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 3hsh_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSSGVRLWAT RQAMLGQVHE VPEGWLIFVA EQEELYVRVQ NGFRKVQLEA DATA SEQUENCE RTPLPR 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.887 174.900 -0.022 0.000 0.946 -1 G CA 0.000 45.103 45.100 0.005 0.000 0.502 0 S N -0.198 115.484 115.700 -0.029 0.000 2.568 0 S HA 0.886 5.356 4.470 -0.000 0.000 0.293 0 S C 0.681 175.175 174.600 -0.176 0.000 1.089 0 S CA 0.389 58.530 58.200 -0.098 0.000 0.945 0 S CB 1.799 64.950 63.200 -0.083 0.000 1.077 0 S HN 1.650 nan 8.310 nan 0.000 0.485 1 S N 2.842 118.287 115.700 -0.426 0.000 4.341 1 S HA 1.021 5.491 4.470 -0.000 0.000 0.223 1 S C 0.572 174.302 174.600 -1.449 0.000 1.085 1 S CA 0.011 57.566 58.200 -1.074 0.000 1.732 1 S CB 0.534 63.059 63.200 -1.125 0.000 0.999 1 S HN 1.519 nan 8.310 nan 0.000 0.742 2 G N -0.715 107.066 108.800 -1.699 0.000 2.360 2 G HA2 0.449 4.409 3.960 -0.000 0.000 0.276 2 G HA3 0.449 4.409 3.960 -0.000 0.000 0.276 2 G C -2.149 172.535 174.900 -0.360 0.000 1.256 2 G CA -0.026 44.485 45.100 -0.981 0.000 0.890 2 G HN 1.258 nan 8.290 nan 0.000 0.486 3 V N 1.232 121.180 119.914 0.058 0.000 2.577 3 V HA 0.710 4.830 4.120 -0.000 0.000 0.303 3 V C -0.558 175.717 176.094 0.302 0.000 1.042 3 V CA -1.000 61.430 62.300 0.216 0.000 0.872 3 V CB 1.674 33.550 31.823 0.088 0.000 0.998 3 V HN 0.706 nan 8.190 nan 0.000 0.423 4 R N 4.627 125.315 120.500 0.314 0.000 2.664 4 R HA 0.759 5.099 4.340 -0.000 0.000 0.286 4 R C -1.164 175.110 176.300 -0.042 0.000 0.967 4 R CA -0.690 55.413 56.100 0.005 0.000 0.933 4 R CB 2.343 32.575 30.300 -0.113 0.000 1.146 4 R HN 0.605 nan 8.270 nan 0.000 0.468 5 L N -1.321 119.713 121.223 -0.315 0.000 2.371 5 L HA 0.690 5.030 4.340 -0.000 0.000 0.262 5 L C -1.033 175.643 176.870 -0.322 0.000 1.006 5 L CA -1.145 53.676 54.840 -0.032 0.000 0.818 5 L CB 1.479 43.680 42.059 0.238 0.000 1.354 5 L HN 0.599 nan 8.230 nan 0.000 0.415 6 W N -0.041 121.301 121.300 0.070 0.000 2.962 6 W HA 0.630 5.292 4.660 0.003 0.000 0.341 6 W C 0.664 177.186 176.519 0.005 0.000 1.155 6 W CA -0.402 56.953 57.345 0.016 0.000 1.165 6 W CB 2.641 32.082 29.460 -0.030 0.000 1.435 6 W HN 0.796 nan 8.180 nan 0.000 0.546 7 A N 0.912 123.865 122.820 0.223 0.000 1.898 7 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 7 A C 0.901 178.534 177.584 0.082 0.000 1.181 7 A CA 2.244 54.356 52.037 0.124 0.000 0.620 7 A CB -0.597 18.459 19.000 0.093 0.000 0.819 7 A HN 0.503 nan 8.150 nan 0.000 0.442 8 T N -5.435 109.174 114.554 0.090 0.000 2.883 8 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 8 T C 0.464 175.146 174.700 -0.031 0.000 1.117 8 T CA -0.244 61.867 62.100 0.019 0.000 1.006 8 T CB 1.790 70.666 68.868 0.014 0.000 1.191 8 T HN 0.227 nan 8.240 nan 0.000 0.508 9 R N 0.016 120.479 120.500 -0.062 0.000 2.081 9 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 9 R C 2.090 178.291 176.300 -0.166 0.000 1.131 9 R CA 1.300 57.325 56.100 -0.124 0.000 0.960 9 R CB -0.250 30.007 30.300 -0.072 0.000 0.856 9 R HN 0.639 nan 8.270 nan 0.000 0.436 10 Q N 0.152 119.891 119.800 -0.101 0.000 2.096 10 Q HA -0.156 4.183 4.340 -0.000 0.000 0.204 10 Q C 2.074 177.995 176.000 -0.132 0.000 0.982 10 Q CA 1.820 57.564 55.803 -0.098 0.000 0.850 10 Q CB -0.360 28.348 28.738 -0.050 0.000 0.901 10 Q HN 0.456 nan 8.270 nan 0.000 0.422 11 A N 1.046 123.805 122.820 -0.102 0.000 1.902 11 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 11 A C 2.068 179.421 177.584 -0.385 0.000 1.181 11 A CA 1.692 53.681 52.037 -0.080 0.000 0.623 11 A CB -0.565 18.505 19.000 0.117 0.000 0.818 11 A HN 0.338 nan 8.150 nan 0.000 0.443 12 M N -0.104 119.093 119.600 -0.671 0.000 2.117 12 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 12 M C 1.958 177.714 176.300 -0.908 0.000 1.065 12 M CA 1.722 56.191 55.300 -1.386 0.000 1.114 12 M CB -0.781 31.175 32.600 -1.073 0.000 1.361 12 M HN 0.437 nan 8.290 nan 0.000 0.408 13 L N -0.387 120.512 121.223 -0.539 0.000 2.191 13 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 13 L C 2.530 179.265 176.870 -0.226 0.000 1.103 13 L CA 1.084 55.714 54.840 -0.350 0.000 0.769 13 L CB -1.316 40.621 42.059 -0.203 0.000 0.908 13 L HN 0.441 nan 8.230 nan 0.000 0.438 14 G N -0.922 107.748 108.800 -0.216 0.000 2.448 14 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 14 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 14 G C 1.448 176.294 174.900 -0.090 0.000 1.127 14 G CA 0.342 45.372 45.100 -0.116 0.000 0.766 14 G HN 0.443 nan 8.290 nan 0.000 0.552 15 Q N -0.937 118.765 119.800 -0.164 0.000 2.189 15 Q HA 0.271 4.611 4.340 -0.000 0.000 0.223 15 Q C 2.023 177.966 176.000 -0.094 0.000 0.828 15 Q CA -0.272 55.498 55.803 -0.055 0.000 0.967 15 Q CB 1.055 29.877 28.738 0.139 0.000 1.139 15 Q HN 0.270 nan 8.270 nan 0.000 0.497 16 V N 0.306 120.083 119.914 -0.228 0.000 2.626 16 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 16 V C 1.481 177.508 176.094 -0.112 0.000 1.067 16 V CA 1.938 64.068 62.300 -0.283 0.000 1.081 16 V CB -0.173 31.356 31.823 -0.489 0.000 0.686 16 V HN 0.402 nan 8.190 nan 0.000 0.468 17 H N 0.714 119.727 119.070 -0.095 0.000 2.422 17 H HA -0.100 4.453 4.556 -0.005 0.000 0.298 17 H C 2.121 177.426 175.328 -0.038 0.000 1.098 17 H CA 2.000 58.022 56.048 -0.044 0.000 1.315 17 H CB 0.039 29.780 29.762 -0.035 0.000 1.382 17 H HN 0.591 nan 8.280 nan 0.000 0.523 18 E N 0.155 120.400 120.200 0.075 0.000 2.489 18 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 18 E C -0.324 176.249 176.600 -0.046 0.000 1.057 18 E CA -0.068 56.343 56.400 0.017 0.000 0.866 18 E CB 0.729 30.436 29.700 0.012 0.000 0.916 18 E HN 0.087 nan 8.360 nan 0.000 0.500 19 V N 3.474 123.361 119.914 -0.045 0.000 2.461 19 V HA 0.152 4.271 4.120 -0.000 0.000 0.275 19 V C -2.105 173.941 176.094 -0.080 0.000 1.047 19 V CA -1.848 60.388 62.300 -0.107 0.000 0.955 19 V CB 0.771 32.598 31.823 0.006 0.000 0.988 19 V HN -0.010 nan 8.190 nan 0.000 0.471 20 P HA 0.190 nan 4.420 nan 0.000 0.274 20 P C -0.182 177.257 177.300 0.232 0.000 1.237 20 P CA -0.541 62.589 63.100 0.049 0.000 0.793 20 P CB 0.493 32.251 31.700 0.096 0.000 0.977 21 E N 0.567 120.885 120.200 0.196 0.000 2.442 21 E HA 0.214 4.564 4.350 -0.000 0.000 0.262 21 E C 1.111 177.869 176.600 0.264 0.000 1.004 21 E CA 0.910 57.429 56.400 0.198 0.000 0.928 21 E CB -0.302 29.474 29.700 0.127 0.000 0.937 21 E HN 0.803 nan 8.360 nan 0.000 0.446 22 G N 2.078 111.007 108.800 0.215 0.000 2.176 22 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.253 22 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.253 22 G C -0.475 174.489 174.900 0.106 0.000 0.979 22 G CA -0.244 44.937 45.100 0.135 0.000 0.641 22 G HN 0.484 nan 8.290 nan 0.000 0.530 23 W N 1.023 122.371 121.300 0.080 0.000 2.316 23 W HA 0.708 5.368 4.660 -0.001 0.000 0.321 23 W C 0.687 177.279 176.519 0.121 0.000 1.203 23 W CA -0.854 56.546 57.345 0.092 0.000 1.214 23 W CB 0.558 30.079 29.460 0.102 0.000 1.169 23 W HN -0.071 nan 8.180 nan 0.000 0.561 24 L N 4.251 125.644 121.223 0.284 0.000 2.399 24 L HA 0.461 4.801 4.340 -0.000 0.000 0.266 24 L C -0.120 176.976 176.870 0.377 0.000 1.114 24 L CA -0.670 54.334 54.840 0.273 0.000 0.804 24 L CB 0.644 42.807 42.059 0.172 0.000 1.146 24 L HN 0.343 nan 8.230 nan 0.000 0.451 25 I N 2.487 123.296 120.570 0.398 0.000 2.499 25 I HA 0.294 4.464 4.170 -0.000 0.000 0.288 25 I C -1.025 175.405 176.117 0.523 0.000 1.048 25 I CA -0.402 61.194 61.300 0.494 0.000 1.062 25 I CB 2.327 40.528 38.000 0.335 0.000 1.238 25 I HN 0.312 nan 8.210 nan 0.000 0.426 26 F N 8.029 128.195 119.950 0.360 0.000 2.495 26 F HA 0.717 5.244 4.527 -0.000 0.000 0.327 26 F C -0.689 175.298 175.800 0.313 0.000 1.103 26 F CA -0.841 57.320 58.000 0.267 0.000 0.949 26 F CB 1.566 40.662 39.000 0.160 0.000 1.142 26 F HN 0.115 nan 8.300 nan 0.000 0.457 27 V N 4.592 124.201 119.914 -0.508 0.000 2.378 27 V HA 0.747 4.866 4.120 -0.000 0.000 0.288 27 V C 0.425 176.056 176.094 -0.772 0.000 1.016 27 V CA -0.046 62.035 62.300 -0.366 0.000 0.840 27 V CB 0.344 32.104 31.823 -0.104 0.000 0.994 27 V HN 1.041 nan 8.190 nan 0.000 0.431 28 A N 2.907 125.487 122.820 -0.400 0.000 1.873 28 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 28 A C 1.948 179.475 177.584 -0.096 0.000 1.186 28 A CA 1.893 53.825 52.037 -0.175 0.000 0.616 28 A CB -0.438 18.652 19.000 0.150 0.000 0.823 28 A HN 1.059 nan 8.150 nan 0.000 0.442 29 E N 0.167 120.331 120.200 -0.060 0.000 2.077 29 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 29 E C 2.005 178.586 176.600 -0.032 0.000 0.989 29 E CA 1.818 58.207 56.400 -0.018 0.000 0.800 29 E CB -0.311 29.387 29.700 -0.003 0.000 0.746 29 E HN 0.702 nan 8.360 nan 0.000 0.452 30 Q N -0.205 119.552 119.800 -0.071 0.000 2.424 30 Q HA 0.045 4.384 4.340 -0.000 0.000 0.204 30 Q C -0.411 175.547 176.000 -0.071 0.000 0.933 30 Q CA 0.535 56.308 55.803 -0.050 0.000 0.929 30 Q CB 0.303 29.025 28.738 -0.026 0.000 1.037 30 Q HN 0.326 nan 8.270 nan 0.000 0.511 31 E N 0.941 121.048 120.200 -0.155 0.000 2.389 31 E HA -0.208 4.142 4.350 -0.000 0.000 0.243 31 E C -0.973 175.583 176.600 -0.073 0.000 1.154 31 E CA 0.436 56.786 56.400 -0.083 0.000 0.723 31 E CB -1.234 28.529 29.700 0.104 0.000 1.261 31 E HN 0.431 nan 8.360 nan 0.000 0.390 32 E N 0.146 120.196 120.200 -0.250 0.000 2.207 32 E HA 0.596 4.946 4.350 -0.000 0.000 0.270 32 E C -0.786 175.709 176.600 -0.175 0.000 0.927 32 E CA -0.973 55.314 56.400 -0.188 0.000 0.799 32 E CB 1.827 31.443 29.700 -0.140 0.000 1.172 32 E HN 0.048 nan 8.360 nan 0.000 0.404 33 L N 2.933 124.010 121.223 -0.244 0.000 2.385 33 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 33 L C -1.879 174.790 176.870 -0.336 0.000 0.990 33 L CA -0.382 54.444 54.840 -0.023 0.000 0.821 33 L CB 0.845 42.984 42.059 0.133 0.000 1.279 33 L HN 0.502 nan 8.230 nan 0.000 0.412 34 Y N 2.885 123.291 120.300 0.176 0.000 2.634 34 Y HA 0.738 5.289 4.550 0.001 0.000 0.340 34 Y C -0.680 175.327 175.900 0.179 0.000 1.058 34 Y CA -0.956 57.255 58.100 0.185 0.000 1.081 34 Y CB 2.150 40.745 38.460 0.224 0.000 1.295 34 Y HN 0.377 nan 8.280 nan 0.000 0.487 35 V N 2.098 122.225 119.914 0.355 0.000 2.604 35 V HA 0.610 4.730 4.120 -0.000 0.000 0.305 35 V C -0.859 175.407 176.094 0.285 0.000 1.043 35 V CA -0.878 61.584 62.300 0.269 0.000 0.888 35 V CB 1.537 33.466 31.823 0.176 0.000 0.995 35 V HN 0.754 nan 8.190 nan 0.000 0.429 36 R N 4.711 125.368 120.500 0.262 0.000 2.442 36 R HA 0.567 4.907 4.340 -0.000 0.000 0.291 36 R C -0.535 175.875 176.300 0.184 0.000 1.069 36 R CA 0.616 56.854 56.100 0.231 0.000 1.022 36 R CB 0.865 31.292 30.300 0.212 0.000 0.976 36 R HN 0.839 nan 8.270 nan 0.000 0.443 37 V N 1.008 121.013 119.914 0.152 0.000 3.164 37 V HA 0.491 4.611 4.120 -0.000 0.000 0.313 37 V C -0.419 175.716 176.094 0.068 0.000 1.188 37 V CA -1.184 61.176 62.300 0.100 0.000 1.058 37 V CB 1.529 33.398 31.823 0.078 0.000 1.110 37 V HN 0.822 nan 8.190 nan 0.000 0.453 38 Q N 1.541 121.370 119.800 0.048 0.000 2.262 38 Q HA 0.018 4.357 4.340 -0.000 0.000 0.298 38 Q C 0.610 176.616 176.000 0.010 0.000 1.083 38 Q CA 1.303 57.123 55.803 0.029 0.000 0.962 38 Q CB -0.328 28.424 28.738 0.023 0.000 1.104 38 Q HN 1.024 nan 8.270 nan 0.000 0.376 39 N N 1.939 120.638 118.700 -0.002 0.000 2.714 39 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 39 N C -0.772 174.709 175.510 -0.049 0.000 1.117 39 N CA 1.456 54.490 53.050 -0.028 0.000 0.719 39 N CB -1.003 37.472 38.487 -0.021 0.000 1.081 39 N HN 0.894 nan 8.380 nan 0.000 0.557 40 G N -2.015 106.772 108.800 -0.021 0.000 2.356 40 G HA2 0.491 4.451 3.960 -0.000 0.000 0.281 40 G HA3 0.491 4.451 3.960 -0.000 0.000 0.281 40 G C -1.663 173.303 174.900 0.111 0.000 1.246 40 G CA -0.278 44.795 45.100 -0.045 0.000 0.889 40 G HN 0.696 nan 8.290 nan 0.000 0.486 41 F N -1.244 118.674 119.950 -0.053 0.000 2.641 41 F HA 0.888 5.416 4.527 0.001 0.000 0.308 41 F C -0.679 175.167 175.800 0.076 0.000 1.105 41 F CA -1.469 56.529 58.000 -0.002 0.000 0.964 41 F CB 1.584 40.536 39.000 -0.081 0.000 1.294 41 F HN 0.498 nan 8.300 nan 0.000 0.442 42 R N 1.988 122.659 120.500 0.285 0.000 2.494 42 R HA 0.401 4.741 4.340 -0.000 0.000 0.305 42 R C -0.823 175.684 176.300 0.345 0.000 0.959 42 R CA -1.126 55.099 56.100 0.208 0.000 0.864 42 R CB 2.409 32.779 30.300 0.116 0.000 1.159 42 R HN 0.773 nan 8.270 nan 0.000 0.446 43 K N 2.108 122.680 120.400 0.286 0.000 2.326 43 K HA 0.163 4.483 4.320 -0.000 0.000 0.275 43 K C -0.536 176.054 176.600 -0.017 0.000 1.018 43 K CA -0.272 56.047 56.287 0.053 0.000 0.962 43 K CB 0.860 33.356 32.500 -0.007 0.000 0.953 43 K HN 0.253 nan 8.250 nan 0.000 0.475 44 V N 4.059 123.914 119.914 -0.097 0.000 2.465 44 V HA 0.067 4.187 4.120 -0.000 0.000 0.279 44 V C -0.094 175.968 176.094 -0.053 0.000 1.045 44 V CA -0.594 61.683 62.300 -0.038 0.000 0.938 44 V CB 1.266 33.081 31.823 -0.013 0.000 0.986 44 V HN 0.783 nan 8.190 nan 0.000 0.467 45 Q N 4.474 124.260 119.800 -0.023 0.000 2.293 45 Q HA 0.435 4.775 4.340 -0.000 0.000 0.263 45 Q C -1.138 174.855 176.000 -0.012 0.000 1.002 45 Q CA 0.495 56.286 55.803 -0.019 0.000 0.910 45 Q CB 0.569 29.303 28.738 -0.008 0.000 1.185 45 Q HN 0.663 nan 8.270 nan 0.000 0.401 46 L N 2.957 124.173 121.223 -0.011 0.000 2.319 46 L HA 0.571 4.911 4.340 -0.000 0.000 0.267 46 L C 0.327 177.200 176.870 0.005 0.000 1.011 46 L CA -0.999 53.843 54.840 0.002 0.000 0.818 46 L CB 1.949 44.017 42.059 0.014 0.000 1.316 46 L HN 0.679 nan 8.230 nan 0.000 0.432 47 E N 0.304 120.509 120.200 0.008 0.000 2.504 47 E HA 0.565 4.914 4.350 -0.000 0.000 0.253 47 E C -0.449 176.159 176.600 0.013 0.000 1.151 47 E CA -0.953 55.452 56.400 0.008 0.000 0.972 47 E CB 1.120 30.824 29.700 0.005 0.000 1.247 47 E HN 0.650 nan 8.360 nan 0.000 0.519 48 A N 0.922 123.749 122.820 0.011 0.000 2.507 48 A HA 0.014 4.334 4.320 -0.000 0.000 0.235 48 A C 0.313 177.906 177.584 0.016 0.000 1.070 48 A CA 0.155 52.200 52.037 0.014 0.000 0.768 48 A CB 0.070 19.077 19.000 0.011 0.000 1.011 48 A HN 0.564 nan 8.150 nan 0.000 0.502 49 R N 0.986 121.499 120.500 0.021 0.000 2.484 49 R HA 0.153 4.493 4.340 -0.000 0.000 0.293 49 R C -0.611 175.698 176.300 0.014 0.000 1.023 49 R CA 0.482 56.596 56.100 0.022 0.000 1.037 49 R CB 0.034 30.352 30.300 0.029 0.000 0.951 49 R HN 0.701 nan 8.270 nan 0.000 0.418 50 T N 7.860 122.421 114.554 0.011 0.000 2.771 50 T HA 0.275 4.625 4.350 -0.000 0.000 0.291 50 T C -2.185 172.519 174.700 0.006 0.000 0.954 50 T CA -1.236 60.867 62.100 0.006 0.000 1.045 50 T CB 1.391 70.260 68.868 0.002 0.000 0.917 50 T HN 0.515 nan 8.240 nan 0.000 0.484 51 P HA 0.208 nan 4.420 nan 0.000 0.269 51 P C -0.175 177.127 177.300 0.003 0.000 1.215 51 P CA -0.541 62.563 63.100 0.006 0.000 0.780 51 P CB 0.458 32.161 31.700 0.006 0.000 0.898 52 L N 3.139 124.364 121.223 0.003 0.000 2.461 52 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 52 L C -1.571 175.299 176.870 -0.000 0.000 1.197 52 L CA -1.627 53.212 54.840 -0.000 0.000 0.836 52 L CB -0.693 41.366 42.059 0.000 0.000 1.105 52 L HN 0.331 nan 8.230 nan 0.000 0.477 53 P HA 0.154 nan 4.420 nan 0.000 0.269 53 P C -0.487 176.812 177.300 -0.001 0.000 1.215 53 P CA -0.252 62.846 63.100 -0.002 0.000 0.780 53 P CB 0.486 32.184 31.700 -0.004 0.000 0.898 54 R N 0.000 120.500 120.500 -0.000 0.000 0.000 54 R HA 0.000 4.340 4.340 -0.000 0.000 0.000 54 R CA 0.000 56.100 56.100 0.000 0.000 0.000 54 R CB 0.000 30.300 30.300 0.000 0.000 0.000 54 R HN 0.000 nan 8.270 nan 0.000 0.000