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 1wwf_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATVVSGQKQD RQGGERRRSQ LDRDQCAYCK EKGHWAKDCP KKPRGPRGPR DATA SEQUENCE PQTSLL 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 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 1 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 2 T N -0.374 114.178 114.554 -0.004 0.000 2.733 2 T HA 0.259 4.607 4.350 -0.003 0.000 0.294 2 T C -0.369 174.329 174.700 -0.004 0.000 0.956 2 T CA 0.083 62.181 62.100 -0.004 0.000 0.987 2 T CB 0.270 69.136 68.868 -0.004 0.000 0.920 2 T HN -0.023 8.215 8.240 -0.004 0.000 0.470 3 V N 4.065 123.977 119.914 -0.004 0.000 3.442 3 V HA 0.042 4.160 4.120 -0.005 0.000 0.205 3 V C -0.731 175.361 176.094 -0.004 0.000 1.320 3 V CA 0.310 62.607 62.300 -0.004 0.000 1.306 3 V CB 0.842 32.663 31.823 -0.004 0.000 1.267 3 V HN 0.405 8.594 8.190 -0.003 0.000 0.538 4 V N 3.080 122.992 119.914 -0.003 0.000 2.509 4 V HA 0.134 4.253 4.120 -0.003 0.000 0.284 4 V C -0.914 175.179 176.094 -0.002 0.000 1.047 4 V CA 0.124 62.423 62.300 -0.002 0.000 0.952 4 V CB 0.226 32.048 31.823 -0.002 0.000 0.988 4 V HN -0.061 8.127 8.190 -0.003 0.000 0.469 5 S N 5.098 120.797 115.700 -0.001 0.000 2.584 5 S HA 0.193 4.663 4.470 -0.000 0.000 0.280 5 S C -0.500 174.100 174.600 0.000 0.000 1.162 5 S CA 0.238 58.437 58.200 -0.001 0.000 0.951 5 S CB 1.998 65.197 63.200 -0.001 0.000 1.108 5 S HN -0.111 8.198 8.310 -0.001 0.000 0.464 6 G N 1.591 110.392 108.800 0.001 0.000 2.683 6 G HA2 0.039 4.000 3.960 0.002 0.000 0.260 6 G HA3 0.039 4.001 3.960 0.003 0.000 0.260 6 G C -1.487 173.415 174.900 0.003 0.000 1.238 6 G CA 0.019 45.120 45.100 0.003 0.000 0.934 6 G HN 0.004 8.295 8.290 0.001 0.000 0.534 7 Q N -0.633 119.170 119.800 0.005 0.000 2.304 7 Q HA 0.076 4.419 4.340 0.006 0.000 0.270 7 Q C -1.100 174.905 176.000 0.009 0.000 1.035 7 Q CA -0.395 55.412 55.803 0.007 0.000 0.781 7 Q CB 2.206 30.949 28.738 0.008 0.000 1.261 7 Q HN 0.043 8.316 8.270 0.005 0.000 0.444 8 K N 3.862 124.268 120.400 0.010 0.000 2.389 8 K HA 0.221 4.547 4.320 0.011 0.000 0.261 8 K C -0.865 175.744 176.600 0.015 0.000 1.014 8 K CA -0.314 55.980 56.287 0.011 0.000 0.920 8 K CB 0.654 33.160 32.500 0.010 0.000 1.149 8 K HN 0.246 8.502 8.250 0.009 0.000 0.444 9 Q N 3.886 123.696 119.800 0.017 0.000 2.394 9 Q HA 0.108 4.461 4.340 0.023 0.000 0.259 9 Q C -0.901 175.112 176.000 0.021 0.000 1.021 9 Q CA -0.212 55.604 55.803 0.021 0.000 0.805 9 Q CB 1.047 29.799 28.738 0.024 0.000 1.226 9 Q HN 0.313 8.592 8.270 0.016 0.000 0.476 10 D N 5.380 125.794 120.400 0.022 0.000 2.428 10 D HA 0.134 4.785 4.640 0.018 0.000 0.221 10 D C -0.477 175.837 176.300 0.024 0.000 1.123 10 D CA -0.361 53.652 54.000 0.021 0.000 0.869 10 D CB 0.563 41.374 40.800 0.019 0.000 1.032 10 D HN 0.137 8.521 8.370 0.023 0.000 0.506 11 R N 2.329 122.842 120.500 0.022 0.000 2.543 11 R HA 0.138 4.495 4.340 0.028 0.000 0.277 11 R C -0.319 175.993 176.300 0.020 0.000 1.074 11 R CA 0.023 56.137 56.100 0.023 0.000 1.076 11 R CB 0.636 30.948 30.300 0.021 0.000 0.993 11 R HN 0.258 8.540 8.270 0.020 0.000 0.459 12 Q N -0.443 119.369 119.800 0.021 0.000 2.686 12 Q HA 0.120 4.467 4.340 0.012 0.000 0.266 12 Q C -1.409 174.600 176.000 0.015 0.000 0.965 12 Q CA -0.003 55.809 55.803 0.016 0.000 0.894 12 Q CB 1.152 29.900 28.738 0.016 0.000 1.583 12 Q HN 0.201 8.486 8.270 0.024 0.000 0.405 13 G N 0.124 108.929 108.800 0.007 0.000 2.587 13 G HA2 0.377 4.335 3.960 -0.003 0.000 0.686 13 G HA3 0.377 4.339 3.960 0.003 0.000 0.686 13 G C -0.978 173.920 174.900 -0.003 0.000 1.236 13 G CA 0.038 45.138 45.100 0.001 0.000 0.820 13 G HN 1.119 9.413 8.290 0.005 0.000 0.645 14 G N -0.391 108.403 108.800 -0.010 0.000 3.112 14 G HA2 0.442 4.394 3.960 -0.014 0.000 0.234 14 G HA3 0.442 4.397 3.960 -0.009 0.000 0.234 14 G C -0.931 173.960 174.900 -0.016 0.000 3.847 14 G CA 0.387 45.480 45.100 -0.012 0.000 0.449 14 G HN 0.590 8.872 8.290 -0.014 0.000 0.332 15 E N 0.096 120.283 120.200 -0.022 0.000 3.079 15 E HA 0.338 4.676 4.350 -0.020 0.000 0.329 15 E C -0.310 176.272 176.600 -0.030 0.000 1.166 15 E CA -0.166 56.220 56.400 -0.023 0.000 0.876 15 E CB 0.955 30.641 29.700 -0.023 0.000 1.479 15 E HN 0.315 8.660 8.360 -0.026 0.000 0.384 16 R N 0.017 120.499 120.500 -0.029 0.000 2.780 16 R HA 0.171 4.491 4.340 -0.033 0.000 0.280 16 R C -1.877 174.405 176.300 -0.031 0.000 1.016 16 R CA -0.580 55.500 56.100 -0.034 0.000 0.854 16 R CB 1.634 31.908 30.300 -0.043 0.000 1.293 16 R HN -0.207 8.047 8.270 -0.026 0.000 0.483 17 R N 1.243 121.724 120.500 -0.033 0.000 2.346 17 R HA 0.340 4.664 4.340 -0.028 0.000 0.311 17 R C 0.636 176.914 176.300 -0.037 0.000 0.983 17 R CA -0.387 55.695 56.100 -0.031 0.000 0.880 17 R CB 1.112 31.396 30.300 -0.027 0.000 1.100 17 R HN 0.373 8.623 8.270 -0.035 0.000 0.453 18 R N 5.307 125.786 120.500 -0.036 0.000 4.464 18 R HA -0.009 4.300 4.340 -0.053 0.000 0.229 18 R C -0.538 175.737 176.300 -0.041 0.000 1.916 18 R CA -0.816 55.257 56.100 -0.044 0.000 1.601 18 R CB -1.060 29.214 30.300 -0.043 0.000 1.315 18 R HN 0.518 8.769 8.270 -0.031 0.000 0.725 19 S N 2.687 118.364 115.700 -0.038 0.000 3.205 19 S HA -0.329 4.125 4.470 -0.028 0.000 0.381 19 S C -0.107 174.471 174.600 -0.037 0.000 1.122 19 S CA 1.645 59.825 58.200 -0.033 0.000 1.485 19 S CB 0.021 63.202 63.200 -0.032 0.000 1.058 19 S HN -0.181 8.013 8.310 -0.038 0.093 0.570 20 Q N 0.933 120.714 119.800 -0.031 0.000 2.406 20 Q HA -0.346 3.978 4.340 -0.026 0.000 0.339 20 Q C -1.194 174.780 176.000 -0.043 0.000 1.337 20 Q CA 0.618 56.403 55.803 -0.031 0.000 0.985 20 Q CB -1.531 27.193 28.738 -0.024 0.000 1.216 20 Q HN 0.160 8.414 8.270 -0.027 0.000 0.415 21 L N 0.017 121.207 121.223 -0.055 0.000 2.825 21 L HA -0.289 3.995 4.340 -0.092 0.000 0.278 21 L C -0.175 176.645 176.870 -0.084 0.000 1.125 21 L CA 0.489 55.279 54.840 -0.084 0.000 1.023 21 L CB -0.485 41.515 42.059 -0.098 0.000 1.377 21 L HN -0.422 7.714 8.230 -0.050 0.064 0.471 22 D N 4.459 124.808 120.400 -0.085 0.000 2.458 22 D HA -0.099 4.520 4.640 -0.034 0.000 0.243 22 D C 1.196 177.448 176.300 -0.080 0.000 1.146 22 D CA 1.100 55.063 54.000 -0.061 0.000 0.877 22 D CB 1.321 42.090 40.800 -0.052 0.000 1.176 22 D HN -0.239 8.225 8.370 -0.089 -0.147 0.461 23 R N 4.623 125.121 120.500 -0.002 0.000 2.328 23 R HA -0.216 4.124 4.340 0.001 0.000 0.207 23 R C -0.573 175.865 176.300 0.229 0.000 1.056 23 R CA 1.871 58.019 56.100 0.081 0.000 1.016 23 R CB 0.029 30.412 30.300 0.139 0.000 0.872 23 R HN 0.489 8.770 8.270 0.017 0.000 0.471 24 D N -4.478 116.002 120.400 0.134 0.000 2.720 24 D HA 0.173 5.164 4.640 0.586 0.000 0.285 24 D C -1.495 174.836 176.300 0.051 0.000 1.359 24 D CA -0.737 53.406 54.000 0.237 0.000 0.818 24 D CB -0.650 40.250 40.800 0.168 0.000 1.108 24 D HN -0.008 8.319 8.370 0.045 0.070 0.474 25 Q N -0.929 118.786 119.800 -0.142 0.000 2.385 25 Q HA 0.374 4.622 4.340 -0.152 0.000 0.262 25 Q C -1.755 174.041 176.000 -0.340 0.000 1.050 25 Q CA -1.419 54.261 55.803 -0.204 0.000 0.903 25 Q CB 4.519 33.157 28.738 -0.166 0.000 1.325 25 Q HN -0.149 7.847 8.270 -0.228 0.137 0.485 26 C N -0.548 118.584 119.300 -0.281 0.000 2.322 26 C HA 0.309 4.626 4.460 -0.238 0.000 0.324 26 C C -1.054 173.860 174.990 -0.126 0.000 1.284 26 C CA -1.511 57.378 59.018 -0.215 0.000 1.606 26 C CB 1.557 29.160 27.740 -0.228 0.000 2.251 26 C HN 0.339 8.423 8.230 -0.243 0.000 0.502 27 A N 8.039 130.798 122.820 -0.102 0.000 2.640 27 A HA 0.064 4.336 4.320 -0.079 0.000 0.282 27 A C -1.415 176.213 177.584 0.073 0.000 1.357 27 A CA 0.045 52.048 52.037 -0.057 0.000 0.946 27 A CB -1.255 17.677 19.000 -0.113 0.000 1.065 27 A HN 0.702 8.776 8.150 -0.127 0.000 0.541 28 Y N -2.549 117.729 120.300 -0.036 0.000 3.011 28 Y HA 0.151 4.697 4.550 -0.006 0.000 0.231 28 Y C 0.165 176.072 175.900 0.012 0.000 0.983 28 Y CA 2.668 60.770 58.100 0.004 0.000 1.429 28 Y CB 2.676 41.164 38.460 0.047 0.000 1.491 28 Y HN -0.732 7.550 8.280 0.160 0.094 0.444 29 C N -4.264 115.185 119.300 0.248 0.000 2.735 29 C HA 0.267 4.765 4.460 0.063 0.000 0.271 29 C C 0.189 175.209 174.990 0.051 0.000 1.281 29 C CA -1.425 57.679 59.018 0.143 0.000 1.719 29 C CB 1.638 29.522 27.740 0.239 0.000 2.024 29 C HN -0.467 7.968 8.230 0.342 0.000 0.566 30 K N -3.115 117.297 120.400 0.021 0.000 3.395 30 K HA -0.290 4.188 4.320 -0.059 -0.193 0.293 30 K C -1.420 175.142 176.600 -0.063 0.000 1.344 30 K CA 0.677 56.942 56.287 -0.036 0.000 0.864 30 K CB -2.642 29.839 32.500 -0.031 0.000 1.483 30 K HN -0.248 8.029 8.250 0.044 0.000 0.497 31 E N 0.721 120.861 120.200 -0.101 0.000 2.283 31 E HA -0.038 4.267 4.350 -0.076 0.000 0.278 31 E C -1.680 174.747 176.600 -0.288 0.000 1.027 31 E CA -0.398 55.901 56.400 -0.169 0.000 0.843 31 E CB 1.955 31.584 29.700 -0.120 0.000 1.062 31 E HN -0.663 7.628 8.360 -0.077 0.023 0.401 32 K N 5.280 125.582 120.400 -0.164 0.000 2.211 32 K HA 0.005 4.234 4.320 -0.151 0.000 0.275 32 K C -0.095 176.455 176.600 -0.084 0.000 1.024 32 K CA -0.423 55.791 56.287 -0.122 0.000 0.887 32 K CB 0.137 32.601 32.500 -0.060 0.000 1.084 32 K HN 0.194 8.386 8.250 -0.096 0.000 0.463 33 G N 5.808 114.577 108.800 -0.052 0.000 3.033 33 G HA2 -0.164 3.834 3.960 0.064 0.000 0.196 33 G HA3 -0.164 3.828 3.960 0.053 0.000 0.196 33 G C -1.504 173.475 174.900 0.131 0.000 1.078 33 G CA -0.328 44.798 45.100 0.044 0.000 0.805 33 G HN 0.488 8.747 8.290 -0.052 0.000 0.472 34 H N -0.855 118.293 119.070 0.130 0.000 2.670 34 H HA 0.230 4.900 4.556 0.190 0.000 0.361 34 H C -2.258 173.221 175.328 0.253 0.000 1.169 34 H CA -1.750 54.401 56.048 0.172 0.000 1.198 34 H CB 2.237 32.059 29.762 0.100 0.000 1.700 34 H HN -0.492 7.588 8.280 -0.332 0.000 0.542 35 W N -2.263 119.141 121.300 0.174 0.000 2.359 35 W HA 0.188 5.055 4.660 0.043 -0.182 0.344 35 W C 1.745 178.372 176.519 0.180 0.000 1.170 35 W CA -0.544 56.864 57.345 0.105 0.000 1.296 35 W CB 1.241 30.735 29.460 0.056 0.000 1.197 35 W HN 0.107 8.624 8.180 0.561 0.000 0.618 36 A N 3.636 126.585 122.820 0.216 0.000 1.940 36 A HA -0.280 4.137 4.320 0.162 0.000 0.219 36 A C 1.778 179.404 177.584 0.070 0.000 1.176 36 A CA 2.974 55.092 52.037 0.134 0.000 0.631 36 A CB -0.176 18.887 19.000 0.105 0.000 0.814 36 A HN 0.652 8.824 8.150 0.037 0.000 0.446 37 K N -3.531 116.979 120.400 0.184 0.000 2.515 37 K HA -0.209 4.135 4.320 0.039 0.000 0.196 37 K C -0.446 176.189 176.600 0.058 0.000 1.038 37 K CA 1.957 58.312 56.287 0.113 0.000 0.967 37 K CB -0.318 32.288 32.500 0.177 0.000 0.780 37 K HN -0.177 8.264 8.250 0.331 0.008 0.483 38 D N -2.977 117.483 120.400 0.100 0.000 2.620 38 D HA 0.099 4.725 4.640 -0.024 0.000 0.260 38 D C -1.239 175.004 176.300 -0.094 0.000 1.367 38 D CA -0.637 53.378 54.000 0.025 0.000 0.805 38 D CB 0.829 41.680 40.800 0.085 0.000 1.096 38 D HN -0.100 8.164 8.370 0.202 0.228 0.488 39 C N 1.831 121.068 119.300 -0.104 0.000 2.638 39 C HA 0.356 4.501 4.460 -0.525 0.000 0.410 39 C C 0.386 175.177 174.990 -0.332 0.000 1.404 39 C CA -2.169 56.698 59.018 -0.252 0.000 1.651 39 C CB -0.213 27.429 27.740 -0.163 0.000 2.495 39 C HN -0.311 7.704 8.230 -0.078 0.168 0.606 40 P HA 0.007 4.307 4.420 -0.201 0.000 0.242 40 P C -0.768 176.462 177.300 -0.117 0.000 1.197 40 P CA 0.369 63.321 63.100 -0.247 0.000 0.765 40 P CB -0.409 31.141 31.700 -0.251 0.000 0.936 41 K N -2.338 118.017 120.400 -0.075 0.000 2.352 41 K HA -0.003 4.336 4.320 0.031 0.000 0.194 41 K C 0.291 176.908 176.600 0.029 0.000 1.038 41 K CA -0.348 55.963 56.287 0.039 0.000 1.023 41 K CB 0.670 33.273 32.500 0.171 0.000 0.840 41 K HN -0.614 7.488 8.250 -0.107 0.084 0.519 42 K N 0.567 120.891 120.400 -0.125 0.000 2.440 42 K HA -0.137 4.112 4.320 -0.118 0.000 0.270 42 K C -1.378 175.191 176.600 -0.052 0.000 0.980 42 K CA -0.472 55.715 56.287 -0.166 0.000 0.953 42 K CB -0.490 31.819 32.500 -0.319 0.000 0.925 42 K HN -0.722 7.254 8.250 -0.207 0.151 0.497 43 P HA 0.087 4.511 4.420 0.006 0.000 0.276 43 P C -0.712 176.579 177.300 -0.016 0.000 1.244 43 P CA -0.374 62.727 63.100 0.002 0.000 0.801 43 P CB 0.524 32.239 31.700 0.025 0.000 1.006 44 R N 0.234 120.728 120.500 -0.011 0.000 2.801 44 R HA -0.064 4.262 4.340 -0.023 0.000 0.273 44 R C 0.341 176.635 176.300 -0.011 0.000 1.080 44 R CA 0.286 56.377 56.100 -0.014 0.000 1.197 44 R CB 0.597 30.891 30.300 -0.010 0.000 1.109 44 R HN 0.151 8.419 8.270 -0.004 0.000 0.535 45 G N -0.586 108.207 108.800 -0.012 0.000 2.687 45 G HA2 0.198 4.236 3.960 -0.004 0.000 0.291 45 G HA3 0.198 4.152 3.960 -0.010 0.000 0.291 45 G C -2.420 172.476 174.900 -0.008 0.000 1.420 45 G CA -0.703 44.392 45.100 -0.008 0.000 0.796 45 G HN -0.134 8.147 8.290 -0.014 0.000 0.485 46 P HA 0.258 4.675 4.420 -0.004 0.000 0.276 46 P C -1.244 176.056 177.300 -0.000 0.000 1.230 46 P CA -0.471 62.627 63.100 -0.003 0.000 0.776 46 P CB 0.901 32.600 31.700 -0.002 0.000 0.888 47 R N 1.548 122.049 120.500 0.002 0.000 3.146 47 R HA 0.086 4.428 4.340 0.004 0.000 0.235 47 R C -0.934 175.371 176.300 0.009 0.000 1.624 47 R CA -0.038 56.065 56.100 0.005 0.000 0.995 47 R CB 0.820 31.123 30.300 0.005 0.000 1.490 47 R HN 0.120 8.391 8.270 0.002 0.000 0.434 48 G N 2.724 111.530 108.800 0.009 0.000 2.454 48 G HA2 0.381 4.351 3.960 0.016 0.000 0.329 48 G HA3 0.381 4.349 3.960 0.013 0.000 0.329 48 G C -2.071 172.837 174.900 0.012 0.000 1.177 48 G CA -1.350 43.758 45.100 0.013 0.000 0.951 48 G HN -0.100 8.194 8.290 0.008 0.000 0.485 49 P HA 0.438 4.865 4.420 0.012 0.000 0.277 49 P C -0.981 176.325 177.300 0.011 0.000 1.240 49 P CA -0.702 62.406 63.100 0.013 0.000 0.798 49 P CB 1.497 33.206 31.700 0.015 0.000 0.979 50 R N 0.815 121.320 120.500 0.009 0.000 2.711 50 R HA 0.316 4.661 4.340 0.008 0.000 0.284 50 R C -0.969 175.335 176.300 0.008 0.000 0.968 50 R CA -1.255 54.850 56.100 0.008 0.000 0.924 50 R CB 1.000 31.304 30.300 0.007 0.000 1.162 50 R HN 0.392 8.667 8.270 0.009 0.000 0.465 51 P HA -0.062 4.362 4.420 0.007 0.000 0.217 51 P C -1.135 176.168 177.300 0.005 0.000 1.154 51 P CA 0.309 63.413 63.100 0.006 0.000 0.841 51 P CB 0.384 32.088 31.700 0.006 0.000 0.788 52 Q N -0.529 119.274 119.800 0.005 0.000 2.406 52 Q HA -0.225 4.117 4.340 0.004 0.000 0.320 52 Q C -1.129 174.874 176.000 0.004 0.000 1.288 52 Q CA 0.031 55.837 55.803 0.004 0.000 0.925 52 Q CB 0.124 28.865 28.738 0.004 0.000 1.019 52 Q HN -0.096 8.177 8.270 0.005 0.000 0.300 53 T N 1.800 116.356 114.554 0.004 0.000 2.909 53 T HA 0.080 4.432 4.350 0.003 0.000 0.289 53 T C -0.052 174.650 174.700 0.003 0.000 1.005 53 T CA 0.404 62.506 62.100 0.003 0.000 1.084 53 T CB 0.537 69.407 68.868 0.003 0.000 0.975 53 T HN 0.054 8.296 8.240 0.004 0.000 0.509 54 S N 5.602 121.304 115.700 0.003 0.000 2.333 54 S HA 0.056 4.527 4.470 0.002 0.000 0.208 54 S C -1.580 173.021 174.600 0.002 0.000 0.911 54 S CA 1.101 59.303 58.200 0.002 0.000 1.075 54 S CB 0.139 63.340 63.200 0.002 0.000 1.293 54 S HN 0.316 8.628 8.310 0.003 0.000 0.396 55 L N 4.568 125.793 121.223 0.002 0.000 0.590 55 L HA -0.339 4.002 4.340 0.002 0.000 0.356 55 L C -0.657 176.214 176.870 0.002 0.000 1.004 55 L CA 0.416 55.257 54.840 0.002 0.000 1.223 55 L CB 0.487 42.547 42.059 0.002 0.000 0.012 55 L HN 0.172 8.403 8.230 0.002 0.000 0.094 56 L N 0.000 121.224 121.223 0.002 0.000 0.000 56 L HA 0.000 4.341 4.340 0.001 0.000 0.000 56 L CA 0.000 54.841 54.840 0.002 0.000 0.000 56 L CB 0.000 42.060 42.059 0.001 0.000 0.000 56 L HN 0.000 8.231 8.230 0.002 0.000 0.000