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 3m0q_1_A DATA FIRST_RESID 7 DATA SEQUENCE ELVLALYDYQ EKSPDEVTMK KGDILTLLNS TNKDWWKVEV NDRQGFVPAA DATA SEQUENCE YVKKLD 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.587 176.600 -0.022 0.000 1.382 7 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 7 E CB 0.000 29.665 29.700 -0.058 0.000 0.812 8 L N 1.141 122.361 121.223 -0.004 0.000 2.322 8 L HA 0.750 5.075 4.340 -0.026 0.000 0.279 8 L C 0.380 177.270 176.870 0.034 0.000 1.036 8 L CA -1.320 53.527 54.840 0.013 0.000 0.807 8 L CB 1.733 43.799 42.059 0.011 0.000 1.226 8 L HN 0.219 nan 8.230 nan 0.000 0.433 9 V N 0.803 120.750 119.914 0.055 0.000 2.962 9 V HA 0.623 4.728 4.120 -0.026 0.000 0.313 9 V C -0.934 175.199 176.094 0.065 0.000 1.099 9 V CA -0.976 61.377 62.300 0.088 0.000 0.971 9 V CB 2.150 34.073 31.823 0.166 0.000 1.028 9 V HN 0.571 nan 8.190 nan 0.000 0.430 10 L N 3.385 124.640 121.223 0.053 0.000 2.309 10 L HA 0.914 5.238 4.340 -0.026 0.000 0.282 10 L C 0.495 177.378 176.870 0.022 0.000 1.036 10 L CA -0.261 54.594 54.840 0.025 0.000 0.806 10 L CB 1.178 43.238 42.059 0.002 0.000 1.220 10 L HN 1.156 nan 8.230 nan 0.000 0.429 11 A N 5.784 128.616 122.820 0.020 0.000 2.396 11 A HA 0.357 4.662 4.320 -0.026 0.000 0.279 11 A C 0.828 178.368 177.584 -0.073 0.000 1.165 11 A CA -0.250 51.800 52.037 0.022 0.000 0.824 11 A CB -0.166 18.869 19.000 0.059 0.000 1.100 11 A HN 0.975 nan 8.150 nan 0.000 0.516 12 L N 1.662 122.789 121.223 -0.161 0.000 2.270 12 L HA 0.082 4.406 4.340 -0.026 0.000 0.210 12 L C -0.264 176.106 176.870 -0.834 0.000 1.104 12 L CA 0.800 55.342 54.840 -0.497 0.000 0.804 12 L CB -0.312 41.369 42.059 -0.630 0.000 0.937 12 L HN 0.743 nan 8.230 nan 0.000 0.450 13 Y N -1.864 118.400 120.300 -0.060 0.000 2.615 13 Y HA 0.317 4.852 4.550 -0.026 0.000 0.341 13 Y C -0.305 175.605 175.900 0.017 0.000 1.089 13 Y CA -1.912 56.128 58.100 -0.100 0.000 1.049 13 Y CB 0.709 38.962 38.460 -0.345 0.000 1.296 13 Y HN -0.201 nan 8.280 nan 0.000 0.470 14 D N 0.724 121.240 120.400 0.193 0.000 2.399 14 D HA 0.092 4.717 4.640 -0.026 0.000 0.241 14 D C -1.204 175.283 176.300 0.312 0.000 1.133 14 D CA 0.723 54.835 54.000 0.187 0.000 0.890 14 D CB 0.617 41.485 40.800 0.112 0.000 1.201 14 D HN 0.486 nan 8.370 nan 0.000 0.432 15 Y N 0.675 121.082 120.300 0.179 0.000 2.401 15 Y HA 0.243 4.778 4.550 -0.025 0.000 0.330 15 Y C -1.061 174.933 175.900 0.157 0.000 1.071 15 Y CA -0.884 57.347 58.100 0.219 0.000 1.049 15 Y CB 1.576 40.212 38.460 0.294 0.000 1.239 15 Y HN 0.208 nan 8.280 nan 0.000 0.437 16 Q N 4.763 124.230 119.800 -0.556 0.000 2.282 16 Q HA 0.323 4.648 4.340 -0.026 0.000 0.260 16 Q C -0.862 174.826 176.000 -0.521 0.000 0.964 16 Q CA -0.748 54.847 55.803 -0.346 0.000 0.880 16 Q CB 1.120 29.735 28.738 -0.205 0.000 1.286 16 Q HN 0.718 nan 8.270 nan 0.000 0.445 17 E N 2.708 122.815 120.200 -0.156 0.000 2.413 17 E HA -0.002 4.333 4.350 -0.026 0.000 0.263 17 E C -0.585 176.001 176.600 -0.024 0.000 1.015 17 E CA 0.134 56.541 56.400 0.010 0.000 0.916 17 E CB 0.857 30.618 29.700 0.101 0.000 0.947 17 E HN 0.627 nan 8.360 nan 0.000 0.440 18 K N 0.987 121.415 120.400 0.047 0.000 2.477 18 K HA 0.109 4.413 4.320 -0.026 0.000 0.208 18 K C -0.400 176.215 176.600 0.025 0.000 1.117 18 K CA 0.124 56.426 56.287 0.026 0.000 1.039 18 K CB 1.089 33.621 32.500 0.054 0.000 0.937 18 K HN 0.653 nan 8.250 nan 0.000 0.570 19 S N -1.367 114.352 115.700 0.030 0.000 2.625 19 S HA 0.367 4.821 4.470 -0.026 0.000 0.271 19 S C -2.618 171.989 174.600 0.011 0.000 1.161 19 S CA -1.175 57.022 58.200 -0.005 0.000 0.820 19 S CB 1.611 64.776 63.200 -0.058 0.000 1.137 19 S HN -0.294 nan 8.310 nan 0.000 0.470 20 P HA -0.071 nan 4.420 nan 0.000 0.218 20 P C 0.608 177.933 177.300 0.043 0.000 1.148 20 P CA 1.636 64.746 63.100 0.017 0.000 0.822 20 P CB -0.191 31.511 31.700 0.002 0.000 0.784 21 D N -1.563 118.858 120.400 0.035 0.000 2.340 21 D HA -0.035 4.589 4.640 -0.026 0.000 0.220 21 D C 0.321 176.756 176.300 0.224 0.000 1.039 21 D CA 0.286 54.357 54.000 0.120 0.000 0.866 21 D CB -0.506 40.333 40.800 0.065 0.000 0.913 21 D HN 0.195 nan 8.370 nan 0.000 0.523 22 E N -0.112 120.186 120.200 0.163 0.000 2.250 22 E HA 0.469 4.804 4.350 -0.026 0.000 0.269 22 E C -0.113 176.620 176.600 0.220 0.000 1.018 22 E CA -1.069 55.482 56.400 0.253 0.000 0.873 22 E CB 2.411 32.291 29.700 0.301 0.000 1.134 22 E HN 0.068 nan 8.360 nan 0.000 0.403 23 V N -1.268 118.802 119.914 0.260 0.000 3.166 23 V HA 0.601 4.705 4.120 -0.026 0.000 0.317 23 V C -0.062 176.192 176.094 0.267 0.000 1.136 23 V CA -0.836 61.586 62.300 0.202 0.000 1.035 23 V CB 1.814 33.722 31.823 0.141 0.000 1.110 23 V HN 0.557 nan 8.190 nan 0.000 0.450 24 T N 3.901 118.563 114.554 0.181 0.000 2.859 24 T HA 0.746 5.080 4.350 -0.026 0.000 0.281 24 T C -0.245 174.558 174.700 0.171 0.000 1.005 24 T CA -0.380 61.823 62.100 0.173 0.000 1.025 24 T CB 1.040 69.959 68.868 0.085 0.000 0.977 24 T HN 0.967 nan 8.240 nan 0.000 0.458 25 M N 1.008 120.731 119.600 0.205 0.000 2.631 25 M HA 0.700 5.164 4.480 -0.026 0.000 0.288 25 M C -1.669 174.716 176.300 0.142 0.000 1.260 25 M CA -1.131 54.266 55.300 0.162 0.000 0.842 25 M CB 2.334 35.040 32.600 0.177 0.000 1.743 25 M HN 0.207 nan 8.290 nan 0.000 0.461 26 K N 1.270 121.729 120.400 0.099 0.000 2.203 26 K HA 0.441 4.745 4.320 -0.026 0.000 0.251 26 K C -0.978 175.659 176.600 0.061 0.000 0.944 26 K CA -0.979 55.354 56.287 0.077 0.000 0.829 26 K CB 2.487 35.017 32.500 0.050 0.000 1.125 26 K HN 0.647 nan 8.250 nan 0.000 0.430 27 K N 0.742 121.169 120.400 0.046 0.000 2.511 27 K HA -0.098 4.207 4.320 -0.026 0.000 0.280 27 K C 0.648 177.243 176.600 -0.010 0.000 1.008 27 K CA 1.490 57.776 56.287 -0.002 0.000 1.050 27 K CB -0.095 32.391 32.500 -0.022 0.000 0.889 27 K HN 0.834 nan 8.250 nan 0.000 0.484 28 G N 3.056 111.841 108.800 -0.025 0.000 2.195 28 G HA2 -0.212 3.732 3.960 -0.026 0.000 0.246 28 G HA3 -0.212 3.732 3.960 -0.026 0.000 0.246 28 G C -0.337 174.564 174.900 0.002 0.000 0.984 28 G CA 0.178 45.267 45.100 -0.018 0.000 0.633 28 G HN 0.733 nan 8.290 nan 0.000 0.525 29 D N 0.790 121.200 120.400 0.017 0.000 2.399 29 D HA 0.411 5.036 4.640 -0.026 0.000 0.241 29 D C 0.830 177.147 176.300 0.027 0.000 1.133 29 D CA 0.117 54.133 54.000 0.027 0.000 0.890 29 D CB 0.679 41.505 40.800 0.045 0.000 1.201 29 D HN 0.126 nan 8.370 nan 0.000 0.432 30 I N 3.187 123.772 120.570 0.025 0.000 2.312 30 I HA 0.251 4.405 4.170 -0.026 0.000 0.290 30 I C 0.140 176.275 176.117 0.031 0.000 1.008 30 I CA -0.388 60.927 61.300 0.025 0.000 1.226 30 I CB 0.412 38.422 38.000 0.016 0.000 1.371 30 I HN 0.114 nan 8.210 nan 0.000 0.468 31 L N 5.040 126.287 121.223 0.040 0.000 2.330 31 L HA 0.553 4.877 4.340 -0.026 0.000 0.271 31 L C 0.373 177.261 176.870 0.030 0.000 1.013 31 L CA -0.721 54.143 54.840 0.041 0.000 0.816 31 L CB 1.838 43.934 42.059 0.062 0.000 1.287 31 L HN 0.414 nan 8.230 nan 0.000 0.435 32 T N 2.814 117.377 114.554 0.015 0.000 2.743 32 T HA 0.327 4.662 4.350 -0.026 0.000 0.293 32 T C -0.287 174.406 174.700 -0.013 0.000 0.945 32 T CA -0.307 61.792 62.100 -0.002 0.000 1.030 32 T CB 0.950 69.812 68.868 -0.011 0.000 0.912 32 T HN 0.210 nan 8.240 nan 0.000 0.483 33 L N 5.355 126.563 121.223 -0.026 0.000 2.361 33 L HA 0.327 4.652 4.340 -0.026 0.000 0.278 33 L C 0.448 177.258 176.870 -0.100 0.000 1.113 33 L CA 0.277 55.080 54.840 -0.062 0.000 0.849 33 L CB -0.013 41.984 42.059 -0.103 0.000 1.155 33 L HN 0.717 nan 8.230 nan 0.000 0.452 34 L N 3.806 124.960 121.223 -0.115 0.000 2.467 34 L HA 0.326 4.650 4.340 -0.026 0.000 0.213 34 L C 0.288 177.080 176.870 -0.131 0.000 1.053 34 L CA 0.064 54.836 54.840 -0.114 0.000 0.847 34 L CB 0.103 42.092 42.059 -0.116 0.000 1.075 34 L HN 0.683 nan 8.230 nan 0.000 0.479 35 N N -0.445 118.157 118.700 -0.164 0.000 2.578 35 N HA 0.064 4.789 4.740 -0.026 0.000 0.282 35 N C -0.603 174.768 175.510 -0.231 0.000 1.119 35 N CA 0.119 53.085 53.050 -0.140 0.000 0.948 35 N CB 1.742 40.210 38.487 -0.032 0.000 1.546 35 N HN -0.068 nan 8.380 nan 0.000 0.525 36 S N 0.641 116.091 115.700 -0.417 0.000 2.651 36 S HA 0.064 4.518 4.470 -0.026 0.000 0.246 36 S C 1.321 175.764 174.600 -0.262 0.000 1.039 36 S CA 0.147 57.843 58.200 -0.840 0.000 1.013 36 S CB -0.348 61.936 63.200 -1.526 0.000 0.861 36 S HN 0.574 nan 8.310 nan 0.000 0.485 37 T N -0.970 113.559 114.554 -0.041 0.000 2.951 37 T HA 0.013 4.348 4.350 -0.026 0.000 0.268 37 T C 0.760 175.549 174.700 0.148 0.000 1.073 37 T CA 0.365 62.495 62.100 0.050 0.000 1.134 37 T CB -0.490 68.407 68.868 0.048 0.000 0.884 37 T HN 0.475 nan 8.240 nan 0.000 0.479 38 N N 1.720 120.573 118.700 0.254 0.000 2.518 38 N HA 0.111 4.835 4.740 -0.026 0.000 0.283 38 N C 1.020 176.741 175.510 0.352 0.000 1.119 38 N CA -0.275 52.941 53.050 0.276 0.000 0.983 38 N CB 1.497 40.168 38.487 0.306 0.000 1.139 38 N HN 0.530 nan 8.380 nan 0.000 0.465 39 K N 1.748 122.277 120.400 0.216 0.000 2.366 39 K HA 0.034 4.338 4.320 -0.026 0.000 0.198 39 K C 0.005 176.603 176.600 -0.004 0.000 1.044 39 K CA 0.963 57.349 56.287 0.165 0.000 0.973 39 K CB 0.432 32.986 32.500 0.089 0.000 0.767 39 K HN 0.377 nan 8.250 nan 0.000 0.475 40 D N -0.429 119.959 120.400 -0.020 0.000 2.379 40 D HA 0.067 4.691 4.640 -0.026 0.000 0.218 40 D C -0.531 175.424 176.300 -0.574 0.000 1.006 40 D CA 0.541 54.363 54.000 -0.297 0.000 0.893 40 D CB 0.292 40.985 40.800 -0.178 0.000 1.019 40 D HN 0.160 nan 8.370 nan 0.000 0.503 41 W N 0.265 121.557 121.300 -0.013 0.000 2.683 41 W HA 0.350 4.992 4.660 -0.030 0.000 0.329 41 W C -0.817 175.999 176.519 0.496 0.000 1.037 41 W CA -0.910 56.493 57.345 0.097 0.000 1.232 41 W CB 1.228 30.708 29.460 0.034 0.000 1.390 41 W HN -0.262 nan 8.180 nan 0.000 0.465 42 W N 3.075 124.592 121.300 0.360 0.000 2.666 42 W HA 0.469 5.127 4.660 -0.003 0.000 0.334 42 W C -0.198 176.361 176.519 0.067 0.000 1.051 42 W CA -2.255 55.226 57.345 0.226 0.000 1.224 42 W CB 1.504 31.002 29.460 0.063 0.000 1.405 42 W HN 0.062 nan 8.180 nan 0.000 0.513 43 K N 2.722 123.089 120.400 -0.054 0.000 2.227 43 K HA 0.533 4.837 4.320 -0.026 0.000 0.280 43 K C -0.552 175.918 176.600 -0.217 0.000 1.041 43 K CA -0.228 55.695 56.287 -0.607 0.000 0.905 43 K CB 0.842 32.823 32.500 -0.864 0.000 1.068 43 K HN 0.370 nan 8.250 nan 0.000 0.470 44 V N 0.100 119.919 119.914 -0.157 0.000 3.102 44 V HA 0.541 4.646 4.120 -0.026 0.000 0.312 44 V C -1.096 174.968 176.094 -0.050 0.000 1.135 44 V CA -1.048 61.223 62.300 -0.047 0.000 1.022 44 V CB 1.764 33.609 31.823 0.038 0.000 1.056 44 V HN 0.881 nan 8.190 nan 0.000 0.436 45 E N 0.875 121.062 120.200 -0.022 0.000 2.145 45 E HA 0.674 5.008 4.350 -0.026 0.000 0.270 45 E C -1.757 174.850 176.600 0.013 0.000 0.906 45 E CA -0.671 55.722 56.400 -0.011 0.000 0.761 45 E CB 2.054 31.744 29.700 -0.017 0.000 1.116 45 E HN 0.706 nan 8.360 nan 0.000 0.408 46 V N 6.184 126.112 119.914 0.024 0.000 2.376 46 V HA 0.174 4.278 4.120 -0.026 0.000 0.287 46 V C 0.758 176.870 176.094 0.030 0.000 1.015 46 V CA -0.749 61.574 62.300 0.038 0.000 0.834 46 V CB 0.841 32.700 31.823 0.059 0.000 1.001 46 V HN 0.956 nan 8.190 nan 0.000 0.428 47 N N 4.831 123.546 118.700 0.025 0.000 1.691 47 N HA -0.296 4.428 4.740 -0.026 0.000 0.146 47 N C 0.974 176.492 175.510 0.014 0.000 0.436 47 N CA 2.737 55.798 53.050 0.019 0.000 1.237 47 N CB -0.508 37.991 38.487 0.020 0.000 1.356 47 N HN 0.941 nan 8.380 nan 0.000 0.422 48 D N 0.377 120.786 120.400 0.015 0.000 2.398 48 D HA 0.204 4.829 4.640 -0.026 0.000 0.210 48 D C 0.205 176.512 176.300 0.011 0.000 1.094 48 D CA 0.237 54.244 54.000 0.011 0.000 0.839 48 D CB 0.068 40.875 40.800 0.011 0.000 0.963 48 D HN 0.418 nan 8.370 nan 0.000 0.506 49 R N 0.060 120.569 120.500 0.016 0.000 2.778 49 R HA 0.582 4.906 4.340 -0.026 0.000 0.277 49 R C -0.448 175.859 176.300 0.011 0.000 0.977 49 R CA -0.670 55.441 56.100 0.018 0.000 0.950 49 R CB 1.920 32.238 30.300 0.031 0.000 1.165 49 R HN -0.007 nan 8.270 nan 0.000 0.474 50 Q N 0.017 119.818 119.800 0.002 0.000 2.375 50 Q HA 0.700 5.024 4.340 -0.026 0.000 0.271 50 Q C -0.544 175.436 176.000 -0.032 0.000 1.074 50 Q CA -0.884 54.901 55.803 -0.030 0.000 0.808 50 Q CB 2.840 31.549 28.738 -0.048 0.000 1.327 50 Q HN 0.861 nan 8.270 nan 0.000 0.441 51 G N 0.696 109.442 108.800 -0.090 0.000 2.321 51 G HA2 0.394 4.339 3.960 -0.026 0.000 0.296 51 G HA3 0.394 4.339 3.960 -0.026 0.000 0.296 51 G C -1.957 172.837 174.900 -0.176 0.000 1.287 51 G CA -0.822 44.237 45.100 -0.068 0.000 0.846 51 G HN 0.339 nan 8.290 nan 0.000 0.508 52 F N 0.248 120.279 119.950 0.135 0.000 2.397 52 F HA 0.681 5.197 4.527 -0.020 0.000 0.331 52 F C 0.935 176.912 175.800 0.295 0.000 1.090 52 F CA -0.281 57.852 58.000 0.222 0.000 1.065 52 F CB 2.051 41.162 39.000 0.184 0.000 1.184 52 F HN 0.440 nan 8.300 nan 0.000 0.499 53 V N -0.129 120.035 119.914 0.417 0.000 3.160 53 V HA 0.695 4.800 4.120 -0.026 0.000 0.310 53 V C -3.028 172.904 176.094 -0.270 0.000 1.181 53 V CA -3.238 59.094 62.300 0.053 0.000 1.047 53 V CB 1.896 33.700 31.823 -0.033 0.000 1.068 53 V HN 0.416 nan 8.190 nan 0.000 0.441 54 P HA 0.326 nan 4.420 nan 0.000 0.271 54 P C 0.630 177.395 177.300 -0.891 0.000 1.220 54 P CA 0.454 62.723 63.100 -1.385 0.000 0.768 54 P CB 1.227 31.797 31.700 -1.884 0.000 0.848 55 A N 4.472 126.738 122.820 -0.924 0.000 1.978 55 A HA -0.160 4.144 4.320 -0.026 0.000 0.220 55 A C 2.033 179.118 177.584 -0.831 0.000 1.170 55 A CA 2.035 53.347 52.037 -1.208 0.000 0.636 55 A CB -1.441 16.528 19.000 -1.718 0.000 0.810 55 A HN 0.536 nan 8.150 nan 0.000 0.448 56 A N -1.869 120.605 122.820 -0.577 0.000 2.119 56 A HA 0.059 4.364 4.320 -0.026 0.000 0.217 56 A C 1.584 179.224 177.584 0.093 0.000 1.153 56 A CA 0.868 52.765 52.037 -0.234 0.000 0.692 56 A CB -0.521 18.399 19.000 -0.133 0.000 0.799 56 A HN 0.540 nan 8.150 nan 0.000 0.458 57 Y N -0.577 119.605 120.300 -0.195 0.000 2.490 57 Y HA 0.266 4.799 4.550 -0.027 0.000 0.281 57 Y C 0.819 176.702 175.900 -0.028 0.000 1.174 57 Y CA -0.536 57.581 58.100 0.028 0.000 1.295 57 Y CB -0.891 37.594 38.460 0.040 0.000 1.062 57 Y HN 0.225 nan 8.280 nan 0.000 0.522 58 V N -2.197 117.737 119.914 0.034 0.000 3.102 58 V HA 0.651 4.755 4.120 -0.026 0.000 0.312 58 V C -0.717 175.391 176.094 0.022 0.000 1.135 58 V CA -1.486 60.836 62.300 0.036 0.000 1.022 58 V CB 3.017 34.897 31.823 0.094 0.000 1.056 58 V HN -0.054 nan 8.190 nan 0.000 0.436 59 K N 1.849 122.287 120.400 0.064 0.000 2.507 59 K HA 0.493 4.797 4.320 -0.026 0.000 0.252 59 K C -0.684 175.985 176.600 0.115 0.000 0.943 59 K CA -0.683 55.647 56.287 0.071 0.000 0.808 59 K CB 1.946 34.458 32.500 0.020 0.000 1.142 59 K HN 0.873 nan 8.250 nan 0.000 0.426 60 K N 3.760 124.257 120.400 0.161 0.000 2.382 60 K HA 0.094 4.398 4.320 -0.026 0.000 0.275 60 K C 0.808 177.449 176.600 0.068 0.000 1.009 60 K CA 0.050 56.413 56.287 0.127 0.000 0.970 60 K CB 0.742 33.318 32.500 0.126 0.000 0.934 60 K HN 0.545 nan 8.250 nan 0.000 0.479 61 L N 1.268 122.519 121.223 0.046 0.000 2.554 61 L HA 0.109 4.434 4.340 -0.026 0.000 0.225 61 L C 0.258 177.139 176.870 0.018 0.000 1.104 61 L CA 0.316 55.172 54.840 0.027 0.000 0.866 61 L CB 0.141 42.212 42.059 0.020 0.000 1.047 61 L HN 0.630 nan 8.230 nan 0.000 0.468 62 D N 0.000 120.410 120.400 0.017 0.000 0.000 62 D HA 0.000 4.624 4.640 -0.026 0.000 0.000 62 D CA 0.000 54.005 54.000 0.008 0.000 0.000 62 D CB 0.000 40.799 40.800 -0.001 0.000 0.000 62 D HN 0.000 nan 8.370 nan 0.000 0.000