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 1d66_1_A DATA FIRST_RESID 8 DATA SEQUENCE EQACDICRLK KLKCSKEKPK CAKCLKNNWE CRYSPKTKRS PLTRAHLTEV DATA SEQUENCE ESRLERL 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.633 176.600 0.056 0.000 1.382 8 E CA 0.000 56.419 56.400 0.032 0.000 0.976 8 E CB 0.000 29.713 29.700 0.022 0.000 0.812 9 Q N 1.944 121.787 119.800 0.072 0.000 2.348 9 Q HA 0.415 4.755 4.340 0.000 0.000 0.251 9 Q C -0.238 175.879 176.000 0.194 0.000 1.113 9 Q CA 0.027 55.897 55.803 0.111 0.000 0.902 9 Q CB 0.804 29.609 28.738 0.112 0.000 1.333 9 Q HN 0.207 nan 8.270 nan 0.000 0.457 10 A N 2.640 125.541 122.820 0.135 0.000 2.448 10 A HA 0.125 4.445 4.320 0.000 0.000 0.239 10 A C 0.648 178.272 177.584 0.066 0.000 1.080 10 A CA -0.304 51.806 52.037 0.121 0.000 0.779 10 A CB 0.012 19.046 19.000 0.057 0.000 1.026 10 A HN 0.953 nan 8.150 nan 0.000 0.499 11 C N 0.719 119.938 119.300 -0.134 0.000 2.649 11 C HA 0.368 4.828 4.460 0.000 0.000 0.377 11 C C 1.212 176.097 174.990 -0.175 0.000 1.321 11 C CA -0.060 58.712 59.018 -0.410 0.000 2.368 11 C CB -0.395 26.902 27.740 -0.737 0.000 2.597 11 C HN 0.872 nan 8.230 nan 0.000 0.678 12 D N 0.310 120.614 120.400 -0.161 0.000 2.149 12 D HA -0.157 4.483 4.640 0.000 0.000 0.194 12 D C 1.817 178.072 176.300 -0.075 0.000 1.001 12 D CA 1.681 55.629 54.000 -0.087 0.000 0.849 12 D CB -0.141 40.613 40.800 -0.077 0.000 0.939 12 D HN 0.658 nan 8.370 nan 0.000 0.449 13 I N 0.008 120.531 120.570 -0.077 0.000 2.233 13 I HA -0.222 3.948 4.170 0.000 0.000 0.243 13 I C 1.859 177.968 176.117 -0.013 0.000 1.093 13 I CA 0.747 62.012 61.300 -0.059 0.000 1.380 13 I CB -0.116 37.874 38.000 -0.017 0.000 1.067 13 I HN 0.145 nan 8.210 nan 0.000 0.413 14 C N 0.392 119.699 119.300 0.011 0.000 2.435 14 C HA -0.096 4.364 4.460 0.000 0.000 0.279 14 C C 2.794 177.788 174.990 0.007 0.000 1.321 14 C CA 0.376 59.412 59.018 0.030 0.000 1.752 14 C CB -1.237 26.521 27.740 0.030 0.000 1.959 14 C HN 0.413 nan 8.230 nan 0.000 0.500 15 R N 0.287 120.780 120.500 -0.011 0.000 2.080 15 R HA -0.159 4.181 4.340 0.000 0.000 0.236 15 R C 2.134 178.425 176.300 -0.015 0.000 1.137 15 R CA 1.409 57.504 56.100 -0.010 0.000 0.943 15 R CB -0.778 29.514 30.300 -0.014 0.000 0.846 15 R HN 0.410 nan 8.270 nan 0.000 0.431 16 L N 1.637 122.842 121.223 -0.030 0.000 2.081 16 L HA -0.204 4.136 4.340 0.000 0.000 0.212 16 L C 1.534 178.386 176.870 -0.031 0.000 1.080 16 L CA 1.911 56.727 54.840 -0.040 0.000 0.754 16 L CB -0.116 41.901 42.059 -0.070 0.000 0.893 16 L HN 0.022 nan 8.230 nan 0.000 0.433 17 K N -0.700 119.688 120.400 -0.020 0.000 2.393 17 K HA 0.072 4.392 4.320 0.000 0.000 0.193 17 K C 0.077 176.682 176.600 0.008 0.000 1.026 17 K CA -0.020 56.265 56.287 -0.004 0.000 1.064 17 K CB 0.206 32.715 32.500 0.016 0.000 0.833 17 K HN 0.131 nan 8.250 nan 0.000 0.521 18 K N 1.121 121.525 120.400 0.007 0.000 3.150 18 K HA -0.193 4.127 4.320 0.000 0.000 0.267 18 K C -0.663 175.948 176.600 0.017 0.000 1.028 18 K CA 0.411 56.705 56.287 0.010 0.000 0.753 18 K CB -1.674 30.830 32.500 0.007 0.000 1.288 18 K HN 0.196 nan 8.250 nan 0.000 0.473 19 L N -0.212 121.025 121.223 0.024 0.000 2.260 19 L HA 0.424 4.764 4.340 0.000 0.000 0.265 19 L C 0.433 177.320 176.870 0.029 0.000 1.015 19 L CA -1.144 53.714 54.840 0.030 0.000 0.826 19 L CB 1.258 43.343 42.059 0.044 0.000 1.373 19 L HN 0.014 nan 8.230 nan 0.000 0.450 20 K N 0.878 121.295 120.400 0.028 0.000 2.285 20 K HA 0.203 4.523 4.320 0.000 0.000 0.286 20 K C -0.910 175.711 176.600 0.034 0.000 1.072 20 K CA -0.367 55.937 56.287 0.028 0.000 0.913 20 K CB 0.894 33.408 32.500 0.023 0.000 1.067 20 K HN 0.540 nan 8.250 nan 0.000 0.479 21 C N 3.585 122.910 119.300 0.041 0.000 2.536 21 C HA 0.117 4.577 4.460 0.000 0.000 0.396 21 C C 2.020 177.046 174.990 0.059 0.000 1.279 21 C CA -0.172 58.877 59.018 0.051 0.000 2.148 21 C CB 0.236 28.015 27.740 0.064 0.000 2.584 21 C HN 1.022 nan 8.230 nan 0.000 0.579 22 S N 2.409 118.145 115.700 0.061 0.000 2.414 22 S HA -0.006 4.464 4.470 0.000 0.000 0.227 22 S C 0.851 175.502 174.600 0.085 0.000 1.022 22 S CA 1.080 59.315 58.200 0.058 0.000 0.958 22 S CB -0.304 62.923 63.200 0.044 0.000 0.797 22 S HN 0.933 nan 8.310 nan 0.000 0.493 23 K N 0.700 121.190 120.400 0.151 0.000 3.470 23 K HA -0.129 4.191 4.320 0.000 0.000 0.305 23 K C -0.611 176.097 176.600 0.180 0.000 1.363 23 K CA 1.111 57.541 56.287 0.238 0.000 0.927 23 K CB -1.727 30.852 32.500 0.131 0.000 1.355 23 K HN 0.880 nan 8.250 nan 0.000 0.466 24 E N 2.070 122.369 120.200 0.164 0.000 2.129 24 E HA 0.197 4.547 4.350 0.000 0.000 0.283 24 E C -0.964 175.718 176.600 0.137 0.000 1.080 24 E CA -0.614 55.839 56.400 0.089 0.000 0.867 24 E CB 0.514 30.249 29.700 0.059 0.000 1.056 24 E HN 0.062 nan 8.360 nan 0.000 0.404 25 K N 4.775 125.156 120.400 -0.032 0.000 2.312 25 K HA 0.152 4.472 4.320 0.000 0.000 0.287 25 K C -1.305 175.303 176.600 0.014 0.000 1.062 25 K CA -1.088 55.171 56.287 -0.047 0.000 0.934 25 K CB 0.588 32.904 32.500 -0.307 0.000 1.027 25 K HN 0.473 nan 8.250 nan 0.000 0.478 26 P HA -0.032 nan 4.420 nan 0.000 0.216 26 P C -0.595 176.820 177.300 0.192 0.000 1.154 26 P CA 0.724 63.891 63.100 0.111 0.000 0.857 26 P CB 0.564 32.304 31.700 0.067 0.000 0.787 27 K N 0.141 120.624 120.400 0.139 0.000 2.397 27 K HA 0.356 4.676 4.320 0.000 0.000 0.253 27 K C 0.096 176.763 176.600 0.112 0.000 0.932 27 K CA -0.757 55.601 56.287 0.117 0.000 0.795 27 K CB 2.099 34.633 32.500 0.057 0.000 1.159 27 K HN 0.229 nan 8.250 nan 0.000 0.424 28 C N 0.316 119.685 119.300 0.115 0.000 2.705 28 C HA 0.382 4.842 4.460 0.000 0.000 0.382 28 C C 2.139 177.140 174.990 0.018 0.000 1.322 28 C CA -0.100 58.975 59.018 0.094 0.000 2.290 28 C CB 0.101 27.886 27.740 0.075 0.000 2.650 28 C HN 1.008 nan 8.230 nan 0.000 0.695 29 A N 1.668 124.493 122.820 0.007 0.000 1.870 29 A HA -0.244 4.076 4.320 0.000 0.000 0.219 29 A C 2.252 179.783 177.584 -0.088 0.000 1.224 29 A CA 2.623 54.641 52.037 -0.032 0.000 0.650 29 A CB -1.014 17.973 19.000 -0.022 0.000 0.836 29 A HN 0.977 nan 8.150 nan 0.000 0.454 30 K N -1.341 118.997 120.400 -0.103 0.000 2.057 30 K HA -0.144 4.176 4.320 0.000 0.000 0.207 30 K C 2.169 178.535 176.600 -0.391 0.000 1.049 30 K CA 1.461 57.611 56.287 -0.229 0.000 0.931 30 K CB -0.431 31.967 32.500 -0.169 0.000 0.714 30 K HN 0.618 nan 8.250 nan 0.000 0.440 31 C N 0.389 119.564 119.300 -0.208 0.000 2.462 31 C HA -0.077 4.383 4.460 0.000 0.000 0.278 31 C C 2.488 177.366 174.990 -0.186 0.000 1.253 31 C CA 0.192 59.114 59.018 -0.159 0.000 1.713 31 C CB -0.723 27.057 27.740 0.067 0.000 2.049 31 C HN 0.492 nan 8.230 nan 0.000 0.477 32 L N 1.652 122.811 121.223 -0.107 0.000 1.991 32 L HA -0.272 4.068 4.340 0.000 0.000 0.221 32 L C 2.391 179.185 176.870 -0.126 0.000 1.079 32 L CA 2.133 56.924 54.840 -0.082 0.000 0.778 32 L CB -0.571 41.458 42.059 -0.050 0.000 0.893 32 L HN 0.305 nan 8.230 nan 0.000 0.437 33 K N -0.966 119.333 120.400 -0.169 0.000 2.148 33 K HA -0.095 4.225 4.320 0.000 0.000 0.204 33 K C 1.418 177.866 176.600 -0.253 0.000 1.050 33 K CA 1.564 57.745 56.287 -0.178 0.000 0.942 33 K CB -0.199 32.202 32.500 -0.165 0.000 0.724 33 K HN 0.377 nan 8.250 nan 0.000 0.446 34 N N 0.544 118.979 118.700 -0.442 0.000 2.280 34 N HA -0.019 4.721 4.740 0.000 0.000 0.192 34 N C -0.612 174.649 175.510 -0.416 0.000 1.109 34 N CA -0.031 52.650 53.050 -0.616 0.000 0.855 34 N CB 0.248 37.833 38.487 -1.503 0.000 0.974 34 N HN 0.056 nan 8.380 nan 0.000 0.482 35 N N 0.576 119.149 118.700 -0.212 0.000 2.699 35 N HA -0.186 4.554 4.740 0.000 0.000 0.256 35 N C -1.464 174.133 175.510 0.145 0.000 0.993 35 N CA 0.420 53.454 53.050 -0.028 0.000 0.759 35 N CB -0.686 37.805 38.487 0.007 0.000 0.906 35 N HN 0.237 nan 8.380 nan 0.000 0.541 36 W N 0.490 121.783 121.300 -0.012 0.000 2.578 36 W HA 0.386 5.046 4.660 0.000 0.000 0.346 36 W C 0.850 177.357 176.519 -0.020 0.000 1.075 36 W CA -1.199 56.135 57.345 -0.018 0.000 1.233 36 W CB 0.215 29.658 29.460 -0.027 0.000 1.358 36 W HN 0.193 nan 8.180 nan 0.000 0.574 37 E N 1.256 121.582 120.200 0.210 0.000 2.406 37 E HA 0.084 4.434 4.350 0.000 0.000 0.258 37 E C -0.686 175.960 176.600 0.078 0.000 1.043 37 E CA 0.195 56.658 56.400 0.104 0.000 0.929 37 E CB 0.447 30.178 29.700 0.053 0.000 0.969 37 E HN 0.385 nan 8.360 nan 0.000 0.462 38 C N 6.743 126.079 119.300 0.060 0.000 2.225 38 C HA 0.406 4.866 4.460 0.000 0.000 0.328 38 C C -0.078 174.915 174.990 0.004 0.000 1.187 38 C CA -0.516 58.499 59.018 -0.006 0.000 1.665 38 C CB -0.663 27.095 27.740 0.030 0.000 2.253 38 C HN 0.797 nan 8.230 nan 0.000 0.497 39 R N 4.573 125.037 120.500 -0.059 0.000 2.437 39 R HA 0.476 4.816 4.340 0.000 0.000 0.310 39 R C -1.833 174.424 176.300 -0.073 0.000 0.955 39 R CA -0.394 55.708 56.100 0.002 0.000 0.851 39 R CB 0.748 31.049 30.300 0.001 0.000 1.161 39 R HN 0.730 nan 8.270 nan 0.000 0.446 40 Y N 2.114 122.427 120.300 0.022 0.000 2.478 40 Y HA 0.306 4.856 4.550 -0.000 0.000 0.329 40 Y C 0.126 176.034 175.900 0.013 0.000 0.967 40 Y CA -0.399 57.713 58.100 0.019 0.000 1.255 40 Y CB 1.817 40.288 38.460 0.018 0.000 1.103 40 Y HN 0.493 nan 8.280 nan 0.000 0.497 41 S N 5.393 121.153 115.700 0.100 0.000 2.617 41 S HA 0.376 4.846 4.470 0.000 0.000 0.269 41 S C -2.113 172.525 174.600 0.063 0.000 1.292 41 S CA -1.132 57.107 58.200 0.065 0.000 1.010 41 S CB 0.443 63.661 63.200 0.030 0.000 0.944 41 S HN 0.433 nan 8.310 nan 0.000 0.536 42 P HA 0.129 nan 4.420 nan 0.000 0.269 42 P C -1.109 176.208 177.300 0.028 0.000 1.215 42 P CA -0.302 62.819 63.100 0.035 0.000 0.780 42 P CB 0.398 32.113 31.700 0.025 0.000 0.898 43 K N 0.817 121.232 120.400 0.026 0.000 2.378 43 K HA 0.189 4.509 4.320 0.000 0.000 0.288 43 K C 0.538 177.146 176.600 0.013 0.000 1.057 43 K CA 0.202 56.501 56.287 0.020 0.000 0.971 43 K CB -0.006 32.505 32.500 0.019 0.000 0.975 43 K HN 0.339 nan 8.250 nan 0.000 0.475 44 T N 3.836 118.396 114.554 0.010 0.000 2.744 44 T HA 0.121 4.471 4.350 0.000 0.000 0.291 44 T C -0.508 174.195 174.700 0.005 0.000 0.957 44 T CA -0.975 61.130 62.100 0.007 0.000 1.002 44 T CB 0.291 69.162 68.868 0.006 0.000 0.919 44 T HN 0.498 nan 8.240 nan 0.000 0.468 45 K N 4.744 125.145 120.400 0.002 0.000 2.569 45 K HA 0.107 4.427 4.320 0.000 0.000 0.280 45 K C 0.202 176.801 176.600 -0.002 0.000 0.984 45 K CA 0.019 56.305 56.287 -0.002 0.000 1.064 45 K CB 0.494 32.990 32.500 -0.006 0.000 0.866 45 K HN 0.354 nan 8.250 nan 0.000 0.492 46 R N 1.080 121.578 120.500 -0.003 0.000 3.006 46 R HA 0.282 4.622 4.340 0.000 0.000 0.235 46 R C -0.293 175.999 176.300 -0.014 0.000 1.362 46 R CA -0.818 55.281 56.100 -0.001 0.000 1.067 46 R CB 1.526 31.831 30.300 0.008 0.000 1.396 46 R HN 0.951 nan 8.270 nan 0.000 0.504 47 S N 1.704 117.399 115.700 -0.008 0.000 2.565 47 S HA 0.327 4.797 4.470 0.000 0.000 0.276 47 S C -1.940 172.640 174.600 -0.033 0.000 1.326 47 S CA -1.049 57.122 58.200 -0.048 0.000 1.045 47 S CB 0.466 63.673 63.200 0.011 0.000 0.918 47 S HN 0.349 nan 8.310 nan 0.000 0.505 48 P HA 0.097 nan 4.420 nan 0.000 0.263 48 P C -0.809 176.528 177.300 0.061 0.000 1.195 48 P CA -0.394 62.693 63.100 -0.022 0.000 0.762 48 P CB 0.347 32.016 31.700 -0.051 0.000 0.799 49 L N 3.890 125.148 121.223 0.059 0.000 2.352 49 L HA 0.397 4.737 4.340 0.000 0.000 0.272 49 L C -0.387 176.518 176.870 0.059 0.000 1.109 49 L CA 0.422 55.306 54.840 0.074 0.000 0.952 49 L CB -0.099 41.988 42.059 0.046 0.000 1.314 49 L HN 0.298 nan 8.230 nan 0.000 0.427 50 T N 1.893 116.497 114.554 0.083 0.000 2.900 50 T HA 0.298 4.648 4.350 0.000 0.000 0.295 50 T C 0.808 175.544 174.700 0.059 0.000 1.044 50 T CA -0.555 61.582 62.100 0.062 0.000 0.995 50 T CB 2.050 70.956 68.868 0.064 0.000 1.072 50 T HN 0.553 nan 8.240 nan 0.000 0.473 51 R N 2.779 123.300 120.500 0.035 0.000 2.105 51 R HA 0.026 4.366 4.340 0.000 0.000 0.239 51 R C 2.183 178.498 176.300 0.025 0.000 1.135 51 R CA 2.382 58.495 56.100 0.022 0.000 0.967 51 R CB -1.016 29.293 30.300 0.014 0.000 0.861 51 R HN 0.683 nan 8.270 nan 0.000 0.442 52 A N -0.165 122.679 122.820 0.040 0.000 1.873 52 A HA -0.245 4.075 4.320 0.000 0.000 0.218 52 A C 2.287 179.910 177.584 0.065 0.000 1.193 52 A CA 1.907 53.972 52.037 0.047 0.000 0.629 52 A CB -1.085 17.949 19.000 0.056 0.000 0.826 52 A HN 0.671 nan 8.150 nan 0.000 0.447 53 H N -1.096 117.974 119.070 0.001 0.000 2.524 53 H HA 0.110 4.666 4.556 0.000 0.000 0.282 53 H C 1.871 177.200 175.328 0.000 0.000 1.016 53 H CA 0.895 56.943 56.048 0.001 0.000 1.270 53 H CB 0.051 29.814 29.762 0.001 0.000 1.394 53 H HN 0.430 nan 8.280 nan 0.000 0.568 54 L N 0.461 121.629 121.223 -0.092 0.000 2.084 54 L HA -0.101 4.239 4.340 0.000 0.000 0.202 54 L C 2.559 179.361 176.870 -0.114 0.000 1.074 54 L CA 1.638 56.398 54.840 -0.135 0.000 0.757 54 L CB -0.417 41.608 42.059 -0.056 0.000 0.918 54 L HN 0.360 nan 8.230 nan 0.000 0.444 55 T N -3.439 111.080 114.554 -0.060 0.000 2.995 55 T HA -0.151 4.199 4.350 0.000 0.000 0.269 55 T C 1.646 176.318 174.700 -0.047 0.000 1.091 55 T CA 0.568 62.641 62.100 -0.044 0.000 1.128 55 T CB -0.144 68.711 68.868 -0.022 0.000 0.891 55 T HN 0.251 nan 8.240 nan 0.000 0.492 56 E N 1.569 121.738 120.200 -0.052 0.000 2.000 56 E HA -0.121 4.229 4.350 0.000 0.000 0.199 56 E C 2.233 178.795 176.600 -0.063 0.000 1.011 56 E CA 1.327 57.705 56.400 -0.035 0.000 0.836 56 E CB -0.874 28.828 29.700 0.004 0.000 0.778 56 E HN 0.329 nan 8.360 nan 0.000 0.462 57 V N 2.043 121.875 119.914 -0.137 0.000 2.759 57 V HA -0.181 3.939 4.120 0.000 0.000 0.256 57 V C 2.177 178.212 176.094 -0.099 0.000 1.080 57 V CA 2.326 64.545 62.300 -0.135 0.000 1.101 57 V CB -0.600 31.058 31.823 -0.274 0.000 0.698 57 V HN 0.464 nan 8.190 nan 0.000 0.477 58 E N -1.565 118.580 120.200 -0.092 0.000 2.442 58 E HA -0.043 4.307 4.350 0.000 0.000 0.195 58 E C 1.824 178.401 176.600 -0.040 0.000 1.030 58 E CA 1.018 57.382 56.400 -0.060 0.000 0.869 58 E CB 0.032 29.700 29.700 -0.054 0.000 0.857 58 E HN 0.537 nan 8.360 nan 0.000 0.505 59 S N 0.569 116.247 115.700 -0.037 0.000 2.497 59 S HA 0.079 4.549 4.470 0.000 0.000 0.218 59 S C 1.683 176.272 174.600 -0.019 0.000 1.023 59 S CA 0.180 58.366 58.200 -0.024 0.000 0.913 59 S CB 0.192 63.380 63.200 -0.020 0.000 0.800 59 S HN 0.170 nan 8.310 nan 0.000 0.505 60 R N 1.731 122.218 120.500 -0.021 0.000 2.073 60 R HA -0.023 4.317 4.340 0.000 0.000 0.234 60 R C 2.147 178.440 176.300 -0.012 0.000 1.134 60 R CA 1.225 57.317 56.100 -0.013 0.000 0.952 60 R CB -0.697 29.596 30.300 -0.010 0.000 0.850 60 R HN 0.339 nan 8.270 nan 0.000 0.433 61 L N 0.928 122.140 121.223 -0.018 0.000 1.955 61 L HA -0.088 4.252 4.340 0.000 0.000 0.213 61 L C 0.365 177.227 176.870 -0.013 0.000 1.072 61 L CA 1.858 56.689 54.840 -0.015 0.000 0.755 61 L CB -0.690 41.356 42.059 -0.021 0.000 0.888 61 L HN 0.203 nan 8.230 nan 0.000 0.432 62 E N -0.316 119.875 120.200 -0.015 0.000 1.941 62 E HA 0.267 4.617 4.350 0.000 0.000 0.275 62 E C 0.295 176.889 176.600 -0.010 0.000 1.113 62 E CA 0.170 56.563 56.400 -0.012 0.000 0.878 62 E CB 0.438 30.130 29.700 -0.013 0.000 1.070 62 E HN 0.336 nan 8.360 nan 0.000 0.399 63 R N 2.202 122.698 120.500 -0.008 0.000 1.667 63 R HA 0.219 4.559 4.340 0.000 0.000 0.031 63 R C -0.695 175.602 176.300 -0.004 0.000 0.819 63 R CA 0.135 56.231 56.100 -0.006 0.000 3.436 63 R CB -0.126 30.171 30.300 -0.006 0.000 0.822 63 R HN 0.448 nan 8.270 nan 0.000 0.571 64 L N 0.000 121.220 121.223 -0.005 0.000 2.949 64 L HA 0.000 4.340 4.340 0.000 0.000 0.249 64 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 64 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 64 L HN 0.000 nan 8.230 nan 0.000 0.502