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 1wwg_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 4.321 4.320 0.001 0.000 0.244 1 A C 0.000 177.585 177.584 0.002 0.000 1.274 1 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1 A CB 0.000 19.001 19.000 0.001 0.000 0.831 2 T N -0.053 114.502 114.554 0.002 0.000 3.548 2 T HA 0.524 4.875 4.350 0.002 0.000 0.329 2 T C -2.026 172.675 174.700 0.002 0.000 0.960 2 T CA 0.038 62.139 62.100 0.002 0.000 1.041 2 T CB 0.734 69.603 68.868 0.002 0.000 1.065 2 T HN 0.668 8.909 8.240 0.001 0.000 0.459 3 V N 7.647 127.562 119.914 0.002 0.000 3.174 3 V HA 0.167 4.288 4.120 0.002 0.000 0.280 3 V C -2.045 174.050 176.094 0.002 0.000 1.554 3 V CA 0.217 62.518 62.300 0.002 0.000 1.016 3 V CB 1.863 33.687 31.823 0.002 0.000 1.197 3 V HN 0.250 8.441 8.190 0.002 0.000 0.453 4 V N 1.505 121.420 119.914 0.002 0.000 3.013 4 V HA 0.213 4.335 4.120 0.003 0.000 0.238 4 V C -0.526 175.570 176.094 0.002 0.000 1.161 4 V CA 0.513 62.814 62.300 0.003 0.000 1.170 4 V CB 0.860 32.684 31.823 0.003 0.000 0.917 4 V HN 0.617 8.808 8.190 0.002 0.000 0.478 5 S N -0.446 115.255 115.700 0.002 0.000 2.288 5 S HA -0.027 4.443 4.470 0.001 0.000 0.214 5 S C -0.458 174.142 174.600 0.001 0.000 0.720 5 S CA 0.175 58.376 58.200 0.001 0.000 0.934 5 S CB 0.543 63.744 63.200 0.002 0.000 1.349 5 S HN -0.588 7.724 8.310 0.002 0.000 0.382 6 G N 3.116 111.917 108.800 0.001 0.000 2.684 6 G HA2 -0.372 3.588 3.960 0.000 0.000 0.342 6 G HA3 -0.372 3.588 3.960 0.000 0.000 0.342 6 G C -1.246 173.654 174.900 0.000 0.000 1.316 6 G CA 0.343 45.443 45.100 0.000 0.000 0.994 6 G HN -0.010 8.280 8.290 0.001 0.000 0.541 7 Q N -1.505 118.295 119.800 -0.000 0.000 3.227 7 Q HA -0.236 4.103 4.340 -0.001 0.000 0.026 7 Q C -1.727 174.272 176.000 -0.001 0.000 1.706 7 Q CA 0.719 56.522 55.803 -0.001 0.000 0.243 7 Q CB 0.453 29.191 28.738 -0.000 0.000 0.584 7 Q HN 0.036 8.306 8.270 -0.000 0.000 0.322 8 K N 1.688 122.087 120.400 -0.001 0.000 3.204 8 K HA 0.131 4.450 4.320 -0.001 0.000 0.196 8 K C -1.308 175.291 176.600 -0.002 0.000 1.229 8 K CA 0.071 56.357 56.287 -0.001 0.000 0.820 8 K CB 0.104 32.603 32.500 -0.001 0.000 1.130 8 K HN 0.191 8.440 8.250 -0.002 0.000 0.569 9 Q N 0.331 120.130 119.800 -0.003 0.000 2.456 9 Q HA 0.415 4.753 4.340 -0.003 0.000 0.283 9 Q C -2.060 173.937 176.000 -0.004 0.000 1.084 9 Q CA -0.883 54.917 55.803 -0.004 0.000 0.801 9 Q CB 3.270 32.005 28.738 -0.005 0.000 1.434 9 Q HN -0.034 8.235 8.270 -0.002 0.000 0.419 10 D N 0.107 120.505 120.400 -0.004 0.000 2.747 10 D HA 0.281 4.918 4.640 -0.005 0.000 0.218 10 D C -2.103 174.194 176.300 -0.005 0.000 1.230 10 D CA -0.054 53.944 54.000 -0.004 0.000 0.774 10 D CB 1.755 42.553 40.800 -0.003 0.000 1.667 10 D HN 0.212 8.579 8.370 -0.005 0.000 0.499 11 R N 2.878 123.374 120.500 -0.006 0.000 2.644 11 R HA 0.141 4.477 4.340 -0.006 0.000 0.257 11 R C -1.086 175.209 176.300 -0.008 0.000 1.082 11 R CA -0.299 55.796 56.100 -0.007 0.000 0.927 11 R CB 1.702 31.997 30.300 -0.009 0.000 1.258 11 R HN 0.223 8.489 8.270 -0.006 0.000 0.459 12 Q N 2.516 122.312 119.800 -0.007 0.000 2.141 12 Q HA 0.116 4.452 4.340 -0.007 0.000 0.194 12 Q C 0.074 176.067 176.000 -0.010 0.000 0.975 12 Q CA 0.232 56.030 55.803 -0.007 0.000 0.834 12 Q CB 0.530 29.265 28.738 -0.005 0.000 0.916 12 Q HN 0.448 8.714 8.270 -0.007 0.000 0.484 13 G N -3.562 105.232 108.800 -0.010 0.000 2.674 13 G HA2 -0.132 3.821 3.960 -0.012 0.000 0.686 13 G HA3 -0.132 3.819 3.960 -0.015 0.000 0.686 13 G C -1.732 173.162 174.900 -0.011 0.000 1.195 13 G CA -1.124 43.969 45.100 -0.012 0.000 0.776 13 G HN -0.432 7.853 8.290 -0.009 0.000 0.654 14 G N -0.086 108.707 108.800 -0.011 0.000 3.324 14 G HA2 -0.044 3.911 3.960 -0.009 0.000 0.188 14 G HA3 -0.044 3.911 3.960 -0.009 0.000 0.188 14 G C -0.742 174.151 174.900 -0.012 0.000 1.384 14 G CA -0.149 44.945 45.100 -0.010 0.000 0.841 14 G HN -0.164 8.119 8.290 -0.012 0.000 0.758 15 E N 2.059 122.253 120.200 -0.011 0.000 2.900 15 E HA -0.254 4.089 4.350 -0.011 0.000 0.259 15 E C -0.586 176.005 176.600 -0.015 0.000 0.918 15 E CA 1.150 57.543 56.400 -0.012 0.000 0.960 15 E CB 0.179 29.873 29.700 -0.011 0.000 0.908 15 E HN -0.109 8.246 8.360 -0.009 0.000 0.511 16 R N 4.894 125.384 120.500 -0.017 0.000 3.179 16 R HA 0.002 4.330 4.340 -0.020 0.000 0.288 16 R C -1.328 174.959 176.300 -0.022 0.000 1.263 16 R CA -0.197 55.890 56.100 -0.021 0.000 1.013 16 R CB 0.847 31.133 30.300 -0.023 0.000 1.379 16 R HN 0.095 8.356 8.270 -0.015 0.000 0.367 17 R N 4.371 124.857 120.500 -0.022 0.000 2.698 17 R HA -0.194 4.133 4.340 -0.021 0.000 0.266 17 R C -0.530 175.752 176.300 -0.030 0.000 1.026 17 R CA 0.770 56.856 56.100 -0.023 0.000 1.102 17 R CB 0.932 31.219 30.300 -0.022 0.000 0.978 17 R HN 0.274 8.532 8.270 -0.020 0.000 0.436 18 R N 2.986 123.467 120.500 -0.032 0.000 3.081 18 R HA 0.049 4.363 4.340 -0.043 0.000 0.280 18 R C -0.325 175.947 176.300 -0.046 0.000 1.372 18 R CA -0.396 55.679 56.100 -0.042 0.000 1.242 18 R CB -1.402 28.872 30.300 -0.044 0.000 1.316 18 R HN 0.473 8.726 8.270 -0.029 0.000 0.585 19 S N -1.344 114.332 115.700 -0.040 0.000 2.970 19 S HA -0.447 4.003 4.470 -0.033 0.000 0.626 19 S C -0.284 174.292 174.600 -0.042 0.000 3.107 19 S CA 1.395 59.571 58.200 -0.039 0.000 3.861 19 S CB -0.314 62.860 63.200 -0.044 0.000 0.359 19 S HN -0.295 7.891 8.310 -0.035 0.103 1.476 20 Q N 0.886 120.659 119.800 -0.045 0.000 2.399 20 Q HA 0.090 4.407 4.340 -0.039 0.000 0.307 20 Q C -0.035 175.927 176.000 -0.062 0.000 0.933 20 Q CA -0.893 54.883 55.803 -0.045 0.000 0.995 20 Q CB -0.429 28.286 28.738 -0.037 0.000 1.191 20 Q HN 0.084 8.327 8.270 -0.045 0.000 0.426 21 L N 1.935 123.113 121.223 -0.076 0.000 2.852 21 L HA -0.339 3.923 4.340 -0.128 0.000 0.281 21 L C -0.417 176.386 176.870 -0.113 0.000 1.110 21 L CA 0.859 55.632 54.840 -0.112 0.000 1.030 21 L CB -0.745 41.243 42.059 -0.118 0.000 1.405 21 L HN -0.454 7.646 8.230 -0.067 0.090 0.464 22 D N 4.737 125.063 120.400 -0.123 0.000 2.313 22 D HA 0.048 4.651 4.640 -0.061 0.000 0.247 22 D C 1.323 177.548 176.300 -0.126 0.000 1.094 22 D CA -0.590 53.354 54.000 -0.093 0.000 0.925 22 D CB 1.892 42.649 40.800 -0.071 0.000 1.188 22 D HN -0.402 8.132 8.370 -0.134 -0.245 0.430 23 R N 1.079 121.560 120.500 -0.031 0.000 2.328 23 R HA -0.224 4.113 4.340 -0.005 0.000 0.207 23 R C -0.617 175.797 176.300 0.188 0.000 1.056 23 R CA 1.608 57.747 56.100 0.064 0.000 1.016 23 R CB -0.092 30.291 30.300 0.138 0.000 0.872 23 R HN 0.452 8.721 8.270 -0.001 0.000 0.471 24 D N -8.200 112.242 120.400 0.069 0.000 2.650 24 D HA 0.098 5.026 4.640 0.480 0.000 0.265 24 D C -1.722 174.551 176.300 -0.044 0.000 1.339 24 D CA -1.068 53.028 54.000 0.160 0.000 0.816 24 D CB -0.888 39.997 40.800 0.142 0.000 1.091 24 D HN -0.132 8.160 8.370 -0.009 0.073 0.483 25 Q N -1.054 118.597 119.800 -0.250 0.000 2.576 25 Q HA 0.305 4.562 4.340 -0.218 -0.048 0.249 25 Q C -1.780 173.967 176.000 -0.421 0.000 1.041 25 Q CA -1.101 54.534 55.803 -0.280 0.000 0.928 25 Q CB 4.509 33.119 28.738 -0.214 0.000 1.302 25 Q HN -0.288 7.632 8.270 -0.346 0.142 0.504 26 C N -0.741 118.363 119.300 -0.328 0.000 2.379 26 C HA 0.362 4.662 4.460 -0.267 0.000 0.323 26 C C -1.272 173.634 174.990 -0.140 0.000 1.262 26 C CA -1.576 57.299 59.018 -0.239 0.000 1.581 26 C CB 1.898 29.504 27.740 -0.224 0.000 2.221 26 C HN 0.572 8.638 8.230 -0.273 0.000 0.497 27 A N 7.920 130.679 122.820 -0.101 0.000 2.640 27 A HA 0.091 4.362 4.320 -0.082 0.000 0.282 27 A C -1.369 176.256 177.584 0.067 0.000 1.357 27 A CA -0.095 51.909 52.037 -0.056 0.000 0.946 27 A CB -1.152 17.786 19.000 -0.103 0.000 1.065 27 A HN 0.675 8.758 8.150 -0.112 0.000 0.541 28 Y N -1.665 118.615 120.300 -0.033 0.000 3.011 28 Y HA 0.122 4.671 4.550 -0.002 0.000 0.231 28 Y C 0.337 176.244 175.900 0.012 0.000 0.983 28 Y CA 1.706 59.809 58.100 0.006 0.000 1.429 28 Y CB 2.387 40.876 38.460 0.048 0.000 1.491 28 Y HN -0.596 7.690 8.280 0.162 0.091 0.444 29 C N -3.595 115.878 119.300 0.287 0.000 2.590 29 C HA 0.153 4.682 4.460 0.114 0.000 0.272 29 C C -0.268 174.758 174.990 0.061 0.000 1.338 29 C CA -0.596 58.527 59.018 0.175 0.000 1.746 29 C CB 1.844 29.735 27.740 0.252 0.000 2.020 29 C HN -0.241 8.205 8.230 0.360 0.000 0.531 30 K N -2.038 118.377 120.400 0.025 0.000 3.366 30 K HA -0.348 4.115 4.320 -0.061 -0.180 0.285 30 K C -1.123 175.439 176.600 -0.064 0.000 1.356 30 K CA 0.773 57.038 56.287 -0.036 0.000 0.847 30 K CB -2.034 30.448 32.500 -0.030 0.000 1.587 30 K HN -0.155 8.123 8.250 0.047 0.000 0.504 31 E N -0.595 119.544 120.200 -0.101 0.000 2.342 31 E HA 0.046 4.349 4.350 -0.078 0.000 0.257 31 E C -1.936 174.510 176.600 -0.258 0.000 1.150 31 E CA -0.361 55.940 56.400 -0.165 0.000 0.926 31 E CB 1.928 31.527 29.700 -0.168 0.000 1.074 31 E HN -0.634 7.678 8.360 -0.080 0.000 0.449 32 K N 0.028 120.314 120.400 -0.190 0.000 2.463 32 K HA 0.094 4.305 4.320 -0.183 0.000 0.255 32 K C -0.684 175.854 176.600 -0.103 0.000 0.942 32 K CA -0.759 55.440 56.287 -0.146 0.000 0.814 32 K CB 1.605 34.059 32.500 -0.078 0.000 1.122 32 K HN 0.135 8.311 8.250 -0.125 0.000 0.425 33 G N 4.806 113.558 108.800 -0.080 0.000 2.905 33 G HA2 -0.153 3.839 3.960 0.052 0.000 0.196 33 G HA3 -0.153 3.833 3.960 0.043 0.000 0.196 33 G C -1.835 173.136 174.900 0.117 0.000 1.044 33 G CA -0.011 45.106 45.100 0.028 0.000 0.778 33 G HN 0.525 8.756 8.290 -0.098 0.000 0.474 34 H N -1.554 117.581 119.070 0.109 0.000 2.670 34 H HA 0.237 4.908 4.556 0.192 0.000 0.361 34 H C -2.343 173.110 175.328 0.209 0.000 1.169 34 H CA -2.023 54.119 56.048 0.156 0.000 1.198 34 H CB 1.863 31.680 29.762 0.092 0.000 1.700 34 H HN -0.377 7.689 8.280 -0.357 0.000 0.542 35 W N -2.274 119.136 121.300 0.182 0.000 2.359 35 W HA 0.211 5.101 4.660 0.049 -0.200 0.344 35 W C 1.759 178.393 176.519 0.191 0.000 1.170 35 W CA -0.451 56.962 57.345 0.113 0.000 1.296 35 W CB 1.341 30.838 29.460 0.061 0.000 1.197 35 W HN 0.097 8.619 8.180 0.570 0.000 0.618 36 A N 3.883 126.850 122.820 0.245 0.000 1.908 36 A HA -0.300 4.131 4.320 0.185 0.000 0.218 36 A C 1.876 179.529 177.584 0.114 0.000 1.181 36 A CA 3.126 55.266 52.037 0.172 0.000 0.627 36 A CB -0.207 18.881 19.000 0.147 0.000 0.818 36 A HN 0.648 8.846 8.150 0.080 0.000 0.445 37 K N -5.513 115.013 120.400 0.211 0.000 2.442 37 K HA -0.192 4.162 4.320 0.057 0.000 0.198 37 K C -0.355 176.286 176.600 0.068 0.000 1.044 37 K CA 1.805 58.166 56.287 0.124 0.000 0.948 37 K CB -0.583 32.014 32.500 0.161 0.000 0.762 37 K HN 0.146 8.611 8.250 0.356 -0.001 0.472 38 D N -2.887 117.585 120.400 0.119 0.000 2.535 38 D HA 0.155 4.790 4.640 -0.007 0.000 0.229 38 D C -0.804 175.446 176.300 -0.083 0.000 1.238 38 D CA -0.523 53.504 54.000 0.045 0.000 0.824 38 D CB 1.329 42.199 40.800 0.117 0.000 1.045 38 D HN -0.221 8.132 8.370 0.230 0.155 0.500 39 C N 1.503 120.745 119.300 -0.097 0.000 2.633 39 C HA 0.336 4.399 4.460 -0.661 0.000 0.415 39 C C 0.290 175.068 174.990 -0.353 0.000 1.393 39 C CA -2.248 56.595 59.018 -0.291 0.000 1.700 39 C CB 0.006 27.632 27.740 -0.190 0.000 2.541 39 C HN -0.148 7.865 8.230 -0.045 0.190 0.603 40 P HA 0.008 4.304 4.420 -0.208 0.000 0.245 40 P C -0.739 176.473 177.300 -0.147 0.000 1.212 40 P CA 0.528 63.477 63.100 -0.251 0.000 0.774 40 P CB -0.387 31.170 31.700 -0.238 0.000 0.999 41 K N -2.612 117.702 120.400 -0.144 0.000 2.334 41 K HA 0.029 4.340 4.320 -0.015 0.000 0.195 41 K C 0.178 176.716 176.600 -0.102 0.000 1.045 41 K CA -0.374 55.885 56.287 -0.047 0.000 1.004 41 K CB 0.767 33.328 32.500 0.101 0.000 0.837 41 K HN -0.696 7.349 8.250 -0.199 0.085 0.510 42 K N 0.542 120.780 120.400 -0.270 0.000 2.363 42 K HA 0.016 4.190 4.320 -0.242 0.000 0.289 42 K C -0.778 175.750 176.600 -0.120 0.000 1.063 42 K CA -0.797 55.328 56.287 -0.271 0.000 0.967 42 K CB -0.081 32.185 32.500 -0.390 0.000 0.987 42 K HN -0.672 7.264 8.250 -0.322 0.120 0.473 43 P HA -0.032 4.368 4.420 -0.034 0.000 0.214 43 P C -1.066 176.217 177.300 -0.029 0.000 1.167 43 P CA 0.819 63.902 63.100 -0.028 0.000 0.882 43 P CB 0.428 32.128 31.700 -0.000 0.000 0.777 44 R N -2.311 118.178 120.500 -0.019 0.000 2.644 44 R HA 0.097 4.422 4.340 -0.024 0.000 0.257 44 R C -2.327 173.972 176.300 -0.002 0.000 1.082 44 R CA -0.863 55.229 56.100 -0.013 0.000 0.927 44 R CB 0.638 30.935 30.300 -0.006 0.000 1.258 44 R HN -0.376 7.889 8.270 -0.008 0.000 0.459 45 G N 0.933 109.732 108.800 -0.002 0.000 2.818 45 G HA2 0.337 4.363 3.960 0.020 0.000 0.286 45 G HA3 0.337 4.303 3.960 0.011 0.000 0.286 45 G C -1.815 173.091 174.900 0.011 0.000 1.364 45 G CA -0.756 44.350 45.100 0.011 0.000 0.938 45 G HN -0.129 8.156 8.290 -0.008 0.000 0.490 46 P HA 0.299 4.737 4.420 0.030 0.000 0.274 46 P C -1.158 176.160 177.300 0.031 0.000 1.246 46 P CA -0.648 62.468 63.100 0.027 0.000 0.795 46 P CB 1.151 32.867 31.700 0.027 0.000 1.006 47 R N 0.096 120.623 120.500 0.045 0.000 2.668 47 R HA 0.153 4.516 4.340 0.038 0.000 0.279 47 R C 0.568 176.892 176.300 0.041 0.000 0.976 47 R CA -0.692 55.436 56.100 0.047 0.000 0.978 47 R CB 1.437 31.780 30.300 0.072 0.000 1.133 47 R HN 0.034 8.337 8.270 0.054 0.000 0.484 48 G N 2.279 111.099 108.800 0.032 0.000 2.828 48 G HA2 -0.102 3.871 3.960 0.022 0.000 0.262 48 G HA3 -0.102 3.874 3.960 0.026 0.000 0.262 48 G C -1.760 173.152 174.900 0.020 0.000 1.033 48 G CA -0.851 44.264 45.100 0.025 0.000 1.248 48 G HN 0.128 8.437 8.290 0.031 0.000 0.551 49 P HA 0.141 4.569 4.420 0.015 0.000 0.268 49 P C -1.180 176.127 177.300 0.012 0.000 1.541 49 P CA -0.543 62.565 63.100 0.014 0.000 1.093 49 P CB -0.094 31.614 31.700 0.012 0.000 1.551 50 R N 4.487 124.994 120.500 0.012 0.000 2.407 50 R HA 0.368 4.713 4.340 0.009 0.000 0.298 50 R C -1.755 174.551 176.300 0.009 0.000 1.166 50 R CA -2.015 54.091 56.100 0.010 0.000 1.006 50 R CB 1.529 31.835 30.300 0.010 0.000 1.145 50 R HN -0.119 8.159 8.270 0.014 0.000 0.538 51 P HA 0.075 4.500 4.420 0.008 0.000 0.235 51 P C -1.368 175.936 177.300 0.007 0.000 1.765 51 P CA -0.270 62.834 63.100 0.007 0.000 1.034 51 P CB -0.626 31.078 31.700 0.007 0.000 1.984 52 Q N 1.920 121.724 119.800 0.007 0.000 2.607 52 Q HA 0.325 4.669 4.340 0.006 0.000 0.247 52 Q C -0.873 175.131 176.000 0.007 0.000 1.033 52 Q CA -0.818 54.989 55.803 0.007 0.000 0.769 52 Q CB 0.371 29.113 28.738 0.006 0.000 1.169 52 Q HN 0.137 8.368 8.270 0.008 0.044 0.508 53 T N 5.289 119.847 114.554 0.006 0.000 4.098 53 T HA 0.082 4.436 4.350 0.007 0.000 0.291 53 T C -0.850 173.853 174.700 0.006 0.000 1.440 53 T CA 0.879 62.983 62.100 0.006 0.000 1.164 53 T CB -0.575 68.297 68.868 0.006 0.000 1.313 53 T HN 0.355 8.599 8.240 0.006 0.000 0.951 54 S N 3.699 119.403 115.700 0.006 0.000 2.387 54 S HA 0.073 4.546 4.470 0.005 0.000 0.211 54 S C -1.216 173.388 174.600 0.006 0.000 1.055 54 S CA 0.314 58.517 58.200 0.005 0.000 1.133 54 S CB 1.397 64.600 63.200 0.005 0.000 1.235 54 S HN -0.052 8.216 8.310 0.006 0.045 0.425 55 L N 5.846 127.073 121.223 0.006 0.000 1.301 55 L HA 0.002 4.345 4.340 0.006 0.000 0.088 55 L C -1.609 175.265 176.870 0.007 0.000 1.466 55 L CA 1.298 56.142 54.840 0.006 0.000 1.141 55 L CB 0.160 42.223 42.059 0.007 0.000 2.338 55 L HN -0.231 8.003 8.230 0.006 0.000 0.453 56 L N 0.000 121.227 121.223 0.007 0.000 0.000 56 L HA 0.000 4.345 4.340 0.009 0.000 0.000 56 L CA 0.000 54.845 54.840 0.008 0.000 0.000 56 L CB 0.000 42.063 42.059 0.007 0.000 0.000 56 L HN 0.000 8.235 8.230 0.008 0.000 0.000