 0.008 0.000 2.770 14 T HA 0.514 4.864 4.350 0.000 0.000 0.283 14 T C 1.020 175.705 174.700 -0.024 0.000 0.988 14 T CA -0.723 61.379 62.100 0.003 0.000 0.957 14 T CB 1.341 70.220 68.868 0.018 0.000 0.930 14 T HN 0.812 nan 8.240 nan 0.000 0.443 15 T N -1.073 113.426 114.554 -0.092 0.000 3.393 15 T HA 0.168 4.518 4.350 0.000 0.000 0.231 15 T C 0.397 174.863 174.700 -0.390 0.000 0.983 15 T CA -0.197 61.711 62.100 -0.320 0.000 1.272 15 T CB -0.161 68.373 68.868 -0.558 0.000 1.214 15 T HN 0.563 nan 8.240 nan 0.000 0.368 16 H N 3.472 122.425 119.070 -0.195 0.000 2.800 16 H HA 0.494 5.050 4.556 0.000 0.000 0.291 16 H C 0.145 175.485 175.328 0.019 0.000 1.076 16 H CA 0.363 56.365 56.048 -0.077 0.000 1.452 16 H CB 0.546 30.262 29.762 -0.075 0.000 1.461 16 H HN 0.631 nan 8.280 nan 0.000 0.488 17 T N 0.176 114.833 114.554 0.171 0.000 2.926 17 T HA 0.289 4.639 4.350 0.000 0.000 0.289 17 T C 0.158 174.974 174.700 0.194 0.000 1.054 17 T CA -1.321 60.881 62.100 0.170 0.000 1.015 17 T CB 2.216 71.192 68.868 0.179 0.000 1.167 17 T HN 0.363 nan 8.240 nan 0.000 0.526 18 K N 0.428 120.901 120.400 0.121 0.000 2.436 18 K HA 0.243 4.563 4.320 0.000 0.000 0.282 18 K C 0.224 176.854 176.600 0.050 0.000 1.044 18 K CA -0.574 55.759 56.287 0.078 0.000 1.028 18 K CB -0.168 32.352 32.500 0.033 0.000 0.919 18 K HN 0.737 nan 8.250 nan 0.000 0.474 19 C N 4.425 123.751 119.300 0.043 0.000 2.657 19 C HA 0.164 4.624 4.460 0.000 0.000 0.404 19 C C 1.912 176.780 174.990 -0.203 0.000 1.291 19 C CA -0.384 58.589 59.018 -0.075 0.000 2.218 19 C CB 0.240 27.995 27.740 0.024 0.000 2.687 19 C HN 1.066 nan 8.230 nan 0.000 0.634 20 R N 1.101 121.371 120.500 -0.383 0.000 2.066 20 R HA 0.005 4.345 4.340 0.000 0.000 0.224 20 R C 2.591 178.622 176.300 -0.448 0.000 1.122 20 R CA 1.005 56.871 56.100 -0.390 0.000 0.974 20 R CB -0.282 29.751 30.300 -0.445 0.000 0.871 20 R HN 0.775 nan 8.270 nan 0.000 0.435 21 R N 0.251 120.334 120.500 -0.694 0.000 2.055 21 R HA -0.131 4.209 4.340 0.000 0.000 0.228 21 R C 2.461 178.599 176.300 -0.269 0.000 1.143 21 R CA 2.055 57.813 56.100 -0.569 0.000 0.945 21 R CB -0.278 29.554 30.300 -0.781 0.000 0.841 21 R HN 0.462 nan 8.270 nan 0.000 0.429 22 C N -2.861 116.331 119.300 -0.180 0.000 2.513 22 C HA 0.479 4.939 4.460 0.000 0.000 0.292 22 C C 1.562 176.514 174.990 -0.064 0.000 1.359 22 C CA 0.495 59.461 59.018 -0.086 0.000 1.778 22 C CB 0.254 27.976 27.740 -0.030 0.000 2.180 22 C HN 0.681 nan 8.230 nan 0.000 0.509 23 G N 0.758 109.524 108.800 -0.057 0.000 2.148 23 G HA2 -0.084 3.876 3.960 0.000 0.000 0.203 23 G HA3 -0.084 3.876 3.960 0.000 0.000 0.203 23 G C -0.435 174.465 174.900 0.001 0.000 0.993 23 G CA 0.177 45.256 45.100 -0.035 0.000 0.661 23 G HN 0.628 nan 8.290 nan 0.000 0.518 24 E N 0.140 120.356 120.200 0.026 0.000 2.242 24 E HA 0.287 4.637 4.350 0.000 0.000 0.275 24 E C 0.316 176.963 176.600 0.079 0.000 1.002 24 E CA -0.809 55.617 56.400 0.045 0.000 0.841 24 E CB 1.248 30.977 29.700 0.049 0.000 1.109 24 E HN 0.234 nan 8.360 nan 0.000 0.394 25 K N 1.447 121.891 120.400 0.073 0.000 2.989 25 K HA 0.067 4.387 4.320 0.000 0.000 0.264 25 K C -0.211 176.483 176.600 0.156 0.000 1.228 25 K CA 0.194 56.544 56.287 0.105 0.000 1.186 25 K CB -0.300 32.242 32.500 0.070 0.000 1.409 25 K HN 0.181 nan 8.250 nan 0.000 0.271 26 S N 0.652 116.486 115.700 0.222 0.000 2.701 26 S HA 0.034 4.504 4.470 0.000 0.000 0.242 26 S C -0.758 174.123 174.600 0.468 0.000 1.025 26 S CA -0.492 57.908 58.200 0.335 0.000 1.016 26 S CB 0.059 63.378 63.200 0.198 0.000 0.977 26 S HN 0.434 nan 8.310 nan 0.000 0.546 27 Y N 3.406 123.842 120.300 0.227 0.000 2.452 27 Y HA 0.280 4.830 4.550 0.000 0.000 0.348 27 Y C 0.331 176.282 175.900 0.084 0.000 0.985 27 Y CA -1.014 57.192 58.100 0.176 0.000 1.214 27 Y CB -0.200 38.357 38.460 0.161 0.000 1.136 27 Y HN 0.256 nan 8.280 nan 0.000 0.523 28 H N 4.336 123.156 119.070 -0.418 0.000 3.089 28 H HA 0.044 4.600 4.556 0.000 0.000 0.262 28 H C 1.315 176.323 175.328 -0.533 0.000 1.160 28 H CA 0.143 55.857 56.048 -0.555 0.000 1.482 28 H CB 0.888 30.332 29.762 -0.530 0.000 1.511 28 H HN 0.869 nan 8.280 nan 0.000 0.483 29 T N 3.311 117.811 114.554 -0.090 0.000 3.025 29 T HA -0.078 4.272 4.350 0.000 0.000 0.270 29 T C 1.578 176.257 174.700 -0.035 0.000 1.126 29 T CA 1.227 63.301 62.100 -0.043 0.000 1.105 29 T CB 0.027 68.947 68.868 0.086 0.000 0.884 29 T HN 0.625 nan 8.240 nan 0.000 0.522 30 K N -0.230 120.175 120.400 0.008 0.000 2.308 30 K HA 0.179 4.499 4.320 0.000 0.000 0.197 30 K C 2.061 178.493 176.600 -0.279 0.000 1.049 30 K CA 0.436 56.662 56.287 -0.103 0.000 0.991 30 K CB 0.289 32.764 32.500 -0.042 0.000 0.836 30 K HN 0.214 nan 8.250 nan 0.000 0.500 31 K N 0.392 120.504 120.400 -0.481 0.000 2.352 31 K HA 0.081 4.401 4.320 0.000 0.000 0.194 31 K C -0.060 176.339 176.600 -0.335 0.000 1.038 31 K CA 0.034 56.054 56.287 -0.445 0.000 1.023 31 K CB 0.587 32.740 32.500 -0.578 0.000 0.840 31 K HN -0.158 nan 8.250 nan 0.000 0.519 32 K N 0.313 120.461 120.400 -0.420 0.000 3.088 32 K HA -0.147 4.173 4.320 0.000 0.000 0.273 32 K C -0.720 175.606 176.600 -0.456 0.000 1.111 32 K CA 0.520 56.516 56.287 -0.485 0.000 0.803 32 K CB -2.367 30.046 32.500 -0.146 0.000 1.226 32 K HN 0.039 nan 8.250 nan 0.000 0.485 33 V N 0.244 119.889 119.914 -0.449 0.000 2.656 33 V HA 0.260 4.380 4.120 0.000 0.000 0.307 33 V C 0.282 176.351 176.094 -0.043 0.000 1.051 33 V CA -1.149 61.057 62.300 -0.157 0.000 0.893 33 V CB 2.368 34.137 31.823 -0.090 0.000 0.999 33 V HN 0.376 nan 8.190 nan 0.000 0.426 34 C N 3.814 123.242 119.300 0.214 0.000 2.452 34 C HA 0.401 4.861 4.460 0.000 0.000 0.379 34 C C 1.947 177.083 174.990 0.243 0.000 1.275 34 C CA 0.374 59.586 59.018 0.323 0.000 2.056 34 C CB 0.779 28.791 27.740 0.454 0.000 2.506 34 C HN 1.098 nan 8.230 nan 0.000 0.560 35 S N 2.848 118.705 115.700 0.262 0.000 2.528 35 S HA -0.048 4.422 4.470 0.000 0.000 0.219 35 S C 1.538 176.246 174.600 0.180 0.000 0.985 35 S CA 1.162 59.496 58.200 0.224 0.000 0.914 35 S CB -0.046 63.301 63.200 0.246 0.000 0.776 35 S HN 0.842 nan 8.310 nan 0.000 0.526 36 S N 0.542 116.344 115.700 0.170 0.000 2.444 36 S HA 0.011 4.481 4.470 0.000 0.000 0.223 36 S C 2.013 176.680 174.600 0.112 0.000 1.054 36 S CA 0.701 58.977 58.200 0.127 0.000 0.947 36 S CB -0.468 62.793 63.200 0.101 0.000 0.850 36 S HN 0.870 nan 8.310 nan 0.000 0.527 37 C N 0.409 119.786 119.300 0.128 0.000 2.865 37 C HA 0.668 5.128 4.460 0.000 0.000 0.280 37 C C 1.795 176.866 174.990 0.134 0.000 1.255 37 C CA 0.396 59.476 59.018 0.103 0.000 1.705 37 C CB -0.595 27.195 27.740 0.084 0.000 2.080 37 C HN 0.946 nan 8.230 nan 0.000 0.591 38 G N 0.550 109.460 108.800 0.184 0.000 2.137 38 G HA2 -0.251 3.709 3.960 0.000 0.000 0.237 38 G HA3 -0.251 3.709 3.960 0.000 0.000 0.237 38 G C -0.257 174.773 174.900 0.218 0.000 1.002 38 G CA 0.215 45.418 45.100 0.172 0.000 0.702 38 G HN 0.806 nan 8.290 nan 0.000 0.515 39 F N 1.284 121.307 119.950 0.122 0.000 2.543 39 F HA 0.447 4.974 4.527 0.000 0.000 0.375 39 F C 1.465 177.377 175.800 0.187 0.000 1.075 39 F CA 0.863 58.944 58.000 0.134 0.000 1.225 39 F CB 0.749 39.829 39.000 0.133 0.000 1.099 39 F HN 1.085 nan 8.300 nan 0.000 0.561 40 G N 4.588 113.150 108.800 -0.396 0.000 2.213 40 G HA2 -0.315 3.645 3.960 0.000 0.000 0.236 40 G HA3 -0.315 3.645 3.960 0.000 0.000 0.236 40 G C 1.053 175.871 174.900 -0.136 0.000 0.991 40 G CA 0.435 45.330 45.100 -0.342 0.000 0.629 40 G HN 0.733 nan 8.290 nan 0.000 0.517 41 K N 0.215 120.586 120.400 -0.048 0.000 2.362 41 K HA 0.357 4.677 4.320 0.000 0.000 0.203 41 K C 1.095 177.695 176.600 -0.000 0.000 1.198 41 K CA 1.169 57.448 56.287 -0.013 0.000 0.908 41 K CB 0.411 32.926 32.500 0.025 0.000 1.236 41 K HN 0.725 nan 8.250 nan 0.000 0.487 42 S N -1.210 114.504 115.700 0.023 0.000 2.568 42 S HA 0.593 5.063 4.470 0.000 0.000 0.293 42 S C 0.514 175.139 174.600 0.043 0.000 1.089 42 S CA -0.461 57.753 58.200 0.024 0.000 0.945 42 S CB 1.876 65.088 63.200 0.020 0.000 1.077 42 S HN 0.179 nan 8.310 nan 0.000 0.485 43 A N 1.533 124.371 122.820 0.030 0.000 2.016 43 A HA 0.221 4.541 4.320 0.000 0.000 0.217 43 A C 1.005 178.614 177.584 0.042 0.000 1.162 43 A CA 0.672 52.734 52.037 0.042 0.000 0.662 43 A CB -0.399 18.615 19.000 0.023 0.000 0.812 43 A HN 0.794 nan 8.150 nan 0.000 0.450 44 K N -0.500 119.911 120.400 0.020 0.000 2.362 44 K HA 0.420 4.740 4.320 0.000 0.000 0.245 44 K C -0.141 176.462 176.600 0.005 0.000 1.040 44 K CA -0.750 55.536 56.287 -0.001 0.000 0.961 44 K CB 0.378 32.860 32.500 -0.030 0.000 1.252 44 K HN 0.050 nan 8.250 nan 0.000 0.503 45 R N 1.669 122.154 120.500 -0.025 0.000 2.407 45 R HA 0.171 4.511 4.340 0.000 0.000 0.303 45 R C -0.262 175.987 176.300 -0.085 0.000 0.981 45 R CA -0.585 55.497 56.100 -0.029 0.000 0.905 45 R CB 1.335 31.613 30.300 -0.036 0.000 1.099 45 R HN 0.537 nan 8.270 nan 0.000 0.459 46 R N 2.408 122.868 120.500 -0.067 0.000 2.291 46 R HA 0.026 4.366 4.340 0.000 0.000 0.333 46 R C -0.996 175.186 176.300 -0.196 0.000 1.082 46 R CA 0.273 56.287 56.100 -0.143 0.000 0.948 46 R CB 0.037 30.336 30.300 -0.002 0.000 1.009 46 R HN 0.583 nan 8.270 nan 0.000 0.460 47 D N 2.808 122.980 120.400 -0.380 0.000 2.601 47 D HA 0.358 4.998 4.640 0.000 0.000 0.230 47 D C -1.785 174.123 176.300 -0.653 0.000 1.106 47 D CA -0.345 53.450 54.000 -0.342 0.000 0.873 47 D CB 1.175 41.834 40.800 -0.236 0.000 1.515 47 D HN 0.428 nan 8.370 nan 0.000 0.468 48 Y N 0.728 120.773 120.300 -0.424 0.000 2.504 48 Y HA 0.221 4.771 4.550 0.000 0.000 0.344 48 Y C 0.753 176.321 175.900 -0.554 0.000 1.023 48 Y CA -0.756 56.936 58.100 -0.680 0.000 1.020 48 Y CB 2.363 39.935 38.460 -1.481 0.000 1.282 48 Y HN 0.364 nan 8.280 nan 0.000 0.454 49 E N 2.362 122.440 120.200 -0.205 0.000 2.338 49 E HA -0.129 4.221 4.350 0.000 0.000 0.197 49 E C 1.246 177.875 176.600 0.048 0.000 1.007 49 E CA 0.936 57.302 56.400 -0.057 0.000 0.849 49 E CB 0.062 29.777 29.700 0.025 0.000 0.774 49 E HN 0.777 nan 8.360 nan 0.000 0.506 50 W N 0.172 121.536 121.300 0.107 0.000 3.256 50 W HA 0.160 4.820 4.660 0.000 0.000 0.269 50 W C 0.728 177.277 176.519 0.051 0.000 1.310 50 W CA -0.275 57.104 57.345 0.055 0.000 1.673 50 W CB -0.337 29.133 29.460 0.017 0.000 1.115 50 W HN -0.015 nan 8.180 nan 0.000 0.686 51 Q N 1.881 121.754 119.800 0.122 0.000 2.482 51 Q HA -0.009 4.331 4.340 0.000 0.000 0.209 51 Q C 0.529 176.593 176.000 0.107 0.000 0.961 51 Q CA 0.682 56.556 55.803 0.118 0.000 0.945 51 Q CB 0.224 28.931 28.738 -0.052 0.000 1.012 51 Q HN 0.181 nan 8.270 nan 0.000 0.515 52 S N -0.964 114.802 115.700 0.110 0.000 2.541 52 S HA 0.372 4.842 4.470 0.000 0.000 0.271 52 S C -0.859 173.798 174.600 0.094 0.000 1.133 52 S CA -1.233 57.015 58.200 0.080 0.000 0.876 52 S CB 1.710 64.935 63.200 0.043 0.000 1.105 52 S HN -0.144 nan 8.310 nan 0.000 0.470 53 K N 1.776 122.220 120.400 0.074 0.000 2.491 53 K HA 0.187 4.507 4.320 0.000 0.000 0.279 53 K C 1.803 178.439 176.600 0.059 0.000 1.026 53 K CA 0.659 56.985 56.287 0.065 0.000 1.070 53 K CB 0.343 32.870 32.500 0.046 0.000 0.887 53 K HN 0.898 nan 8.250 nan 0.000 0.481 54 A N 4.206 127.065 122.820 0.065 0.000 1.886 54 A HA -0.263 4.057 4.320 0.000 0.000 0.240 54 A C 1.658 179.267 177.584 0.042 0.000 1.875 54 A CA 2.584 54.655 52.037 0.058 0.000 0.760 54 A CB -1.121 17.910 19.000 0.051 0.000 0.849 54 A HN 0.805 nan 8.150 nan 0.000 0.505 55 G N -0.959 107.861 108.800 0.033 0.000 3.424 55 G HA2 0.436 4.396 3.960 0.000 0.000 0.263 55 G HA3 0.436 4.396 3.960 0.000 0.000 0.263 55 G C 0.095 175.009 174.900 0.022 0.000 1.310 55 G CA 0.705 45.820 45.100 0.025 0.000 1.089 55 G HN 0.721 nan 8.290 nan 0.000 0.534 56 E N 0.000 120.215 120.200 0.025 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.412 56.400 0.020 0.000 0.000 56 E CB 0.000 29.714 29.700 0.023 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000