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 3m0p_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 0.000 176.584 176.600 -0.027 0.000 1.382 7 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 7 E CB 0.000 29.658 29.700 -0.070 0.000 0.812 8 L N 3.619 124.837 121.223 -0.008 0.000 2.334 8 L HA 0.796 5.119 4.340 -0.027 0.000 0.275 8 L C -0.180 176.709 176.870 0.032 0.000 1.036 8 L CA -1.083 53.763 54.840 0.010 0.000 0.807 8 L CB 1.583 43.648 42.059 0.010 0.000 1.231 8 L HN 0.450 nan 8.230 nan 0.000 0.438 9 V N 0.656 120.601 119.914 0.053 0.000 3.007 9 V HA 0.610 4.714 4.120 -0.027 0.000 0.311 9 V C -1.067 175.067 176.094 0.067 0.000 1.120 9 V CA -0.974 61.378 62.300 0.086 0.000 0.980 9 V CB 2.171 34.091 31.823 0.163 0.000 1.033 9 V HN 0.566 nan 8.190 nan 0.000 0.429 10 L N 3.626 124.885 121.223 0.059 0.000 2.272 10 L HA 0.893 5.217 4.340 -0.027 0.000 0.289 10 L C 0.622 177.511 176.870 0.031 0.000 1.032 10 L CA -0.227 54.632 54.840 0.031 0.000 0.810 10 L CB 0.885 42.947 42.059 0.005 0.000 1.205 10 L HN 1.181 nan 8.230 nan 0.000 0.422 11 A N 5.957 128.800 122.820 0.038 0.000 2.515 11 A HA 0.224 4.528 4.320 -0.027 0.000 0.263 11 A C 0.986 178.547 177.584 -0.038 0.000 1.096 11 A CA 0.009 52.075 52.037 0.048 0.000 0.769 11 A CB -0.239 18.810 19.000 0.081 0.000 1.040 11 A HN 0.978 nan 8.150 nan 0.000 0.505 12 L N 1.679 122.840 121.223 -0.103 0.000 2.270 12 L HA 0.071 4.395 4.340 -0.027 0.000 0.210 12 L C -0.166 176.285 176.870 -0.698 0.000 1.104 12 L CA 0.851 55.453 54.840 -0.396 0.000 0.804 12 L CB -0.286 41.501 42.059 -0.454 0.000 0.937 12 L HN 0.750 nan 8.230 nan 0.000 0.450 13 Y N -1.633 118.648 120.300 -0.032 0.000 2.581 13 Y HA 0.305 4.839 4.550 -0.027 0.000 0.345 13 Y C -0.288 175.656 175.900 0.074 0.000 1.036 13 Y CA -1.875 56.191 58.100 -0.056 0.000 1.042 13 Y CB 0.760 39.056 38.460 -0.273 0.000 1.289 13 Y HN -0.188 nan 8.280 nan 0.000 0.471 14 D N 0.858 121.407 120.400 0.249 0.000 2.423 14 D HA 0.089 4.713 4.640 -0.027 0.000 0.238 14 D C -1.211 175.309 176.300 0.367 0.000 1.142 14 D CA 0.820 54.956 54.000 0.228 0.000 0.884 14 D CB 0.425 41.310 40.800 0.142 0.000 1.199 14 D HN 0.471 nan 8.370 nan 0.000 0.438 15 Y N 0.951 121.375 120.300 0.206 0.000 2.330 15 Y HA 0.219 4.754 4.550 -0.026 0.000 0.324 15 Y C -1.001 174.991 175.900 0.152 0.000 1.093 15 Y CA -0.820 57.415 58.100 0.225 0.000 1.103 15 Y CB 1.257 39.866 38.460 0.249 0.000 1.183 15 Y HN 0.216 nan 8.280 nan 0.000 0.433 16 Q N 4.323 123.796 119.800 -0.545 0.000 2.257 16 Q HA 0.303 4.627 4.340 -0.027 0.000 0.255 16 Q C -0.729 174.884 176.000 -0.645 0.000 0.920 16 Q CA -0.724 54.834 55.803 -0.409 0.000 0.927 16 Q CB 0.925 29.530 28.738 -0.221 0.000 1.229 16 Q HN 0.731 nan 8.270 nan 0.000 0.433 17 E N 2.204 122.258 120.200 -0.244 0.000 2.414 17 E HA 0.016 4.350 4.350 -0.027 0.000 0.263 17 E C -0.525 176.044 176.600 -0.053 0.000 1.000 17 E CA 0.125 56.495 56.400 -0.051 0.000 0.914 17 E CB 0.824 30.570 29.700 0.077 0.000 0.948 17 E HN 0.394 nan 8.360 nan 0.000 0.444 18 K N 1.205 121.625 120.400 0.033 0.000 2.536 18 K HA 0.152 4.456 4.320 -0.027 0.000 0.203 18 K C -0.890 175.718 176.600 0.014 0.000 1.063 18 K CA 0.015 56.315 56.287 0.021 0.000 1.063 18 K CB 1.082 33.613 32.500 0.052 0.000 0.843 18 K HN 0.620 nan 8.250 nan 0.000 0.521 19 S N -1.333 114.374 115.700 0.013 0.000 2.587 19 S HA 0.333 4.787 4.470 -0.027 0.000 0.269 19 S C -2.583 172.016 174.600 -0.001 0.000 1.154 19 S CA -0.999 57.187 58.200 -0.023 0.000 0.824 19 S CB 1.388 64.532 63.200 -0.093 0.000 1.118 19 S HN -0.134 nan 8.310 nan 0.000 0.462 20 P HA 0.105 nan 4.420 nan 0.000 0.241 20 P C 0.230 177.552 177.300 0.036 0.000 1.191 20 P CA 0.915 64.022 63.100 0.012 0.000 0.771 20 P CB -0.368 31.333 31.700 0.001 0.000 0.929 21 D N -1.448 118.972 120.400 0.033 0.000 2.349 21 D HA 0.029 4.652 4.640 -0.027 0.000 0.214 21 D C 0.373 176.806 176.300 0.221 0.000 1.063 21 D CA -0.049 54.025 54.000 0.123 0.000 0.847 21 D CB -0.182 40.676 40.800 0.096 0.000 0.933 21 D HN 0.174 nan 8.370 nan 0.000 0.513 22 E N -0.517 119.778 120.200 0.159 0.000 2.254 22 E HA 0.552 4.886 4.350 -0.027 0.000 0.261 22 E C -1.073 175.658 176.600 0.219 0.000 1.051 22 E CA -1.156 55.391 56.400 0.246 0.000 0.902 22 E CB 2.701 32.572 29.700 0.284 0.000 1.168 22 E HN -0.083 nan 8.360 nan 0.000 0.423 23 V N 0.501 120.582 119.914 0.278 0.000 3.007 23 V HA 0.328 4.432 4.120 -0.027 0.000 0.311 23 V C -1.052 175.205 176.094 0.271 0.000 1.120 23 V CA -0.422 62.002 62.300 0.207 0.000 0.980 23 V CB 2.557 34.465 31.823 0.141 0.000 1.033 23 V HN 0.710 nan 8.190 nan 0.000 0.429 24 T N 7.291 121.948 114.554 0.172 0.000 2.845 24 T HA 0.629 4.963 4.350 -0.027 0.000 0.288 24 T C -0.219 174.578 174.700 0.163 0.000 0.980 24 T CA -0.222 61.967 62.100 0.148 0.000 1.071 24 T CB 0.789 69.698 68.868 0.067 0.000 0.941 24 T HN 0.824 nan 8.240 nan 0.000 0.487 25 M N 1.395 121.114 119.600 0.198 0.000 2.618 25 M HA 0.671 5.135 4.480 -0.027 0.000 0.281 25 M C -1.757 174.634 176.300 0.152 0.000 1.267 25 M CA -1.076 54.324 55.300 0.166 0.000 0.845 25 M CB 2.693 35.405 32.600 0.187 0.000 1.732 25 M HN 0.401 nan 8.290 nan 0.000 0.461 26 K N 2.366 122.833 120.400 0.111 0.000 2.345 26 K HA 0.383 4.687 4.320 -0.027 0.000 0.255 26 K C -0.988 175.656 176.600 0.074 0.000 0.934 26 K CA -0.596 55.745 56.287 0.090 0.000 0.801 26 K CB 2.241 34.778 32.500 0.061 0.000 1.137 26 K HN 0.899 nan 8.250 nan 0.000 0.424 27 K N 1.743 122.183 120.400 0.067 0.000 2.579 27 K HA -0.201 4.103 4.320 -0.027 0.000 0.277 27 K C 0.795 177.396 176.600 0.002 0.000 0.985 27 K CA 2.148 58.445 56.287 0.017 0.000 1.088 27 K CB -0.119 32.378 32.500 -0.006 0.000 0.836 27 K HN 0.895 nan 8.250 nan 0.000 0.487 28 G N 2.626 111.414 108.800 -0.020 0.000 2.245 28 G HA2 -0.278 3.666 3.960 -0.027 0.000 0.264 28 G HA3 -0.278 3.666 3.960 -0.027 0.000 0.264 28 G C -0.153 174.750 174.900 0.006 0.000 0.985 28 G CA 0.428 45.520 45.100 -0.013 0.000 0.625 28 G HN 0.765 nan 8.290 nan 0.000 0.536 29 D N 0.699 121.112 120.400 0.022 0.000 2.449 29 D HA 0.358 4.982 4.640 -0.027 0.000 0.236 29 D C 0.766 177.085 176.300 0.032 0.000 1.149 29 D CA 0.280 54.300 54.000 0.032 0.000 0.878 29 D CB 0.497 41.328 40.800 0.051 0.000 1.198 29 D HN 0.131 nan 8.370 nan 0.000 0.446 30 I N 3.214 123.802 120.570 0.030 0.000 2.362 30 I HA 0.298 4.452 4.170 -0.027 0.000 0.289 30 I C -0.134 176.003 176.117 0.034 0.000 0.994 30 I CA -0.562 60.755 61.300 0.029 0.000 1.158 30 I CB 0.821 38.833 38.000 0.019 0.000 1.315 30 I HN 0.129 nan 8.210 nan 0.000 0.451 31 L N 4.803 126.050 121.223 0.041 0.000 2.323 31 L HA 0.573 4.897 4.340 -0.027 0.000 0.265 31 L C 0.453 177.342 176.870 0.031 0.000 1.012 31 L CA -0.459 54.407 54.840 0.042 0.000 0.820 31 L CB 1.745 43.843 42.059 0.064 0.000 1.334 31 L HN 0.391 nan 8.230 nan 0.000 0.427 32 T N 2.239 116.804 114.554 0.017 0.000 2.733 32 T HA 0.385 4.718 4.350 -0.027 0.000 0.294 32 T C -0.393 174.300 174.700 -0.012 0.000 0.956 32 T CA -0.256 61.843 62.100 -0.002 0.000 0.987 32 T CB 0.487 69.349 68.868 -0.011 0.000 0.920 32 T HN 0.295 nan 8.240 nan 0.000 0.470 33 L N 5.620 126.828 121.223 -0.025 0.000 2.433 33 L HA 0.242 4.566 4.340 -0.027 0.000 0.275 33 L C 0.603 177.411 176.870 -0.103 0.000 1.128 33 L CA 0.386 55.187 54.840 -0.066 0.000 0.875 33 L CB -0.234 41.754 42.059 -0.118 0.000 1.171 33 L HN 0.719 nan 8.230 nan 0.000 0.463 34 L N 3.982 125.138 121.223 -0.112 0.000 2.316 34 L HA 0.269 4.593 4.340 -0.027 0.000 0.207 34 L C 0.545 177.333 176.870 -0.137 0.000 1.070 34 L CA 0.125 54.895 54.840 -0.117 0.000 0.820 34 L CB 0.057 42.044 42.059 -0.120 0.000 0.992 34 L HN 0.678 nan 8.230 nan 0.000 0.466 35 N N -0.442 118.157 118.700 -0.169 0.000 2.699 35 N HA 0.043 4.767 4.740 -0.027 0.000 0.271 35 N C -0.216 175.160 175.510 -0.225 0.000 1.216 35 N CA 0.143 53.108 53.050 -0.141 0.000 0.844 35 N CB 1.427 39.892 38.487 -0.035 0.000 1.462 35 N HN -0.076 nan 8.380 nan 0.000 0.555 36 S N 0.615 116.031 115.700 -0.473 0.000 2.660 36 S HA 0.046 4.500 4.470 -0.027 0.000 0.227 36 S C 1.387 175.819 174.600 -0.280 0.000 0.948 36 S CA -0.101 57.523 58.200 -0.961 0.000 0.948 36 S CB 0.241 62.635 63.200 -1.344 0.000 0.779 36 S HN 0.401 nan 8.310 nan 0.000 0.487 37 T N 2.929 117.458 114.554 -0.042 0.000 2.788 37 T HA -0.035 4.299 4.350 -0.027 0.000 0.268 37 T C 0.887 175.693 174.700 0.177 0.000 1.044 37 T CA 0.981 63.123 62.100 0.071 0.000 1.139 37 T CB -0.351 68.566 68.868 0.083 0.000 0.867 37 T HN 0.549 nan 8.240 nan 0.000 0.454 38 N N 1.257 120.134 118.700 0.294 0.000 2.472 38 N HA 0.069 4.793 4.740 -0.027 0.000 0.277 38 N C 0.976 176.713 175.510 0.379 0.000 1.081 38 N CA -0.075 53.154 53.050 0.299 0.000 0.973 38 N CB 1.141 39.810 38.487 0.304 0.000 1.105 38 N HN 0.099 nan 8.380 nan 0.000 0.470 39 K N 2.515 123.054 120.400 0.232 0.000 2.211 39 K HA -0.134 4.170 4.320 -0.027 0.000 0.204 39 K C -0.061 176.545 176.600 0.009 0.000 1.047 39 K CA 1.370 57.755 56.287 0.163 0.000 0.935 39 K CB 0.358 32.910 32.500 0.087 0.000 0.728 39 K HN 0.570 nan 8.250 nan 0.000 0.452 40 D N -1.676 118.725 120.400 0.001 0.000 2.514 40 D HA 0.034 4.658 4.640 -0.027 0.000 0.249 40 D C -0.380 175.571 176.300 -0.582 0.000 1.036 40 D CA 0.484 54.330 54.000 -0.258 0.000 0.911 40 D CB 0.321 41.069 40.800 -0.086 0.000 1.145 40 D HN 0.057 nan 8.370 nan 0.000 0.495 41 W N 0.437 121.718 121.300 -0.031 0.000 2.600 41 W HA 0.358 5.000 4.660 -0.031 0.000 0.325 41 W C -0.660 176.145 176.519 0.475 0.000 1.034 41 W CA -0.901 56.493 57.345 0.081 0.000 1.226 41 W CB 1.111 30.580 29.460 0.015 0.000 1.379 41 W HN -0.235 nan 8.180 nan 0.000 0.466 42 W N 2.852 124.353 121.300 0.335 0.000 2.627 42 W HA 0.470 5.129 4.660 -0.003 0.000 0.339 42 W C -0.129 176.439 176.519 0.082 0.000 1.058 42 W CA -2.220 55.254 57.345 0.214 0.000 1.223 42 W CB 1.360 30.855 29.460 0.059 0.000 1.389 42 W HN 0.031 nan 8.180 nan 0.000 0.541 43 K N 2.619 122.999 120.400 -0.032 0.000 2.227 43 K HA 0.504 4.808 4.320 -0.027 0.000 0.280 43 K C -0.529 175.965 176.600 -0.176 0.000 1.041 43 K CA -0.204 55.767 56.287 -0.527 0.000 0.905 43 K CB 0.865 32.876 32.500 -0.816 0.000 1.068 43 K HN 0.377 nan 8.250 nan 0.000 0.470 44 V N -0.056 119.790 119.914 -0.114 0.000 3.141 44 V HA 0.535 4.639 4.120 -0.027 0.000 0.312 44 V C -0.841 175.234 176.094 -0.032 0.000 1.157 44 V CA -1.078 61.207 62.300 -0.025 0.000 1.041 44 V CB 1.850 33.706 31.823 0.056 0.000 1.071 44 V HN 0.786 nan 8.190 nan 0.000 0.441 45 E N 0.539 120.733 120.200 -0.010 0.000 2.158 45 E HA 0.659 4.992 4.350 -0.027 0.000 0.271 45 E C -1.684 174.928 176.600 0.021 0.000 0.911 45 E CA -0.644 55.755 56.400 -0.002 0.000 0.767 45 E CB 2.101 31.795 29.700 -0.011 0.000 1.120 45 E HN 0.694 nan 8.360 nan 0.000 0.405 46 V N 5.405 125.338 119.914 0.032 0.000 2.357 46 V HA 0.175 4.279 4.120 -0.027 0.000 0.284 46 V C 0.690 176.803 176.094 0.032 0.000 1.018 46 V CA -0.648 61.677 62.300 0.042 0.000 0.841 46 V CB 0.731 32.591 31.823 0.063 0.000 0.991 46 V HN 0.994 nan 8.190 nan 0.000 0.437 47 N N 3.797 122.513 118.700 0.026 0.000 1.320 47 N HA -0.329 4.395 4.740 -0.027 0.000 0.139 47 N C 1.041 176.560 175.510 0.015 0.000 0.550 47 N CA 2.417 55.479 53.050 0.020 0.000 1.036 47 N CB -0.578 37.921 38.487 0.020 0.000 1.344 47 N HN 0.792 nan 8.380 nan 0.000 0.468 48 D N -0.043 120.366 120.400 0.015 0.000 2.354 48 D HA 0.163 4.787 4.640 -0.027 0.000 0.209 48 D C -0.094 176.213 176.300 0.012 0.000 1.015 48 D CA 0.403 54.410 54.000 0.011 0.000 0.867 48 D CB 0.157 40.963 40.800 0.011 0.000 0.933 48 D HN 0.311 nan 8.370 nan 0.000 0.520 49 R N 0.382 120.892 120.500 0.017 0.000 2.407 49 R HA 0.474 4.798 4.340 -0.027 0.000 0.303 49 R C -0.126 176.182 176.300 0.014 0.000 0.981 49 R CA -0.419 55.693 56.100 0.020 0.000 0.905 49 R CB 1.474 31.793 30.300 0.031 0.000 1.099 49 R HN -0.013 nan 8.270 nan 0.000 0.459 50 Q N 0.678 120.480 119.800 0.004 0.000 2.348 50 Q HA 0.837 5.160 4.340 -0.027 0.000 0.271 50 Q C -0.172 175.815 176.000 -0.021 0.000 1.067 50 Q CA -1.204 54.587 55.803 -0.021 0.000 0.839 50 Q CB 2.538 31.247 28.738 -0.049 0.000 1.354 50 Q HN 0.750 nan 8.270 nan 0.000 0.447 51 G N 0.282 109.041 108.800 -0.069 0.000 2.315 51 G HA2 0.325 4.269 3.960 -0.027 0.000 0.294 51 G HA3 0.325 4.269 3.960 -0.027 0.000 0.294 51 G C -1.925 172.911 174.900 -0.107 0.000 1.300 51 G CA -1.013 44.059 45.100 -0.046 0.000 0.843 51 G HN 0.347 nan 8.290 nan 0.000 0.527 52 F N 0.338 120.373 119.950 0.143 0.000 2.385 52 F HA 0.651 5.166 4.527 -0.020 0.000 0.336 52 F C 0.998 176.969 175.800 0.284 0.000 1.100 52 F CA -0.199 57.934 58.000 0.222 0.000 1.116 52 F CB 1.983 41.102 39.000 0.198 0.000 1.166 52 F HN 0.445 nan 8.300 nan 0.000 0.511 53 V N 0.245 120.391 119.914 0.387 0.000 3.102 53 V HA 0.658 4.762 4.120 -0.027 0.000 0.312 53 V C -2.957 172.944 176.094 -0.321 0.000 1.135 53 V CA -3.319 58.978 62.300 -0.004 0.000 1.022 53 V CB 1.820 33.609 31.823 -0.056 0.000 1.056 53 V HN 0.408 nan 8.190 nan 0.000 0.436 54 P HA 0.229 nan 4.420 nan 0.000 0.266 54 P C 0.826 177.629 177.300 -0.828 0.000 1.215 54 P CA 0.686 62.971 63.100 -1.357 0.000 0.763 54 P CB 0.990 31.565 31.700 -1.874 0.000 0.806 55 A N 5.277 127.562 122.820 -0.891 0.000 1.958 55 A HA -0.275 4.029 4.320 -0.027 0.000 0.221 55 A C 2.102 179.169 177.584 -0.862 0.000 1.178 55 A CA 2.390 53.657 52.037 -1.283 0.000 0.642 55 A CB -1.501 16.424 19.000 -1.792 0.000 0.816 55 A HN 0.522 nan 8.150 nan 0.000 0.453 56 A N -1.995 120.487 122.820 -0.562 0.000 2.067 56 A HA -0.009 4.295 4.320 -0.027 0.000 0.219 56 A C 1.846 179.473 177.584 0.073 0.000 1.158 56 A CA 1.083 52.984 52.037 -0.226 0.000 0.661 56 A CB -0.664 18.261 19.000 -0.125 0.000 0.801 56 A HN 0.727 nan 8.150 nan 0.000 0.452 57 Y N -0.571 119.601 120.300 -0.213 0.000 2.490 57 Y HA 0.232 4.765 4.550 -0.028 0.000 0.281 57 Y C 0.808 176.686 175.900 -0.036 0.000 1.174 57 Y CA -0.145 57.955 58.100 -0.001 0.000 1.295 57 Y CB 0.217 38.680 38.460 0.005 0.000 1.062 57 Y HN 0.245 nan 8.280 nan 0.000 0.522 58 V N -2.242 117.691 119.914 0.032 0.000 3.074 58 V HA 0.609 4.713 4.120 -0.027 0.000 0.314 58 V C -0.895 175.220 176.094 0.035 0.000 1.117 58 V CA -1.150 61.178 62.300 0.046 0.000 1.014 58 V CB 2.575 34.464 31.823 0.110 0.000 1.057 58 V HN -0.155 nan 8.190 nan 0.000 0.438 59 K N 1.957 122.408 120.400 0.085 0.000 2.507 59 K HA 0.450 4.754 4.320 -0.027 0.000 0.251 59 K C -0.982 175.694 176.600 0.126 0.000 0.943 59 K CA -0.596 55.745 56.287 0.090 0.000 0.794 59 K CB 2.180 34.698 32.500 0.030 0.000 1.188 59 K HN 0.895 nan 8.250 nan 0.000 0.428 60 K N 3.866 124.365 120.400 0.164 0.000 2.350 60 K HA 0.152 4.456 4.320 -0.027 0.000 0.279 60 K C 1.043 177.683 176.600 0.066 0.000 1.027 60 K CA 0.031 56.392 56.287 0.124 0.000 0.969 60 K CB 0.822 33.395 32.500 0.120 0.000 0.954 60 K HN 0.453 nan 8.250 nan 0.000 0.474 61 L N 1.084 122.333 121.223 0.044 0.000 2.556 61 L HA 0.119 4.443 4.340 -0.027 0.000 0.226 61 L C 0.517 177.397 176.870 0.017 0.000 1.089 61 L CA 0.243 55.098 54.840 0.026 0.000 0.864 61 L CB 0.190 42.261 42.059 0.020 0.000 1.067 61 L HN 0.649 nan 8.230 nan 0.000 0.477 62 D N 0.000 120.409 120.400 0.015 0.000 0.000 62 D HA 0.000 4.624 4.640 -0.027 0.000 0.000 62 D CA 0.000 54.002 54.000 0.003 0.000 0.000 62 D CB 0.000 40.798 40.800 -0.004 0.000 0.000 62 D HN 0.000 nan 8.370 nan 0.000 0.000