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 3ofz_1_0 DATA FIRST_RESID 1 DATA SEQUENCE AVQQNKPTRS KRGMRRSHDA LTAVTSLSVD KTSGEKHLRH HITADGYYRG DATA SEQUENCE RKVIAK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.585 177.584 0.002 0.000 1.274 1 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1 A CB 0.000 19.001 19.000 0.002 0.000 0.831 2 V N 3.761 123.677 119.914 0.002 0.000 3.077 2 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 2 V C -0.254 175.841 176.094 0.002 0.000 1.276 2 V CA -0.156 62.145 62.300 0.002 0.000 0.993 2 V CB 2.011 33.835 31.823 0.002 0.000 1.076 2 V HN 1.710 nan 8.190 nan 0.000 0.434 3 Q N 4.421 124.222 119.800 0.002 0.000 2.342 3 Q HA -0.025 4.315 4.340 -0.000 0.000 0.330 3 Q C 0.002 176.003 176.000 0.002 0.000 1.117 3 Q CA 0.798 56.602 55.803 0.002 0.000 1.010 3 Q CB 0.609 29.349 28.738 0.002 0.000 1.204 3 Q HN 0.842 nan 8.270 nan 0.000 0.400 4 Q N 1.448 121.249 119.800 0.002 0.000 2.339 4 Q HA 0.039 4.379 4.340 -0.000 0.000 0.205 4 Q C -0.472 175.529 176.000 0.001 0.000 0.925 4 Q CA 0.709 56.513 55.803 0.001 0.000 0.898 4 Q CB 0.545 29.284 28.738 0.001 0.000 1.013 4 Q HN 0.725 nan 8.270 nan 0.000 0.504 5 N N 0.511 119.212 118.700 0.001 0.000 2.249 5 N HA 0.144 4.884 4.740 -0.000 0.000 0.296 5 N C -1.412 174.099 175.510 0.001 0.000 1.051 5 N CA -0.727 52.324 53.050 0.001 0.000 0.815 5 N CB 1.584 40.072 38.487 0.001 0.000 1.487 5 N HN -0.106 nan 8.380 nan 0.000 0.475 6 K N 2.060 122.460 120.400 0.001 0.000 2.437 6 K HA 0.093 4.413 4.320 -0.000 0.000 0.277 6 K C -2.053 174.547 176.600 0.001 0.000 1.073 6 K CA -0.780 55.508 56.287 0.001 0.000 1.105 6 K CB -0.017 32.484 32.500 0.001 0.000 0.881 6 K HN 0.342 nan 8.250 nan 0.000 0.475 7 P HA -0.045 nan 4.420 nan 0.000 0.268 7 P C -0.551 176.749 177.300 0.001 0.000 1.208 7 P CA -0.210 62.891 63.100 0.002 0.000 0.777 7 P CB 0.705 32.407 31.700 0.002 0.000 0.875 8 T N -0.289 114.265 114.554 0.000 0.000 2.899 8 T HA 0.153 4.503 4.350 -0.000 0.000 0.284 8 T C 1.438 176.137 174.700 -0.002 0.000 1.004 8 T CA -0.706 61.394 62.100 -0.001 0.000 1.043 8 T CB 0.747 69.614 68.868 -0.001 0.000 1.013 8 T HN 0.444 nan 8.240 nan 0.000 0.518 9 R N 1.650 122.149 120.500 -0.003 0.000 2.127 9 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 9 R C 2.136 178.432 176.300 -0.005 0.000 1.134 9 R CA 2.371 58.468 56.100 -0.004 0.000 0.975 9 R CB -1.539 28.759 30.300 -0.004 0.000 0.865 9 R HN 0.701 nan 8.270 nan 0.000 0.447 10 S N 0.703 116.400 115.700 -0.005 0.000 2.356 10 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 10 S C 2.005 176.601 174.600 -0.007 0.000 1.032 10 S CA 1.657 59.853 58.200 -0.007 0.000 1.005 10 S CB -0.202 62.994 63.200 -0.006 0.000 0.867 10 S HN 0.417 nan 8.310 nan 0.000 0.449 11 K N 1.380 121.777 120.400 -0.004 0.000 2.097 11 K HA 0.067 4.387 4.320 -0.000 0.000 0.206 11 K C 2.308 178.907 176.600 -0.002 0.000 1.049 11 K CA 1.199 57.484 56.287 -0.002 0.000 0.933 11 K CB -0.551 31.950 32.500 0.001 0.000 0.717 11 K HN 0.448 nan 8.250 nan 0.000 0.442 12 R N -0.493 120.006 120.500 -0.002 0.000 2.127 12 R HA -0.153 4.187 4.340 -0.000 0.000 0.228 12 R C 2.170 178.466 176.300 -0.007 0.000 1.125 12 R CA 2.174 58.273 56.100 -0.002 0.000 0.904 12 R CB -1.183 29.116 30.300 -0.003 0.000 0.831 12 R HN 0.388 nan 8.270 nan 0.000 0.431 13 G N 1.124 109.918 108.800 -0.011 0.000 2.679 13 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.222 13 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.222 13 G C 1.485 176.367 174.900 -0.030 0.000 1.164 13 G CA 1.788 46.876 45.100 -0.020 0.000 0.769 13 G HN 0.351 nan 8.290 nan 0.000 0.610 14 M N -0.444 119.141 119.600 -0.025 0.000 2.086 14 M HA -0.023 4.457 4.480 -0.000 0.000 0.261 14 M C 2.609 178.896 176.300 -0.023 0.000 1.067 14 M CA 1.643 56.924 55.300 -0.031 0.000 1.116 14 M CB -0.597 31.994 32.600 -0.015 0.000 1.348 14 M HN 0.236 nan 8.290 nan 0.000 0.407 15 R N 0.818 121.319 120.500 0.001 0.000 2.154 15 R HA -0.154 4.186 4.340 -0.000 0.000 0.248 15 R C 1.896 178.212 176.300 0.026 0.000 1.155 15 R CA 1.612 57.726 56.100 0.023 0.000 0.979 15 R CB -0.065 30.247 30.300 0.019 0.000 0.869 15 R HN 0.324 nan 8.270 nan 0.000 0.452 16 R N -0.344 120.153 120.500 -0.006 0.000 2.310 16 R HA 0.022 4.362 4.340 -0.000 0.000 0.202 16 R C 2.060 178.324 176.300 -0.061 0.000 0.933 16 R CA 0.687 56.780 56.100 -0.011 0.000 1.054 16 R CB 0.283 30.574 30.300 -0.014 0.000 0.985 16 R HN 0.303 nan 8.270 nan 0.000 0.489 17 S N 0.407 116.015 115.700 -0.153 0.000 2.440 17 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 17 S C 0.903 175.246 174.600 -0.427 0.000 1.010 17 S CA 0.899 58.909 58.200 -0.317 0.000 0.972 17 S CB -0.203 62.750 63.200 -0.411 0.000 0.774 17 S HN 0.409 nan 8.310 nan 0.000 0.501 18 H N 0.303 119.372 119.070 -0.001 0.000 2.507 18 H HA 0.393 4.949 4.556 -0.000 0.000 0.281 18 H C -0.319 175.009 175.328 -0.001 0.000 1.160 18 H CA -0.293 55.755 56.048 -0.001 0.000 0.981 18 H CB 0.009 29.771 29.762 -0.000 0.000 1.665 18 H HN 0.405 nan 8.280 nan 0.000 0.554 19 D N 0.590 121.025 120.400 0.058 0.000 2.398 19 D HA 0.153 4.793 4.640 -0.000 0.000 0.210 19 D C 1.023 177.338 176.300 0.025 0.000 1.094 19 D CA 0.002 54.027 54.000 0.042 0.000 0.839 19 D CB 0.890 41.704 40.800 0.024 0.000 0.963 19 D HN 0.368 nan 8.370 nan 0.000 0.506 20 A N 0.678 123.510 122.820 0.020 0.000 2.351 20 A HA 0.503 4.823 4.320 -0.000 0.000 0.257 20 A C 0.302 177.895 177.584 0.015 0.000 1.087 20 A CA -0.277 51.766 52.037 0.010 0.000 0.798 20 A CB 0.426 19.427 19.000 0.002 0.000 1.033 20 A HN 0.124 nan 8.150 nan 0.000 0.488 21 L N 0.484 121.711 121.223 0.008 0.000 2.456 21 L HA 0.423 4.763 4.340 -0.000 0.000 0.257 21 L C 0.531 177.404 176.870 0.004 0.000 1.162 21 L CA -0.388 54.456 54.840 0.007 0.000 0.808 21 L CB 0.628 42.688 42.059 0.002 0.000 1.136 21 L HN 0.609 nan 8.230 nan 0.000 0.466 22 T N 1.006 115.562 114.554 0.002 0.000 2.767 22 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 22 T C 0.169 174.864 174.700 -0.008 0.000 0.973 22 T CA -0.546 61.553 62.100 -0.001 0.000 0.996 22 T CB 1.424 70.291 68.868 0.000 0.000 0.927 22 T HN 0.692 nan 8.240 nan 0.000 0.456 23 A N 3.160 125.975 122.820 -0.009 0.000 2.425 23 A HA 0.387 4.707 4.320 -0.000 0.000 0.242 23 A C 1.529 179.101 177.584 -0.020 0.000 1.077 23 A CA -0.482 51.547 52.037 -0.015 0.000 0.781 23 A CB 0.094 19.086 19.000 -0.014 0.000 1.020 23 A HN 0.727 nan 8.150 nan 0.000 0.494 24 V N 1.574 121.471 119.914 -0.028 0.000 2.239 24 V HA -0.152 3.968 4.120 -0.000 0.000 0.242 24 V C 2.257 178.327 176.094 -0.040 0.000 1.038 24 V CA 2.978 65.255 62.300 -0.038 0.000 1.002 24 V CB -1.800 29.992 31.823 -0.050 0.000 0.641 24 V HN 1.931 nan 8.190 nan 0.000 0.449 25 T N -3.666 110.864 114.554 -0.041 0.000 10.376 25 T HA -0.365 3.985 4.350 -0.000 0.000 0.366 25 T C 1.146 175.813 174.700 -0.054 0.000 1.790 25 T CA 1.717 63.793 62.100 -0.040 0.000 2.837 25 T CB -1.985 66.865 68.868 -0.030 0.000 2.485 25 T HN 0.445 nan 8.240 nan 0.000 0.947 26 S N 1.540 117.199 115.700 -0.068 0.000 2.597 26 S HA 0.586 5.056 4.470 -0.000 0.000 0.224 26 S C 0.744 175.266 174.600 -0.130 0.000 0.955 26 S CA -0.188 57.960 58.200 -0.087 0.000 0.933 26 S CB -0.572 62.581 63.200 -0.079 0.000 0.788 26 S HN 0.817 nan 8.310 nan 0.000 0.488 27 L N 0.611 121.756 121.223 -0.130 0.000 2.421 27 L HA 0.810 5.150 4.340 -0.000 0.000 0.263 27 L C -0.290 176.472 176.870 -0.181 0.000 1.122 27 L CA -0.576 54.152 54.840 -0.186 0.000 0.804 27 L CB 1.403 43.374 42.059 -0.148 0.000 1.150 27 L HN 0.138 nan 8.230 nan 0.000 0.457 28 S N 0.547 116.081 115.700 -0.276 0.000 2.685 28 S HA 0.736 5.206 4.470 -0.000 0.000 0.282 28 S C -0.662 173.897 174.600 -0.068 0.000 1.159 28 S CA -0.858 57.240 58.200 -0.170 0.000 0.833 28 S CB 1.656 64.761 63.200 -0.159 0.000 1.151 28 S HN 0.535 nan 8.310 nan 0.000 0.485 29 V N 1.275 121.218 119.914 0.047 0.000 2.532 29 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 29 V C -0.185 176.024 176.094 0.193 0.000 1.041 29 V CA -0.551 61.823 62.300 0.124 0.000 0.926 29 V CB 1.370 33.224 31.823 0.053 0.000 0.992 29 V HN 1.000 nan 8.190 nan 0.000 0.457 30 D N 2.833 123.345 120.400 0.187 0.000 2.348 30 D HA 0.145 4.785 4.640 -0.000 0.000 0.253 30 D C 1.387 177.694 176.300 0.010 0.000 1.161 30 D CA -0.214 53.832 54.000 0.076 0.000 0.876 30 D CB 1.035 41.807 40.800 -0.045 0.000 1.160 30 D HN 0.637 nan 8.370 nan 0.000 0.459 31 K N 1.334 121.742 120.400 0.013 0.000 2.113 31 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 31 K C 1.262 177.834 176.600 -0.046 0.000 1.047 31 K CA 1.327 57.608 56.287 -0.009 0.000 0.928 31 K CB -0.267 32.233 32.500 -0.001 0.000 0.716 31 K HN 0.306 nan 8.250 nan 0.000 0.446 32 T N 0.488 114.992 114.554 -0.084 0.000 2.983 32 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 32 T C 0.943 175.486 174.700 -0.262 0.000 1.037 32 T CA 0.730 62.747 62.100 -0.139 0.000 1.142 32 T CB 0.175 68.976 68.868 -0.111 0.000 0.876 32 T HN 0.488 nan 8.240 nan 0.000 0.455 33 S N 0.020 115.493 115.700 -0.379 0.000 2.568 33 S HA 0.675 5.145 4.470 -0.000 0.000 0.302 33 S C 1.420 175.907 174.600 -0.188 0.000 1.082 33 S CA -0.300 57.661 58.200 -0.399 0.000 1.009 33 S CB 1.630 64.372 63.200 -0.765 0.000 1.069 33 S HN 0.210 nan 8.310 nan 0.000 0.500 34 G N 1.141 109.867 108.800 -0.123 0.000 2.863 34 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 34 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 34 G C 0.014 174.901 174.900 -0.021 0.000 1.315 34 G CA 0.947 46.014 45.100 -0.054 0.000 0.796 34 G HN 1.011 nan 8.290 nan 0.000 0.669 35 E N 0.493 120.691 120.200 -0.004 0.000 2.304 35 E HA -0.147 4.203 4.350 -0.000 0.000 0.345 35 E C 0.091 176.760 176.600 0.115 0.000 1.692 35 E CA 0.961 57.388 56.400 0.045 0.000 1.272 35 E CB -0.200 29.515 29.700 0.025 0.000 0.542 35 E HN 0.578 nan 8.360 nan 0.000 0.354 36 K N 1.501 121.970 120.400 0.114 0.000 2.102 36 K HA 0.488 4.808 4.320 -0.000 0.000 0.244 36 K C 0.314 177.058 176.600 0.239 0.000 1.021 36 K CA -0.273 56.097 56.287 0.138 0.000 0.913 36 K CB 0.700 33.227 32.500 0.045 0.000 1.062 36 K HN 0.688 nan 8.250 nan 0.000 0.485 37 H N -2.417 116.666 119.070 0.022 0.000 3.005 37 H HA 0.268 4.824 4.556 -0.000 0.000 0.311 37 H C -1.428 173.898 175.328 -0.004 0.000 1.366 37 H CA -1.064 55.000 56.048 0.027 0.000 1.210 37 H CB 0.136 29.949 29.762 0.084 0.000 1.894 37 H HN 0.242 nan 8.280 nan 0.000 0.520 38 L N 2.025 123.190 121.223 -0.096 0.000 2.410 38 L HA 0.251 4.591 4.340 -0.000 0.000 0.273 38 L C 1.122 177.915 176.870 -0.128 0.000 1.152 38 L CA -0.434 54.273 54.840 -0.222 0.000 0.855 38 L CB 0.395 42.183 42.059 -0.451 0.000 1.129 38 L HN 0.616 nan 8.230 nan 0.000 0.463 39 R N 2.776 123.151 120.500 -0.209 0.000 2.500 39 R HA -0.143 4.197 4.340 -0.000 0.000 0.281 39 R C 0.111 176.448 176.300 0.061 0.000 0.953 39 R CA 0.574 56.563 56.100 -0.184 0.000 1.108 39 R CB -0.258 29.840 30.300 -0.338 0.000 0.901 39 R HN 0.817 nan 8.270 nan 0.000 0.410 40 H N -0.482 118.807 119.070 0.366 0.000 2.992 40 H HA -0.209 4.346 4.556 -0.000 0.000 0.266 40 H C -0.780 174.595 175.328 0.078 0.000 1.200 40 H CA 0.812 57.051 56.048 0.319 0.000 1.135 40 H CB -1.478 28.416 29.762 0.219 0.000 1.282 40 H HN 0.697 nan 8.280 nan 0.000 0.351 41 H N -1.015 118.088 119.070 0.054 0.000 2.834 41 H HA 0.434 4.990 4.556 -0.000 0.000 0.369 41 H C 0.082 175.271 175.328 -0.232 0.000 1.174 41 H CA -0.927 55.049 56.048 -0.119 0.000 1.165 41 H CB 0.827 30.601 29.762 0.020 0.000 1.820 41 H HN -0.017 nan 8.280 nan 0.000 0.558 42 I N 1.507 121.986 120.570 -0.151 0.000 2.638 42 I HA 0.038 4.208 4.170 -0.000 0.000 0.286 42 I C 1.204 177.347 176.117 0.043 0.000 1.088 42 I CA -0.138 61.097 61.300 -0.109 0.000 1.397 42 I CB 0.576 38.515 38.000 -0.101 0.000 1.414 42 I HN 0.746 nan 8.210 nan 0.000 0.566 43 T N 2.688 117.268 114.554 0.044 0.000 2.849 43 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 43 T C 1.366 176.123 174.700 0.095 0.000 1.004 43 T CA -0.070 62.089 62.100 0.098 0.000 1.021 43 T CB 0.952 69.879 68.868 0.098 0.000 1.013 43 T HN 0.629 nan 8.240 nan 0.000 0.527 44 A N 1.647 124.525 122.820 0.096 0.000 1.870 44 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 44 A C 1.859 179.490 177.584 0.077 0.000 1.224 44 A CA 2.334 54.416 52.037 0.075 0.000 0.650 44 A CB -1.492 17.549 19.000 0.068 0.000 0.836 44 A HN 0.916 nan 8.150 nan 0.000 0.454 45 D N -1.109 119.364 120.400 0.122 0.000 2.392 45 D HA 0.306 4.946 4.640 -0.000 0.000 0.228 45 D C 1.149 177.494 176.300 0.075 0.000 1.003 45 D CA 1.299 55.383 54.000 0.141 0.000 0.917 45 D CB -0.324 40.631 40.800 0.259 0.000 0.890 45 D HN 0.876 nan 8.370 nan 0.000 0.532 46 G N 0.012 108.851 108.800 0.066 0.000 2.255 46 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.239 46 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.239 46 G C -0.491 174.311 174.900 -0.162 0.000 1.083 46 G CA -0.585 44.485 45.100 -0.050 0.000 0.826 46 G HN 0.250 nan 8.290 nan 0.000 0.493 47 Y N -0.742 119.558 120.300 0.001 0.000 2.419 47 Y HA 0.668 5.218 4.550 -0.000 0.000 0.328 47 Y C 0.307 176.240 175.900 0.056 0.000 1.162 47 Y CA -0.958 57.148 58.100 0.011 0.000 1.174 47 Y CB 1.662 40.111 38.460 -0.019 0.000 1.228 47 Y HN 0.280 nan 8.280 nan 0.000 0.473 48 Y N 3.150 123.470 120.300 0.035 0.000 2.359 48 Y HA 0.383 4.933 4.550 -0.000 0.000 0.336 48 Y C -0.524 175.385 175.900 0.015 0.000 1.098 48 Y CA -1.223 56.864 58.100 -0.022 0.000 1.272 48 Y CB 0.435 38.889 38.460 -0.009 0.000 1.112 48 Y HN 0.767 nan 8.280 nan 0.000 0.481 49 R N 3.703 124.144 120.500 -0.099 0.000 3.223 49 R HA -0.170 4.170 4.340 -0.000 0.000 0.262 49 R C 0.490 176.758 176.300 -0.053 0.000 1.052 49 R CA 0.719 56.721 56.100 -0.164 0.000 0.700 49 R CB -1.748 28.311 30.300 -0.402 0.000 1.217 49 R HN 1.200 nan 8.270 nan 0.000 0.408 50 G N 0.392 109.205 108.800 0.023 0.000 2.697 50 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.240 50 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.240 50 G C -0.289 174.702 174.900 0.153 0.000 1.346 50 G CA 0.405 45.550 45.100 0.074 0.000 0.887 50 G HN 0.727 nan 8.290 nan 0.000 0.569 51 R N -1.836 118.765 120.500 0.170 0.000 1.238 51 R HA -0.135 4.205 4.340 -0.000 0.000 0.414 51 R C 0.098 176.444 176.300 0.077 0.000 1.344 51 R CA 1.120 57.289 56.100 0.115 0.000 1.242 51 R CB -0.154 30.169 30.300 0.038 0.000 3.546 51 R HN 1.091 nan 8.270 nan 0.000 0.491 52 K N 4.821 125.169 120.400 -0.087 0.000 2.222 52 K HA 0.229 4.549 4.320 -0.000 0.000 0.243 52 K C 0.195 176.644 176.600 -0.251 0.000 1.160 52 K CA -0.297 55.714 56.287 -0.460 0.000 1.090 52 K CB 0.232 32.409 32.500 -0.537 0.000 1.694 52 K HN 0.403 nan 8.250 nan 0.000 0.361 53 V N 0.259 120.085 119.914 -0.147 0.000 3.566 53 V HA 0.211 4.331 4.120 -0.000 0.000 0.301 53 V C 0.551 176.575 176.094 -0.116 0.000 1.105 53 V CA -0.859 61.396 62.300 -0.075 0.000 1.142 53 V CB -0.107 31.723 31.823 0.013 0.000 1.107 53 V HN 0.600 nan 8.190 nan 0.000 0.481 54 I N 0.455 120.981 120.570 -0.074 0.000 6.282 54 I HA -0.260 3.910 4.170 -0.000 0.000 0.126 54 I C 1.412 177.469 176.117 -0.100 0.000 1.399 54 I CA 1.005 62.260 61.300 -0.075 0.000 2.516 54 I CB -1.762 36.198 38.000 -0.066 0.000 2.632 54 I HN 1.191 nan 8.210 nan 0.000 0.293 55 A N 7.439 130.214 122.820 -0.075 0.000 1.858 55 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 55 A C 1.416 178.962 177.584 -0.063 0.000 1.190 55 A CA 1.504 53.498 52.037 -0.073 0.000 0.617 55 A CB 0.015 18.987 19.000 -0.047 0.000 0.827 55 A HN 0.724 nan 8.150 nan 0.000 0.443 56 K N 0.000 120.374 120.400 -0.043 0.000 0.000 56 K HA 0.000 4.320 4.320 -0.000 0.000 0.000 56 K CA 0.000 56.270 56.287 -0.028 0.000 0.000 56 K CB 0.000 32.489 32.500 -0.019 0.000 0.000 56 K HN 0.000 nan 8.250 nan 0.000 0.000