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 1prl_1_C DATA FIRST_RESID 9 DATA SEQUENCE TFVALYDYES RTETDLSFKK GERLQIVNNT EGDWWLAHSL TTGQTGYIPS DATA SEQUENCE NYVAPS 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 9 T HA 0.000 4.449 4.350 0.166 0.000 0.228 9 T C 0.000 174.881 174.700 0.302 0.000 1.109 9 T CA 0.000 62.209 62.100 0.181 0.000 1.349 9 T CB 0.000 68.925 68.868 0.095 0.000 0.612 10 F N 2.958 122.894 119.950 -0.023 0.000 2.380 10 F HA 0.192 4.707 4.527 -0.020 0.000 0.321 10 F C -0.934 174.827 175.800 -0.066 0.000 1.103 10 F CA -1.398 56.584 58.000 -0.031 0.000 1.067 10 F CB 1.808 40.803 39.000 -0.008 0.000 1.265 10 F HN 0.117 8.637 8.300 0.365 0.000 0.517 11 V N 0.120 120.035 119.914 0.002 0.000 2.540 11 V HA 0.193 4.288 4.120 -0.042 0.000 0.302 11 V C -1.628 174.402 176.094 -0.107 0.000 1.035 11 V CA -1.963 60.304 62.300 -0.054 0.000 0.873 11 V CB 3.118 34.904 31.823 -0.060 0.000 0.992 11 V HN -0.081 8.050 8.190 -0.098 0.000 0.428 12 A N 7.478 130.197 122.820 -0.168 0.000 2.410 12 A HA 0.337 4.604 4.320 -0.270 -0.110 0.292 12 A C -0.190 177.410 177.584 0.028 0.000 1.232 12 A CA -0.513 51.404 52.037 -0.199 0.000 0.893 12 A CB -0.201 18.559 19.000 -0.400 0.000 1.131 12 A HN 0.151 8.211 8.150 -0.149 0.000 0.530 13 L N 4.061 125.265 121.223 -0.031 0.000 2.034 13 L HA -0.126 4.263 4.340 0.082 0.000 0.203 13 L C 0.210 177.261 176.870 0.302 0.000 1.074 13 L CA 2.154 57.005 54.840 0.019 0.000 0.748 13 L CB 0.360 42.255 42.059 -0.274 0.000 0.905 13 L HN -0.122 7.950 8.230 -0.124 0.084 0.439 14 Y N -3.893 116.501 120.300 0.156 0.000 2.334 14 Y HA 0.025 4.572 4.550 -0.005 0.000 0.328 14 Y C -1.015 174.896 175.900 0.018 0.000 1.130 14 Y CA -3.664 54.442 58.100 0.011 0.000 1.163 14 Y CB 0.561 38.931 38.460 -0.149 0.000 1.207 14 Y HN -0.789 7.221 8.280 -0.268 0.109 0.471 15 D N 0.468 120.916 120.400 0.080 0.000 2.389 15 D HA -0.253 4.620 4.640 0.085 -0.181 0.263 15 D C -0.671 175.437 176.300 -0.319 0.000 1.255 15 D CA -0.045 53.925 54.000 -0.050 0.000 0.914 15 D CB -0.884 39.878 40.800 -0.064 0.000 1.116 15 D HN 0.098 8.510 8.370 0.071 0.000 0.502 16 Y N 4.736 124.515 120.300 -0.869 0.000 2.436 16 Y HA -0.094 4.128 4.550 -0.548 0.000 0.343 16 Y C -1.743 173.849 175.900 -0.513 0.000 1.008 16 Y CA -1.241 56.371 58.100 -0.812 0.000 1.241 16 Y CB 0.975 38.632 38.460 -1.337 0.000 1.153 16 Y HN -0.061 7.535 8.280 -1.140 0.000 0.521 17 E N 8.551 128.446 120.200 -0.508 0.000 2.035 17 E HA 0.062 4.091 4.350 -0.535 0.000 0.271 17 E C -1.381 174.851 176.600 -0.614 0.000 0.953 17 E CA -1.662 54.432 56.400 -0.510 0.000 0.777 17 E CB 0.458 30.024 29.700 -0.224 0.000 1.104 17 E HN 0.213 8.482 8.360 -0.151 0.000 0.408 18 S N 5.184 120.382 115.700 -0.837 0.000 2.592 18 S HA -0.049 4.257 4.470 -0.274 0.000 0.271 18 S C 0.257 174.763 174.600 -0.156 0.000 1.326 18 S CA 1.121 59.053 58.200 -0.447 0.000 1.024 18 S CB 0.845 63.856 63.200 -0.315 0.000 0.921 18 S HN 0.230 8.028 8.310 -0.853 0.000 0.527 19 R N 3.294 123.772 120.500 -0.036 0.000 2.290 19 R HA 0.161 4.476 4.340 -0.041 0.000 0.197 19 R C -0.039 176.247 176.300 -0.024 0.000 0.913 19 R CA 0.749 56.834 56.100 -0.024 0.000 1.040 19 R CB 0.234 30.538 30.300 0.007 0.000 0.992 19 R HN 0.475 8.762 8.270 0.028 0.000 0.500 20 T N -1.912 112.631 114.554 -0.018 0.000 2.905 20 T HA 0.236 4.576 4.350 -0.017 0.000 0.283 20 T C -0.356 174.342 174.700 -0.003 0.000 1.031 20 T CA -2.171 59.921 62.100 -0.013 0.000 1.002 20 T CB 1.231 70.088 68.868 -0.019 0.000 1.200 20 T HN -0.726 7.471 8.240 -0.008 0.039 0.560 21 E N 0.040 120.243 120.200 0.005 0.000 2.385 21 E HA -0.048 4.309 4.350 0.010 0.000 0.194 21 E C 0.808 177.438 176.600 0.049 0.000 1.013 21 E CA 1.047 57.458 56.400 0.018 0.000 0.866 21 E CB -0.123 29.585 29.700 0.014 0.000 0.832 21 E HN 0.239 8.600 8.360 0.000 0.000 0.500 22 T N 1.871 116.458 114.554 0.056 0.000 2.545 22 T HA -0.293 4.123 4.350 0.110 0.000 0.261 22 T C -0.010 174.807 174.700 0.194 0.000 1.097 22 T CA 3.048 65.213 62.100 0.108 0.000 1.189 22 T CB 0.192 69.096 68.868 0.061 0.000 0.863 22 T HN -0.696 7.527 8.240 0.029 0.034 0.405 23 D N 0.880 121.412 120.400 0.221 0.000 2.383 23 D HA -0.008 4.957 4.640 0.436 -0.064 0.252 23 D C -0.612 175.828 176.300 0.233 0.000 1.166 23 D CA -0.123 54.088 54.000 0.352 0.000 0.879 23 D CB -0.019 41.063 40.800 0.470 0.000 1.164 23 D HN -0.035 8.421 8.370 0.144 0.000 0.462 24 L N 1.129 122.493 121.223 0.235 0.000 2.453 24 L HA 0.112 4.491 4.340 0.064 0.000 0.261 24 L C 0.717 177.639 176.870 0.087 0.000 1.179 24 L CA -0.433 54.487 54.840 0.132 0.000 0.813 24 L CB 0.507 42.648 42.059 0.136 0.000 1.110 24 L HN -0.004 8.392 8.230 0.276 0.000 0.466 25 S N -0.040 115.624 115.700 -0.061 0.000 2.525 25 S HA 0.440 4.637 4.470 -0.586 -0.079 0.290 25 S C -0.984 173.583 174.600 -0.055 0.000 1.152 25 S CA -0.712 57.317 58.200 -0.285 0.000 1.072 25 S CB 1.283 64.279 63.200 -0.340 0.000 1.027 25 S HN -0.154 8.134 8.310 -0.037 0.000 0.500 26 F N -0.623 119.359 119.950 0.053 0.000 2.565 26 F HA 0.454 5.008 4.527 0.044 0.000 0.313 26 F C -1.783 174.052 175.800 0.059 0.000 1.091 26 F CA -2.135 55.910 58.000 0.075 0.000 0.915 26 F CB 2.243 41.319 39.000 0.127 0.000 1.208 26 F HN -0.103 7.634 8.300 -0.938 0.000 0.453 27 K N 0.455 121.014 120.400 0.264 0.000 2.488 27 K HA 0.003 4.377 4.320 0.091 0.000 0.255 27 K C -0.310 176.447 176.600 0.262 0.000 1.036 27 K CA -1.203 55.188 56.287 0.173 0.000 0.990 27 K CB 1.249 33.803 32.500 0.090 0.000 1.304 27 K HN 0.285 8.680 8.250 0.241 0.000 0.505 28 K N 1.167 121.668 120.400 0.168 0.000 2.262 28 K HA -0.169 4.475 4.320 0.204 -0.202 0.288 28 K C 0.580 177.246 176.600 0.110 0.000 1.090 28 K CA 0.647 57.029 56.287 0.159 0.000 0.918 28 K CB -1.324 31.251 32.500 0.126 0.000 1.139 28 K HN 0.325 8.644 8.250 0.115 0.000 0.462 29 G N 5.870 114.729 108.800 0.099 0.000 3.033 29 G HA2 -0.221 3.766 3.960 0.044 0.000 0.208 29 G HA3 -0.221 3.775 3.960 0.059 0.000 0.208 29 G C -1.528 173.401 174.900 0.049 0.000 1.006 29 G CA -0.200 44.936 45.100 0.060 0.000 0.808 29 G HN 0.093 8.450 8.290 0.112 0.000 0.499 30 E N 2.097 122.341 120.200 0.074 0.000 2.384 30 E HA -0.088 4.291 4.350 0.047 0.000 0.266 30 E C -0.952 175.635 176.600 -0.021 0.000 1.012 30 E CA -0.052 56.379 56.400 0.052 0.000 0.901 30 E CB 1.229 31.005 29.700 0.127 0.000 0.967 30 E HN -0.647 7.788 8.360 0.124 0.000 0.435 31 R N 1.452 121.945 120.500 -0.011 0.000 2.668 31 R HA 0.543 4.980 4.340 -0.040 -0.120 0.279 31 R C -0.738 175.550 176.300 -0.020 0.000 0.976 31 R CA -0.901 55.188 56.100 -0.018 0.000 0.978 31 R CB 2.477 32.786 30.300 0.015 0.000 1.133 31 R HN 0.118 8.393 8.270 0.009 0.000 0.484 32 L N -0.394 120.824 121.223 -0.007 0.000 2.472 32 L HA 0.322 4.668 4.340 0.009 0.000 0.260 32 L C -1.335 175.557 176.870 0.036 0.000 0.963 32 L CA -0.193 54.648 54.840 0.001 0.000 0.829 32 L CB 3.882 45.912 42.059 -0.048 0.000 1.348 32 L HN -0.063 8.180 8.230 0.022 0.000 0.408 33 Q N 2.421 122.253 119.800 0.052 0.000 2.288 33 Q HA 0.131 4.482 4.340 0.018 0.000 0.258 33 Q C -0.663 175.286 176.000 -0.085 0.000 0.957 33 Q CA -0.576 55.236 55.803 0.014 0.000 0.919 33 Q CB 0.835 29.604 28.738 0.051 0.000 1.185 33 Q HN -0.135 8.190 8.270 0.092 0.000 0.408 34 I N 4.741 125.162 120.570 -0.247 0.000 2.588 34 I HA -0.307 3.690 4.170 -0.288 0.000 0.283 34 I C -0.166 175.814 176.117 -0.230 0.000 1.119 34 I CA 0.305 61.379 61.300 -0.376 0.000 1.419 34 I CB -1.043 36.459 38.000 -0.831 0.000 1.394 34 I HN 0.449 8.503 8.210 -0.260 0.000 0.562 35 V N 9.269 129.081 119.914 -0.169 0.000 2.521 35 V HA -0.046 4.005 4.120 -0.116 0.000 0.239 35 V C -0.436 175.574 176.094 -0.139 0.000 1.053 35 V CA 1.467 63.693 62.300 -0.123 0.000 1.073 35 V CB 1.060 32.834 31.823 -0.082 0.000 0.746 35 V HN 0.387 8.491 8.190 -0.144 0.000 0.476 36 N N -3.209 115.402 118.700 -0.148 0.000 3.622 36 N HA 0.081 4.705 4.740 -0.194 0.000 0.352 36 N C -2.376 172.989 175.510 -0.242 0.000 1.559 36 N CA -0.760 52.192 53.050 -0.164 0.000 0.801 36 N CB 1.688 40.129 38.487 -0.077 0.000 2.399 36 N HN -0.523 7.784 8.380 -0.122 0.000 0.545 37 N N -2.221 116.368 118.700 -0.185 0.000 2.422 37 N HA -0.213 4.477 4.740 -0.084 0.000 0.289 37 N C -1.354 173.771 175.510 -0.642 0.000 1.385 37 N CA 0.645 53.562 53.050 -0.221 0.000 0.639 37 N CB -0.100 38.413 38.487 0.044 0.000 0.914 37 N HN 0.201 8.511 8.380 -0.117 0.000 0.516 38 T N -1.548 112.766 114.554 -0.401 0.000 3.067 38 T HA -0.094 3.829 4.350 -0.711 0.000 0.257 38 T C -0.131 174.418 174.700 -0.253 0.000 1.105 38 T CA 1.615 63.447 62.100 -0.447 0.000 1.104 38 T CB 0.390 69.122 68.868 -0.226 0.000 0.925 38 T HN 0.068 8.177 8.240 -0.219 0.000 0.498 39 E N -1.858 118.326 120.200 -0.027 0.000 2.359 39 E HA 0.175 4.699 4.350 0.290 0.000 0.223 39 E C -0.349 176.458 176.600 0.345 0.000 0.877 39 E CA -1.288 55.231 56.400 0.198 0.000 0.887 39 E CB 2.053 31.812 29.700 0.099 0.000 1.890 39 E HN -0.641 7.656 8.360 -0.047 0.035 0.419 40 G N 0.204 109.140 108.800 0.227 0.000 2.554 40 G HA2 -0.308 3.730 3.960 0.129 0.000 0.253 40 G HA3 -0.308 3.790 3.960 0.230 0.000 0.253 40 G C -1.151 173.817 174.900 0.113 0.000 1.172 40 G CA 0.651 45.864 45.100 0.187 0.000 0.950 40 G HN 0.149 8.538 8.290 0.164 0.000 0.557 41 D N 2.533 122.967 120.400 0.057 0.000 2.825 41 D HA 0.180 4.568 4.640 -0.420 0.000 0.294 41 D C -1.626 174.294 176.300 -0.634 0.000 1.651 41 D CA 0.039 53.862 54.000 -0.294 0.000 0.847 41 D CB 1.364 42.047 40.800 -0.194 0.000 1.389 41 D HN 0.079 8.558 8.370 0.182 0.000 0.426 42 W N -1.024 120.158 121.300 -0.197 0.000 3.261 42 W HA 0.064 4.594 4.660 -0.322 -0.063 0.321 42 W C -1.880 174.734 176.519 0.158 0.000 1.076 42 W CA -0.037 57.219 57.345 -0.149 0.000 1.261 42 W CB 2.224 31.663 29.460 -0.035 0.000 1.166 42 W HN -0.608 7.640 8.180 0.113 0.000 0.395 43 W N 1.714 123.132 121.300 0.198 0.000 2.655 43 W HA 0.289 5.026 4.660 0.129 0.000 0.358 43 W C -2.113 174.507 176.519 0.168 0.000 1.100 43 W CA -3.078 54.340 57.345 0.121 0.000 1.195 43 W CB 2.180 31.622 29.460 -0.030 0.000 1.403 43 W HN 0.576 8.743 8.180 -0.128 -0.064 0.589 44 L N -0.293 121.099 121.223 0.282 0.000 2.305 44 L HA 0.255 4.608 4.340 0.021 0.000 0.284 44 L C -2.318 174.538 176.870 -0.023 0.000 1.013 44 L CA -1.409 53.438 54.840 0.012 0.000 0.819 44 L CB 2.441 44.357 42.059 -0.239 0.000 1.227 44 L HN 0.257 8.630 8.230 0.239 0.000 0.417 45 A N 6.070 128.885 122.820 -0.010 0.000 2.384 45 A HA 0.820 5.273 4.320 -0.028 -0.150 0.312 45 A C -2.471 175.128 177.584 0.025 0.000 1.113 45 A CA -2.296 49.740 52.037 -0.003 0.000 0.779 45 A CB 3.582 22.586 19.000 0.006 0.000 1.307 45 A HN 0.114 8.273 8.150 0.015 0.000 0.436 46 H N 1.235 120.275 119.070 -0.050 0.000 2.551 46 H HA 0.565 5.229 4.556 -0.029 -0.125 0.321 46 H C 0.341 175.666 175.328 -0.005 0.000 1.028 46 H CA -2.061 53.968 56.048 -0.031 0.000 1.215 46 H CB 1.795 31.533 29.762 -0.040 0.000 1.414 46 H HN 0.157 8.507 8.280 0.118 0.000 0.480 47 S N 6.835 122.288 115.700 -0.411 0.000 2.566 47 S HA -0.085 4.315 4.470 -0.117 0.000 0.280 47 S C -0.285 174.066 174.600 -0.415 0.000 1.343 47 S CA 1.958 59.986 58.200 -0.287 0.000 1.036 47 S CB 0.784 63.880 63.200 -0.174 0.000 0.866 47 S HN -0.049 8.065 8.310 -0.327 0.000 0.526 48 L N 0.699 121.860 121.223 -0.103 0.000 2.741 48 L HA 0.264 4.681 4.340 0.130 0.000 0.237 48 L C 0.423 177.297 176.870 0.006 0.000 1.178 48 L CA 0.591 55.446 54.840 0.024 0.000 0.973 48 L CB -0.158 41.945 42.059 0.073 0.000 1.255 48 L HN 0.838 9.037 8.230 -0.052 0.000 0.498 49 T N -1.548 112.982 114.554 -0.041 0.000 3.395 49 T HA 0.006 4.360 4.350 0.007 0.000 0.230 49 T C 1.278 175.971 174.700 -0.012 0.000 0.958 49 T CA 0.965 63.058 62.100 -0.012 0.000 1.377 49 T CB -0.627 68.236 68.868 -0.009 0.000 1.124 49 T HN -0.470 7.628 8.240 -0.096 0.084 0.425 50 T N -2.407 112.130 114.554 -0.029 0.000 3.088 50 T HA 0.148 4.501 4.350 0.004 0.000 0.259 50 T C 0.067 174.761 174.700 -0.010 0.000 1.122 50 T CA 0.708 62.800 62.100 -0.012 0.000 1.095 50 T CB 0.180 69.041 68.868 -0.010 0.000 0.930 50 T HN 0.077 8.291 8.240 -0.044 0.000 0.508 51 G N 1.390 110.149 108.800 -0.068 0.000 2.289 51 G HA2 -0.312 3.719 3.960 -0.113 0.000 0.280 51 G HA3 -0.312 3.744 3.960 0.161 0.000 0.280 51 G C -1.326 173.579 174.900 0.009 0.000 1.089 51 G CA 0.019 45.132 45.100 0.020 0.000 0.939 51 G HN -0.116 8.042 8.290 -0.133 0.053 0.499 52 Q N -2.045 117.665 119.800 -0.149 0.000 2.712 52 Q HA 0.300 4.662 4.340 0.037 0.000 0.267 52 Q C -1.094 174.876 176.000 -0.049 0.000 1.062 52 Q CA -1.731 54.051 55.803 -0.034 0.000 0.888 52 Q CB 3.002 31.730 28.738 -0.017 0.000 1.374 52 Q HN -0.091 8.012 8.270 -0.278 0.000 0.498 53 T N 0.184 114.743 114.554 0.008 0.000 2.918 53 T HA 0.060 4.404 4.350 -0.011 0.000 0.283 53 T C -0.011 174.691 174.700 0.002 0.000 1.001 53 T CA -0.497 61.594 62.100 -0.015 0.000 1.041 53 T CB 0.684 69.530 68.868 -0.036 0.000 1.028 53 T HN 0.061 8.317 8.240 0.027 0.000 0.511 54 G N 1.033 109.822 108.800 -0.019 0.000 2.965 54 G HA2 0.275 4.421 3.960 0.200 0.000 0.301 54 G HA3 0.275 4.336 3.960 0.168 0.000 0.301 54 G C -1.782 173.228 174.900 0.183 0.000 1.878 54 G CA 0.456 45.638 45.100 0.137 0.000 0.828 54 G HN -0.145 8.080 8.290 -0.109 0.000 0.435 55 Y N 3.970 124.423 120.300 0.255 0.000 2.854 55 Y HA -0.286 4.499 4.550 0.254 -0.083 0.372 55 Y C 0.163 176.314 175.900 0.417 0.000 1.330 55 Y CA 1.696 59.971 58.100 0.292 0.000 1.765 55 Y CB -0.899 37.690 38.460 0.215 0.000 1.277 55 Y HN 0.109 8.622 8.280 0.389 0.000 0.498 56 I N -0.755 120.065 120.570 0.417 0.000 2.342 56 I HA 0.415 4.847 4.170 0.436 0.000 0.291 56 I C -1.893 174.202 176.117 -0.037 0.000 1.010 56 I CA -3.936 57.551 61.300 0.312 0.000 1.308 56 I CB 0.758 38.899 38.000 0.235 0.000 1.400 56 I HN -0.338 8.056 8.210 0.305 0.000 0.488 57 P HA 0.102 3.277 4.420 -2.075 0.000 0.264 57 P C -0.070 176.494 177.300 -1.227 0.000 1.193 57 P CA -0.300 61.880 63.100 -1.533 0.000 0.763 57 P CB 0.233 30.763 31.700 -1.950 0.000 0.810 58 S N 1.293 116.075 115.700 -1.530 0.000 2.407 58 S HA -0.432 1.950 4.470 -3.479 0.000 0.235 58 S C 0.419 174.241 174.600 -1.296 0.000 1.036 58 S CA 2.544 59.464 58.200 -2.134 0.000 1.013 58 S CB 0.261 62.479 63.200 -1.637 0.000 0.820 58 S HN -0.173 7.222 8.310 -1.475 0.031 0.476 59 N N 0.313 118.373 118.700 -1.067 0.000 2.456 59 N HA -0.021 4.379 4.740 -0.568 0.000 0.288 59 N C -1.171 173.872 175.510 -0.779 0.000 1.059 59 N CA 0.789 53.354 53.050 -0.808 0.000 0.946 59 N CB 1.268 39.273 38.487 -0.803 0.000 1.150 59 N HN -0.203 7.404 8.380 -1.246 0.025 0.479 60 Y N -3.644 116.423 120.300 -0.388 0.000 4.761 60 Y HA -0.217 3.950 4.550 -0.637 0.000 0.300 60 Y C -2.077 173.659 175.900 -0.273 0.000 0.797 60 Y CA 0.006 57.920 58.100 -0.309 0.000 1.549 60 Y CB -1.228 37.277 38.460 0.075 0.000 0.880 60 Y HN 0.448 8.517 8.280 -0.352 0.000 0.446 61 V N -0.594 119.215 119.914 -0.174 0.000 3.160 61 V HA 0.655 4.916 4.120 -0.143 -0.227 0.310 61 V C -2.361 173.670 176.094 -0.105 0.000 1.181 61 V CA -3.404 58.825 62.300 -0.119 0.000 1.047 61 V CB 4.180 35.990 31.823 -0.022 0.000 1.068 61 V HN -0.819 7.157 8.190 -0.259 0.058 0.441 62 A N 1.226 123.975 122.820 -0.118 0.000 2.555 62 A HA 0.521 4.753 4.320 -0.147 0.000 0.297 62 A C -3.172 174.074 177.584 -0.562 0.000 1.060 62 A CA -1.590 50.308 52.037 -0.232 0.000 0.710 62 A CB 1.801 20.697 19.000 -0.173 0.000 1.282 62 A HN 0.365 8.449 8.150 -0.111 0.000 0.399 63 P HA 0.112 3.434 4.420 -1.831 0.000 0.266 63 P C -1.474 175.541 177.300 -0.476 0.000 1.215 63 P CA 0.196 62.601 63.100 -1.157 0.000 0.763 63 P CB -0.229 30.953 31.700 -0.864 0.000 0.806 64 S N 0.000 115.497 115.700 -0.338 0.000 0.000 64 S HA 0.000 4.384 4.470 -0.143 0.000 0.000 64 S CA 0.000 58.100 58.200 -0.166 0.000 0.000 64 S CB 0.000 63.120 63.200 -0.133 0.000 0.000 64 S HN 0.000 8.090 8.310 -0.366 0.000 0.000