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 3m0t_1_A DATA FIRST_RESID 6 DATA SEQUENCE KELVLALYDY QEKSPDEVTM KKGDILTLLN STNKDWWKVE VNDRQGFVPA DATA SEQUENCE AYVKKL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.583 176.600 -0.028 0.000 0.988 6 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 6 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 7 E N 3.065 123.245 120.200 -0.034 0.000 2.283 7 E HA 0.339 4.674 4.350 -0.025 0.000 0.258 7 E C -1.102 175.483 176.600 -0.024 0.000 0.893 7 E CA -0.695 55.682 56.400 -0.039 0.000 0.798 7 E CB 1.622 31.279 29.700 -0.071 0.000 1.242 7 E HN 0.414 nan 8.360 nan 0.000 0.414 8 L N 2.901 124.121 121.223 -0.006 0.000 2.334 8 L HA 0.658 4.983 4.340 -0.025 0.000 0.272 8 L C -0.045 176.846 176.870 0.035 0.000 1.020 8 L CA -1.131 53.717 54.840 0.012 0.000 0.812 8 L CB 1.530 43.596 42.059 0.012 0.000 1.264 8 L HN 0.280 nan 8.230 nan 0.000 0.439 9 V N 0.269 120.218 119.914 0.058 0.000 3.040 9 V HA 0.620 4.725 4.120 -0.025 0.000 0.312 9 V C -0.931 175.203 176.094 0.066 0.000 1.115 9 V CA -0.983 61.372 62.300 0.091 0.000 0.998 9 V CB 2.169 34.096 31.823 0.174 0.000 1.042 9 V HN 0.562 nan 8.190 nan 0.000 0.433 10 L N 3.141 124.397 121.223 0.054 0.000 2.296 10 L HA 0.900 5.225 4.340 -0.025 0.000 0.286 10 L C 0.517 177.399 176.870 0.019 0.000 1.023 10 L CA -0.323 54.532 54.840 0.025 0.000 0.812 10 L CB 1.001 43.062 42.059 0.002 0.000 1.223 10 L HN 1.150 nan 8.230 nan 0.000 0.421 11 A N 5.843 128.675 122.820 0.019 0.000 2.444 11 A HA 0.320 4.625 4.320 -0.025 0.000 0.273 11 A C 0.866 178.406 177.584 -0.074 0.000 1.136 11 A CA -0.139 51.910 52.037 0.020 0.000 0.799 11 A CB -0.207 18.826 19.000 0.054 0.000 1.081 11 A HN 0.975 nan 8.150 nan 0.000 0.509 12 L N 1.757 122.886 121.223 -0.155 0.000 2.270 12 L HA 0.091 4.416 4.340 -0.025 0.000 0.210 12 L C -0.208 176.168 176.870 -0.823 0.000 1.104 12 L CA 0.719 55.269 54.840 -0.484 0.000 0.804 12 L CB -0.341 41.360 42.059 -0.597 0.000 0.937 12 L HN 0.735 nan 8.230 nan 0.000 0.450 13 Y N -1.645 118.618 120.300 -0.062 0.000 2.609 13 Y HA 0.328 4.863 4.550 -0.025 0.000 0.342 13 Y C -0.253 175.654 175.900 0.012 0.000 1.058 13 Y CA -1.920 56.120 58.100 -0.101 0.000 1.055 13 Y CB 0.715 38.971 38.460 -0.340 0.000 1.292 13 Y HN -0.187 nan 8.280 nan 0.000 0.476 14 D N 0.783 121.296 120.400 0.189 0.000 2.399 14 D HA 0.072 4.697 4.640 -0.025 0.000 0.241 14 D C -1.205 175.275 176.300 0.300 0.000 1.133 14 D CA 0.677 54.787 54.000 0.182 0.000 0.890 14 D CB 0.696 41.562 40.800 0.109 0.000 1.201 14 D HN 0.489 nan 8.370 nan 0.000 0.432 15 Y N 0.868 121.270 120.300 0.171 0.000 2.396 15 Y HA 0.153 4.688 4.550 -0.024 0.000 0.332 15 Y C -1.084 174.908 175.900 0.153 0.000 1.034 15 Y CA -0.712 57.514 58.100 0.211 0.000 1.057 15 Y CB 1.330 39.963 38.460 0.289 0.000 1.220 15 Y HN 0.118 nan 8.280 nan 0.000 0.440 16 Q N 5.324 124.819 119.800 -0.508 0.000 2.290 16 Q HA 0.181 4.506 4.340 -0.025 0.000 0.259 16 Q C -0.560 175.124 176.000 -0.527 0.000 0.941 16 Q CA -0.723 54.871 55.803 -0.348 0.000 0.912 16 Q CB 1.737 30.354 28.738 -0.201 0.000 1.244 16 Q HN 0.849 nan 8.270 nan 0.000 0.441 17 E N 1.613 121.711 120.200 -0.171 0.000 2.442 17 E HA -0.022 4.313 4.350 -0.025 0.000 0.262 17 E C -0.418 176.157 176.600 -0.043 0.000 1.004 17 E CA 0.364 56.758 56.400 -0.010 0.000 0.928 17 E CB 0.664 30.421 29.700 0.095 0.000 0.937 17 E HN 0.413 nan 8.360 nan 0.000 0.446 18 K N 0.990 121.408 120.400 0.029 0.000 2.438 18 K HA 0.109 4.414 4.320 -0.025 0.000 0.206 18 K C -0.312 176.300 176.600 0.020 0.000 1.081 18 K CA 0.105 56.401 56.287 0.016 0.000 1.053 18 K CB 1.064 33.588 32.500 0.040 0.000 0.908 18 K HN 0.642 nan 8.250 nan 0.000 0.556 19 S N -1.091 114.626 115.700 0.029 0.000 2.625 19 S HA 0.376 4.831 4.470 -0.025 0.000 0.271 19 S C -2.665 171.945 174.600 0.017 0.000 1.161 19 S CA -1.135 57.063 58.200 -0.003 0.000 0.820 19 S CB 1.712 64.878 63.200 -0.056 0.000 1.137 19 S HN -0.290 nan 8.310 nan 0.000 0.470 20 P HA 0.014 nan 4.420 nan 0.000 0.221 20 P C 0.610 177.941 177.300 0.052 0.000 1.150 20 P CA 1.160 64.275 63.100 0.024 0.000 0.800 20 P CB -0.124 31.581 31.700 0.010 0.000 0.787 21 D N -1.277 119.155 120.400 0.053 0.000 2.349 21 D HA -0.034 4.591 4.640 -0.025 0.000 0.215 21 D C 0.357 176.801 176.300 0.240 0.000 1.016 21 D CA 0.352 54.437 54.000 0.142 0.000 0.870 21 D CB -0.350 40.514 40.800 0.106 0.000 0.917 21 D HN 0.198 nan 8.370 nan 0.000 0.524 22 E N -0.240 120.066 120.200 0.177 0.000 2.280 22 E HA 0.475 4.810 4.350 -0.025 0.000 0.264 22 E C -0.911 175.823 176.600 0.223 0.000 1.064 22 E CA -0.912 55.646 56.400 0.262 0.000 0.900 22 E CB 2.844 32.724 29.700 0.300 0.000 1.123 22 E HN -0.086 nan 8.360 nan 0.000 0.418 23 V N 0.717 120.792 119.914 0.267 0.000 3.074 23 V HA 0.400 4.505 4.120 -0.025 0.000 0.314 23 V C -0.876 175.375 176.094 0.261 0.000 1.117 23 V CA -0.372 62.047 62.300 0.199 0.000 1.014 23 V CB 2.537 34.441 31.823 0.135 0.000 1.057 23 V HN 0.693 nan 8.190 nan 0.000 0.438 24 T N 6.574 121.235 114.554 0.177 0.000 2.837 24 T HA 0.653 4.988 4.350 -0.025 0.000 0.285 24 T C -0.279 174.522 174.700 0.168 0.000 0.984 24 T CA -0.254 61.948 62.100 0.170 0.000 1.049 24 T CB 0.835 69.753 68.868 0.085 0.000 0.947 24 T HN 0.787 nan 8.240 nan 0.000 0.472 25 M N 1.059 120.781 119.600 0.203 0.000 2.593 25 M HA 0.689 5.154 4.480 -0.025 0.000 0.290 25 M C -1.538 174.846 176.300 0.140 0.000 1.244 25 M CA -1.145 54.251 55.300 0.158 0.000 0.857 25 M CB 2.349 35.053 32.600 0.174 0.000 1.738 25 M HN 0.182 nan 8.290 nan 0.000 0.461 26 K N 1.344 121.802 120.400 0.097 0.000 2.203 26 K HA 0.434 4.739 4.320 -0.025 0.000 0.251 26 K C -0.954 175.682 176.600 0.059 0.000 0.944 26 K CA -0.955 55.377 56.287 0.075 0.000 0.829 26 K CB 2.513 35.043 32.500 0.049 0.000 1.125 26 K HN 0.653 nan 8.250 nan 0.000 0.430 27 K N 0.648 121.074 120.400 0.043 0.000 2.530 27 K HA -0.110 4.195 4.320 -0.025 0.000 0.280 27 K C 0.672 177.265 176.600 -0.012 0.000 1.004 27 K CA 1.532 57.816 56.287 -0.005 0.000 1.071 27 K CB -0.073 32.411 32.500 -0.028 0.000 0.876 27 K HN 0.840 nan 8.250 nan 0.000 0.487 28 G N 3.016 111.800 108.800 -0.026 0.000 2.195 28 G HA2 -0.209 3.736 3.960 -0.025 0.000 0.246 28 G HA3 -0.209 3.736 3.960 -0.025 0.000 0.246 28 G C -0.349 174.551 174.900 0.000 0.000 0.984 28 G CA 0.141 45.230 45.100 -0.019 0.000 0.633 28 G HN 0.727 nan 8.290 nan 0.000 0.525 29 D N 0.745 121.155 120.400 0.015 0.000 2.399 29 D HA 0.412 5.038 4.640 -0.025 0.000 0.241 29 D C 0.811 177.127 176.300 0.026 0.000 1.133 29 D CA 0.168 54.184 54.000 0.026 0.000 0.890 29 D CB 0.681 41.507 40.800 0.044 0.000 1.201 29 D HN 0.132 nan 8.370 nan 0.000 0.432 30 I N 3.123 123.708 120.570 0.025 0.000 2.330 30 I HA 0.222 4.377 4.170 -0.025 0.000 0.289 30 I C -0.230 175.905 176.117 0.031 0.000 1.001 30 I CA -0.541 60.774 61.300 0.025 0.000 1.193 30 I CB 0.542 38.552 38.000 0.017 0.000 1.345 30 I HN 0.080 nan 8.210 nan 0.000 0.461 31 L N 5.314 126.561 121.223 0.041 0.000 2.334 31 L HA 0.513 4.838 4.340 -0.025 0.000 0.272 31 L C 0.684 177.573 176.870 0.032 0.000 1.020 31 L CA -0.360 54.505 54.840 0.042 0.000 0.812 31 L CB 1.408 43.505 42.059 0.063 0.000 1.264 31 L HN 0.409 nan 8.230 nan 0.000 0.439 32 T N 2.671 117.236 114.554 0.017 0.000 2.749 32 T HA 0.374 4.709 4.350 -0.025 0.000 0.295 32 T C -0.348 174.347 174.700 -0.008 0.000 0.936 32 T CA -0.240 61.860 62.100 0.000 0.000 1.060 32 T CB 0.523 69.386 68.868 -0.009 0.000 0.904 32 T HN 0.284 nan 8.240 nan 0.000 0.500 33 L N 5.470 126.680 121.223 -0.022 0.000 2.361 33 L HA 0.315 4.640 4.340 -0.025 0.000 0.278 33 L C 0.491 177.306 176.870 -0.092 0.000 1.113 33 L CA 0.280 55.086 54.840 -0.056 0.000 0.849 33 L CB -0.039 41.959 42.059 -0.101 0.000 1.155 33 L HN 0.713 nan 8.230 nan 0.000 0.452 34 L N 3.810 124.971 121.223 -0.103 0.000 2.388 34 L HA 0.308 4.633 4.340 -0.025 0.000 0.209 34 L C 0.353 177.149 176.870 -0.124 0.000 1.061 34 L CA 0.095 54.872 54.840 -0.106 0.000 0.834 34 L CB 0.072 42.067 42.059 -0.107 0.000 1.029 34 L HN 0.676 nan 8.230 nan 0.000 0.473 35 N N -0.487 118.122 118.700 -0.151 0.000 2.578 35 N HA 0.071 4.796 4.740 -0.025 0.000 0.282 35 N C -0.552 174.825 175.510 -0.222 0.000 1.119 35 N CA 0.124 53.093 53.050 -0.134 0.000 0.948 35 N CB 1.751 40.218 38.487 -0.033 0.000 1.546 35 N HN -0.059 nan 8.380 nan 0.000 0.525 36 S N 0.603 116.058 115.700 -0.409 0.000 2.651 36 S HA 0.049 4.504 4.470 -0.025 0.000 0.246 36 S C 1.379 175.816 174.600 -0.271 0.000 1.039 36 S CA 0.187 57.887 58.200 -0.833 0.000 1.013 36 S CB -0.315 61.996 63.200 -1.480 0.000 0.861 36 S HN 0.575 nan 8.310 nan 0.000 0.485 37 T N -0.694 113.830 114.554 -0.051 0.000 2.915 37 T HA -0.007 4.328 4.350 -0.025 0.000 0.269 37 T C 0.655 175.442 174.700 0.145 0.000 1.071 37 T CA 0.735 62.862 62.100 0.045 0.000 1.132 37 T CB -0.724 68.171 68.868 0.045 0.000 0.878 37 T HN 0.484 nan 8.240 nan 0.000 0.479 38 N N 1.492 120.343 118.700 0.251 0.000 2.518 38 N HA 0.234 4.959 4.740 -0.025 0.000 0.283 38 N C 1.069 176.796 175.510 0.362 0.000 1.119 38 N CA -0.646 52.574 53.050 0.283 0.000 0.983 38 N CB 1.095 39.769 38.487 0.311 0.000 1.139 38 N HN 0.432 nan 8.380 nan 0.000 0.465 39 K N 1.357 121.890 120.400 0.221 0.000 2.296 39 K HA 0.002 4.307 4.320 -0.025 0.000 0.200 39 K C -0.125 176.471 176.600 -0.007 0.000 1.048 39 K CA 1.105 57.491 56.287 0.164 0.000 0.966 39 K CB 0.351 32.904 32.500 0.090 0.000 0.754 39 K HN 0.476 nan 8.250 nan 0.000 0.466 40 D N -0.586 119.798 120.400 -0.026 0.000 2.431 40 D HA 0.063 4.688 4.640 -0.025 0.000 0.227 40 D C -0.512 175.425 176.300 -0.604 0.000 1.030 40 D CA 0.547 54.362 54.000 -0.309 0.000 0.897 40 D CB 0.309 41.005 40.800 -0.174 0.000 1.058 40 D HN 0.162 nan 8.370 nan 0.000 0.500 41 W N 0.350 121.635 121.300 -0.025 0.000 2.715 41 W HA 0.325 4.968 4.660 -0.029 0.000 0.331 41 W C -0.883 175.927 176.519 0.484 0.000 1.031 41 W CA -0.908 56.489 57.345 0.086 0.000 1.237 41 W CB 1.212 30.688 29.460 0.026 0.000 1.378 41 W HN -0.255 nan 8.180 nan 0.000 0.454 42 W N 3.077 124.582 121.300 0.342 0.000 2.606 42 W HA 0.471 5.129 4.660 -0.003 0.000 0.332 42 W C -0.122 176.451 176.519 0.091 0.000 1.052 42 W CA -2.268 55.210 57.345 0.222 0.000 1.223 42 W CB 1.415 30.912 29.460 0.062 0.000 1.383 42 W HN 0.068 nan 8.180 nan 0.000 0.524 43 K N 2.656 123.068 120.400 0.020 0.000 2.258 43 K HA 0.497 4.802 4.320 -0.025 0.000 0.284 43 K C -0.495 176.000 176.600 -0.175 0.000 1.051 43 K CA -0.196 55.796 56.287 -0.493 0.000 0.923 43 K CB 0.756 32.846 32.500 -0.683 0.000 1.046 43 K HN 0.372 nan 8.250 nan 0.000 0.474 44 V N 0.131 119.964 119.914 -0.135 0.000 3.130 44 V HA 0.539 4.644 4.120 -0.025 0.000 0.310 44 V C -1.115 174.954 176.094 -0.042 0.000 1.158 44 V CA -1.043 61.236 62.300 -0.035 0.000 1.029 44 V CB 1.783 33.635 31.823 0.048 0.000 1.057 44 V HN 0.872 nan 8.190 nan 0.000 0.436 45 E N 0.910 121.100 120.200 -0.016 0.000 2.158 45 E HA 0.690 5.025 4.350 -0.025 0.000 0.271 45 E C -1.727 174.882 176.600 0.015 0.000 0.911 45 E CA -0.690 55.706 56.400 -0.008 0.000 0.767 45 E CB 2.060 31.752 29.700 -0.014 0.000 1.120 45 E HN 0.729 nan 8.360 nan 0.000 0.405 46 V N 5.820 125.749 119.914 0.025 0.000 2.443 46 V HA 0.195 4.300 4.120 -0.025 0.000 0.293 46 V C 0.676 176.788 176.094 0.030 0.000 1.021 46 V CA -0.858 61.464 62.300 0.037 0.000 0.848 46 V CB 0.976 32.834 31.823 0.058 0.000 0.998 46 V HN 0.934 nan 8.190 nan 0.000 0.424 47 N N 3.757 122.472 118.700 0.025 0.000 1.537 47 N HA -0.288 4.437 4.740 -0.025 0.000 0.143 47 N C 0.887 176.405 175.510 0.014 0.000 0.407 47 N CA 2.697 55.758 53.050 0.019 0.000 1.184 47 N CB -0.493 38.006 38.487 0.020 0.000 1.383 47 N HN 0.837 nan 8.380 nan 0.000 0.425 48 D N 0.681 121.090 120.400 0.015 0.000 2.398 48 D HA 0.136 4.761 4.640 -0.025 0.000 0.210 48 D C 0.030 176.337 176.300 0.011 0.000 1.094 48 D CA 0.165 54.171 54.000 0.011 0.000 0.839 48 D CB 0.460 41.267 40.800 0.011 0.000 0.963 48 D HN 0.322 nan 8.370 nan 0.000 0.506 49 R N 0.724 121.234 120.500 0.016 0.000 2.604 49 R HA 0.491 4.816 4.340 -0.025 0.000 0.287 49 R C -0.043 176.263 176.300 0.010 0.000 0.970 49 R CA -0.481 55.630 56.100 0.018 0.000 0.946 49 R CB 1.837 32.156 30.300 0.031 0.000 1.127 49 R HN -0.070 nan 8.270 nan 0.000 0.473 50 Q N 0.273 120.073 119.800 -0.001 0.000 2.365 50 Q HA 0.695 5.021 4.340 -0.025 0.000 0.269 50 Q C -0.383 175.594 176.000 -0.038 0.000 1.061 50 Q CA -0.888 54.895 55.803 -0.032 0.000 0.816 50 Q CB 2.740 31.447 28.738 -0.052 0.000 1.325 50 Q HN 0.861 nan 8.270 nan 0.000 0.446 51 G N 0.776 109.518 108.800 -0.097 0.000 2.321 51 G HA2 0.401 4.346 3.960 -0.025 0.000 0.296 51 G HA3 0.401 4.346 3.960 -0.025 0.000 0.296 51 G C -1.948 172.838 174.900 -0.189 0.000 1.287 51 G CA -0.826 44.224 45.100 -0.085 0.000 0.846 51 G HN 0.342 nan 8.290 nan 0.000 0.508 52 F N 0.250 120.288 119.950 0.146 0.000 2.397 52 F HA 0.691 5.207 4.527 -0.019 0.000 0.331 52 F C 0.904 176.885 175.800 0.302 0.000 1.090 52 F CA -0.346 57.794 58.000 0.234 0.000 1.065 52 F CB 2.080 41.205 39.000 0.209 0.000 1.184 52 F HN 0.444 nan 8.300 nan 0.000 0.499 53 V N -0.141 120.025 119.914 0.421 0.000 3.130 53 V HA 0.703 4.808 4.120 -0.025 0.000 0.310 53 V C -3.019 172.914 176.094 -0.269 0.000 1.158 53 V CA -3.236 59.104 62.300 0.066 0.000 1.029 53 V CB 1.902 33.716 31.823 -0.016 0.000 1.057 53 V HN 0.421 nan 8.190 nan 0.000 0.436 54 P HA 0.322 nan 4.420 nan 0.000 0.271 54 P C 0.616 177.365 177.300 -0.919 0.000 1.220 54 P CA 0.444 62.707 63.100 -1.394 0.000 0.768 54 P CB 1.205 31.786 31.700 -1.865 0.000 0.848 55 A N 4.477 126.713 122.820 -0.973 0.000 1.972 55 A HA -0.140 4.165 4.320 -0.025 0.000 0.219 55 A C 2.056 179.133 177.584 -0.845 0.000 1.169 55 A CA 1.960 53.246 52.037 -1.252 0.000 0.635 55 A CB -1.420 16.545 19.000 -1.725 0.000 0.810 55 A HN 0.531 nan 8.150 nan 0.000 0.446 56 A N -1.758 120.700 122.820 -0.604 0.000 2.067 56 A HA 0.013 4.318 4.320 -0.025 0.000 0.219 56 A C 1.663 179.283 177.584 0.061 0.000 1.158 56 A CA 1.024 52.908 52.037 -0.255 0.000 0.661 56 A CB -0.541 18.363 19.000 -0.161 0.000 0.801 56 A HN 0.544 nan 8.150 nan 0.000 0.452 57 Y N -0.670 119.506 120.300 -0.206 0.000 2.490 57 Y HA 0.262 4.796 4.550 -0.026 0.000 0.281 57 Y C 0.855 176.731 175.900 -0.040 0.000 1.174 57 Y CA -0.520 57.590 58.100 0.016 0.000 1.295 57 Y CB -0.846 37.630 38.460 0.026 0.000 1.062 57 Y HN 0.222 nan 8.280 nan 0.000 0.522 58 V N -2.000 117.923 119.914 0.014 0.000 3.074 58 V HA 0.649 4.754 4.120 -0.025 0.000 0.314 58 V C -0.655 175.446 176.094 0.012 0.000 1.117 58 V CA -1.464 60.848 62.300 0.020 0.000 1.014 58 V CB 2.935 34.803 31.823 0.074 0.000 1.057 58 V HN -0.037 nan 8.190 nan 0.000 0.438 59 K N 1.866 122.302 120.400 0.060 0.000 2.471 59 K HA 0.490 4.795 4.320 -0.025 0.000 0.252 59 K C -0.662 176.011 176.600 0.121 0.000 0.938 59 K CA -0.686 55.645 56.287 0.074 0.000 0.796 59 K CB 1.934 34.447 32.500 0.022 0.000 1.161 59 K HN 0.862 nan 8.250 nan 0.000 0.425 60 K N 3.868 124.371 120.400 0.171 0.000 2.448 60 K HA 0.145 4.450 4.320 -0.025 0.000 0.278 60 K C -0.014 176.628 176.600 0.069 0.000 1.009 60 K CA 0.071 56.438 56.287 0.133 0.000 0.995 60 K CB 0.539 33.116 32.500 0.129 0.000 0.917 60 K HN 0.436 nan 8.250 nan 0.000 0.481 61 L N 0.000 121.251 121.223 0.046 0.000 0.000 61 L HA 0.000 4.325 4.340 -0.025 0.000 0.000 61 L CA 0.000 54.856 54.840 0.026 0.000 0.000 61 L CB 0.000 42.071 42.059 0.020 0.000 0.000 61 L HN 0.000 nan 8.230 nan 0.000 0.000