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 3kno_1_5 DATA FIRST_RESID 2 DATA SEQUENCE AKHPVPKKKT SKARRDARRS HHALTPPTLV PCPECKAMKP PHTVCPECGY DATA SEQUENCE YAGRKVLEV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.583 177.584 -0.002 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 3 K N -0.161 120.247 120.400 0.014 0.000 2.331 3 K HA 0.705 5.025 4.320 0.000 0.000 0.238 3 K C 1.138 177.782 176.600 0.073 0.000 1.058 3 K CA -0.595 55.708 56.287 0.026 0.000 0.871 3 K CB 0.691 33.216 32.500 0.042 0.000 1.292 3 K HN 0.608 nan 8.250 nan 0.000 0.470 4 H N -0.086 118.984 119.070 0.001 0.000 2.955 4 H HA -0.099 4.457 4.556 0.000 0.000 0.295 4 H C -1.243 174.085 175.328 0.001 0.000 1.029 4 H CA 1.239 57.288 56.048 0.001 0.000 1.066 4 H CB -0.564 29.199 29.762 0.001 0.000 1.562 4 H HN 0.414 nan 8.280 nan 0.000 0.834 5 P HA 0.156 nan 4.420 nan 0.000 0.271 5 P C -1.516 175.809 177.300 0.043 0.000 1.216 5 P CA 0.267 63.390 63.100 0.039 0.000 0.776 5 P CB 1.535 33.232 31.700 -0.004 0.000 0.881 6 V N 3.785 123.716 119.914 0.029 0.000 2.969 6 V HA 0.385 4.505 4.120 0.000 0.000 0.304 6 V C -2.483 173.620 176.094 0.015 0.000 1.192 6 V CA -1.863 60.451 62.300 0.024 0.000 0.962 6 V CB 1.792 33.632 31.823 0.028 0.000 1.045 6 V HN 0.483 nan 8.190 nan 0.000 0.428 7 P HA 0.157 nan 4.420 nan 0.000 0.264 7 P C -0.072 177.232 177.300 0.007 0.000 1.179 7 P CA 0.179 63.283 63.100 0.007 0.000 0.763 7 P CB 0.454 32.158 31.700 0.006 0.000 0.806 8 K N 1.465 121.868 120.400 0.005 0.000 2.352 8 K HA 0.113 4.433 4.320 0.000 0.000 0.194 8 K C 0.239 176.841 176.600 0.003 0.000 1.038 8 K CA 0.907 57.197 56.287 0.005 0.000 1.023 8 K CB 0.389 32.891 32.500 0.003 0.000 0.840 8 K HN 0.188 nan 8.250 nan 0.000 0.519 9 K N 0.069 120.470 120.400 0.002 0.000 2.555 9 K HA 0.165 4.485 4.320 0.000 0.000 0.279 9 K C -1.521 175.080 176.600 0.001 0.000 0.986 9 K CA -0.763 55.525 56.287 0.001 0.000 0.880 9 K CB 1.565 34.066 32.500 0.000 0.000 1.474 9 K HN -0.115 nan 8.250 nan 0.000 0.433 10 K N 2.055 122.455 120.400 0.001 0.000 2.315 10 K HA 0.100 4.420 4.320 0.000 0.000 0.291 10 K C -0.568 176.032 176.600 -0.001 0.000 1.074 10 K CA 0.028 56.315 56.287 0.001 0.000 0.936 10 K CB -0.004 32.496 32.500 0.001 0.000 1.049 10 K HN 0.545 nan 8.250 nan 0.000 0.471 11 T N 1.926 116.479 114.554 -0.001 0.000 2.778 11 T HA -0.036 4.314 4.350 0.000 0.000 0.282 11 T C 0.658 175.356 174.700 -0.004 0.000 0.983 11 T CA -0.412 61.685 62.100 -0.004 0.000 1.193 11 T CB 0.269 69.134 68.868 -0.005 0.000 0.938 11 T HN 0.618 nan 8.240 nan 0.000 0.523 12 S N 3.390 119.087 115.700 -0.006 0.000 2.587 12 S HA 0.129 4.599 4.470 0.000 0.000 0.260 12 S C 1.474 176.069 174.600 -0.007 0.000 1.353 12 S CA -0.928 57.269 58.200 -0.005 0.000 0.995 12 S CB 0.695 63.891 63.200 -0.006 0.000 0.912 12 S HN 0.636 nan 8.310 nan 0.000 0.568 13 K N 1.295 121.692 120.400 -0.006 0.000 2.074 13 K HA -0.156 4.164 4.320 0.000 0.000 0.209 13 K C 2.393 178.987 176.600 -0.011 0.000 1.048 13 K CA 1.658 57.941 56.287 -0.006 0.000 0.926 13 K CB -1.673 30.824 32.500 -0.004 0.000 0.713 13 K HN 0.740 nan 8.250 nan 0.000 0.444 14 A N 1.919 124.732 122.820 -0.012 0.000 1.841 14 A HA -0.207 4.113 4.320 0.000 0.000 0.216 14 A C 2.402 179.972 177.584 -0.024 0.000 1.199 14 A CA 1.964 53.992 52.037 -0.016 0.000 0.621 14 A CB -0.638 18.354 19.000 -0.013 0.000 0.835 14 A HN 0.318 nan 8.150 nan 0.000 0.445 15 R N -0.667 119.819 120.500 -0.022 0.000 2.081 15 R HA -0.149 4.191 4.340 0.000 0.000 0.235 15 R C 2.499 178.776 176.300 -0.038 0.000 1.131 15 R CA 1.618 57.700 56.100 -0.030 0.000 0.960 15 R CB -0.261 30.026 30.300 -0.023 0.000 0.856 15 R HN 0.613 nan 8.270 nan 0.000 0.436 16 R N 0.570 121.054 120.500 -0.026 0.000 2.096 16 R HA -0.180 4.160 4.340 0.000 0.000 0.229 16 R C 1.449 177.727 176.300 -0.037 0.000 1.134 16 R CA 2.471 58.558 56.100 -0.022 0.000 0.917 16 R CB -0.426 29.870 30.300 -0.007 0.000 0.832 16 R HN 0.174 nan 8.270 nan 0.000 0.430 17 D N 0.263 120.645 120.400 -0.031 0.000 2.116 17 D HA -0.176 4.464 4.640 0.000 0.000 0.193 17 D C 1.819 178.071 176.300 -0.080 0.000 0.998 17 D CA 1.873 55.850 54.000 -0.038 0.000 0.836 17 D CB -0.451 40.336 40.800 -0.022 0.000 0.951 17 D HN 0.485 nan 8.370 nan 0.000 0.449 18 A N 0.471 123.244 122.820 -0.079 0.000 1.948 18 A HA -0.236 4.084 4.320 0.000 0.000 0.220 18 A C 2.126 179.591 177.584 -0.198 0.000 1.177 18 A CA 1.794 53.768 52.037 -0.105 0.000 0.636 18 A CB -0.646 18.311 19.000 -0.073 0.000 0.815 18 A HN 0.160 nan 8.150 nan 0.000 0.449 19 R N -0.477 119.907 120.500 -0.193 0.000 2.328 19 R HA 0.004 4.344 4.340 0.000 0.000 0.207 19 R C 1.364 177.370 176.300 -0.491 0.000 1.056 19 R CA 0.782 56.719 56.100 -0.272 0.000 1.016 19 R CB -0.085 30.128 30.300 -0.145 0.000 0.872 19 R HN 0.522 nan 8.270 nan 0.000 0.471 20 R N -0.884 119.337 120.500 -0.465 0.000 2.397 20 R HA 0.081 4.421 4.340 0.000 0.000 0.241 20 R C 1.738 177.741 176.300 -0.495 0.000 0.914 20 R CA 0.594 56.236 56.100 -0.763 0.000 1.071 20 R CB 0.658 30.897 30.300 -0.102 0.000 1.116 20 R HN 0.202 nan 8.270 nan 0.000 0.524 21 S N 0.763 116.247 115.700 -0.360 0.000 2.400 21 S HA -0.175 4.295 4.470 0.000 0.000 0.232 21 S C 1.164 175.807 174.600 0.073 0.000 1.025 21 S CA 1.041 59.169 58.200 -0.119 0.000 0.993 21 S CB -0.306 62.860 63.200 -0.057 0.000 0.808 21 S HN 0.390 nan 8.310 nan 0.000 0.478 22 H N -0.177 118.807 119.070 -0.143 0.000 2.519 22 H HA 0.372 4.928 4.556 0.000 0.000 0.289 22 H C 1.001 176.371 175.328 0.070 0.000 1.040 22 H CA -0.126 55.900 56.048 -0.036 0.000 1.165 22 H CB -0.873 28.875 29.762 -0.023 0.000 1.462 22 H HN 0.692 nan 8.280 nan 0.000 0.555 23 H N 0.380 119.497 119.070 0.078 0.000 2.497 23 H HA 0.291 4.847 4.556 0.000 0.000 0.282 23 H C 1.111 176.463 175.328 0.041 0.000 1.003 23 H CA 0.122 56.196 56.048 0.042 0.000 1.307 23 H CB 0.571 30.339 29.762 0.011 0.000 1.437 23 H HN 0.272 nan 8.280 nan 0.000 0.544 24 A N 2.102 125.023 122.820 0.169 0.000 2.568 24 A HA -0.147 4.173 4.320 0.000 0.000 0.273 24 A C 0.399 178.028 177.584 0.074 0.000 0.978 24 A CA 0.422 52.518 52.037 0.099 0.000 0.946 24 A CB -0.714 18.333 19.000 0.078 0.000 0.842 24 A HN 0.364 nan 8.150 nan 0.000 0.484 25 L N 2.617 123.873 121.223 0.054 0.000 2.473 25 L HA 0.352 4.692 4.340 0.000 0.000 0.268 25 L C 1.101 177.989 176.870 0.030 0.000 1.215 25 L CA 0.590 55.451 54.840 0.036 0.000 0.823 25 L CB 0.871 42.945 42.059 0.025 0.000 1.099 25 L HN 0.898 nan 8.230 nan 0.000 0.483 26 T N 0.037 114.605 114.554 0.024 0.000 2.879 26 T HA 0.554 4.904 4.350 0.000 0.000 0.290 26 T C -2.283 172.426 174.700 0.015 0.000 0.993 26 T CA -1.686 60.426 62.100 0.020 0.000 0.975 26 T CB 1.289 70.170 68.868 0.020 0.000 0.981 26 T HN 0.283 nan 8.240 nan 0.000 0.439 27 P HA 0.224 nan 4.420 nan 0.000 0.265 27 P C -2.066 175.240 177.300 0.010 0.000 1.187 27 P CA -0.736 62.370 63.100 0.010 0.000 0.766 27 P CB -0.163 31.543 31.700 0.009 0.000 0.820 28 P HA 0.033 nan 4.420 nan 0.000 0.269 28 P C -0.472 176.834 177.300 0.010 0.000 1.215 28 P CA -0.183 62.922 63.100 0.009 0.000 0.780 28 P CB 0.332 32.035 31.700 0.005 0.000 0.898 29 T N 0.929 115.493 114.554 0.016 0.000 2.761 29 T HA 0.515 4.865 4.350 0.000 0.000 0.296 29 T C -0.024 174.681 174.700 0.009 0.000 0.934 29 T CA -0.526 61.584 62.100 0.017 0.000 1.091 29 T CB -0.234 68.652 68.868 0.030 0.000 0.896 29 T HN 0.242 nan 8.240 nan 0.000 0.515 30 L N 3.757 124.981 121.223 0.001 0.000 2.323 30 L HA 0.904 5.244 4.340 0.000 0.000 0.265 30 L C -0.240 176.622 176.870 -0.013 0.000 1.012 30 L CA -1.468 53.367 54.840 -0.009 0.000 0.820 30 L CB 2.290 44.344 42.059 -0.009 0.000 1.334 30 L HN 0.761 nan 8.230 nan 0.000 0.427 31 V N -1.040 118.860 119.914 -0.024 0.000 3.216 31 V HA 0.695 4.815 4.120 0.000 0.000 0.302 31 V C -2.983 173.096 176.094 -0.025 0.000 1.286 31 V CA -2.173 60.112 62.300 -0.025 0.000 1.048 31 V CB 2.201 34.000 31.823 -0.040 0.000 1.081 31 V HN 0.489 nan 8.190 nan 0.000 0.442 32 P HA 0.419 nan 4.420 nan 0.000 0.281 32 P C -0.947 176.345 177.300 -0.013 0.000 1.249 32 P CA -0.326 62.766 63.100 -0.014 0.000 0.810 32 P CB 1.031 32.728 31.700 -0.005 0.000 1.008 33 C N 5.266 124.557 119.300 -0.016 0.000 2.281 33 C HA 0.309 4.769 4.460 0.000 0.000 0.336 33 C C -1.095 173.900 174.990 0.009 0.000 1.217 33 C CA -1.962 57.046 59.018 -0.016 0.000 1.730 33 C CB -0.637 27.080 27.740 -0.039 0.000 2.338 33 C HN 0.544 nan 8.230 nan 0.000 0.521 34 P HA -0.168 nan 4.420 nan 0.000 0.218 34 P C 1.006 178.342 177.300 0.059 0.000 1.154 34 P CA 1.715 64.853 63.100 0.064 0.000 0.872 34 P CB 0.118 31.891 31.700 0.122 0.000 0.790 35 E N -2.249 117.983 120.200 0.053 0.000 2.479 35 E HA 0.070 4.420 4.350 0.000 0.000 0.193 35 E C 1.020 177.632 176.600 0.020 0.000 1.049 35 E CA 0.056 56.483 56.400 0.046 0.000 0.870 35 E CB -0.815 28.914 29.700 0.047 0.000 0.944 35 E HN 0.259 nan 8.360 nan 0.000 0.492 36 C N -0.472 118.834 119.300 0.011 0.000 3.299 36 C HA 0.467 4.927 4.460 0.000 0.000 0.366 36 C C 1.034 176.024 174.990 0.001 0.000 3.078 36 C CA -0.258 58.760 59.018 0.001 0.000 1.335 36 C CB 1.034 28.767 27.740 -0.012 0.000 3.510 36 C HN 0.277 nan 8.230 nan 0.000 0.476 37 K N 0.733 121.130 120.400 -0.005 0.000 2.435 37 K HA 0.461 4.781 4.320 0.000 0.000 0.199 37 K C 0.722 177.316 176.600 -0.010 0.000 1.153 37 K CA 0.858 57.143 56.287 -0.004 0.000 0.974 37 K CB 0.177 32.675 32.500 -0.003 0.000 0.997 37 K HN 0.950 nan 8.250 nan 0.000 0.547 38 A N 2.057 124.867 122.820 -0.016 0.000 2.641 38 A HA -0.058 4.262 4.320 0.000 0.000 0.228 38 A C 0.096 177.666 177.584 -0.024 0.000 1.049 38 A CA 0.639 52.663 52.037 -0.023 0.000 0.779 38 A CB -0.056 18.924 19.000 -0.034 0.000 0.947 38 A HN 0.385 nan 8.150 nan 0.000 0.498 39 M N 1.980 121.565 119.600 -0.025 0.000 2.268 39 M HA 0.546 5.026 4.480 0.000 0.000 0.344 39 M C 0.002 176.283 176.300 -0.032 0.000 1.106 39 M CA -0.330 54.956 55.300 -0.024 0.000 1.010 39 M CB 1.602 34.192 32.600 -0.017 0.000 1.649 39 M HN 1.012 nan 8.290 nan 0.000 0.443 40 K N 3.581 123.960 120.400 -0.035 0.000 2.756 40 K HA 0.682 5.002 4.320 0.000 0.000 0.286 40 K C -3.237 173.339 176.600 -0.040 0.000 1.029 40 K CA -1.047 55.215 56.287 -0.042 0.000 0.791 40 K CB 0.097 32.560 32.500 -0.062 0.000 1.481 40 K HN 0.259 nan 8.250 nan 0.000 0.360 41 P HA 0.268 nan 4.420 nan 0.000 0.286 41 P C -2.427 174.848 177.300 -0.041 0.000 1.269 41 P CA -1.336 61.750 63.100 -0.023 0.000 0.787 41 P CB 0.639 32.334 31.700 -0.008 0.000 0.920 42 P HA -0.062 nan 4.420 nan 0.000 0.269 42 P C 0.125 177.356 177.300 -0.114 0.000 1.215 42 P CA 0.689 63.673 63.100 -0.193 0.000 0.780 42 P CB -0.060 31.480 31.700 -0.267 0.000 0.898 43 H N -2.350 116.786 119.070 0.109 0.000 2.862 43 H HA -0.112 4.444 4.556 0.000 0.000 0.290 43 H C 0.336 175.737 175.328 0.121 0.000 1.211 43 H CA 1.333 57.480 56.048 0.165 0.000 1.140 43 H CB -2.601 27.224 29.762 0.104 0.000 1.341 43 H HN 0.705 nan 8.280 nan 0.000 0.392 44 T N -3.745 110.826 114.554 0.027 0.000 2.883 44 T HA 0.557 4.907 4.350 0.000 0.000 0.301 44 T C -0.026 174.352 174.700 -0.538 0.000 1.158 44 T CA -0.695 61.316 62.100 -0.148 0.000 1.007 44 T CB 2.751 71.567 68.868 -0.087 0.000 1.186 44 T HN 0.002 nan 8.240 nan 0.000 0.499 45 V N 1.968 121.545 119.914 -0.562 0.000 2.479 45 V HA 0.170 4.290 4.120 0.000 0.000 0.281 45 V C 1.369 177.235 176.094 -0.380 0.000 1.031 45 V CA -0.606 61.298 62.300 -0.661 0.000 1.038 45 V CB 0.084 31.675 31.823 -0.388 0.000 0.981 45 V HN 1.221 nan 8.190 nan 0.000 0.478 46 C N 10.477 129.557 119.300 -0.368 0.000 2.531 46 C HA 0.084 4.544 4.460 0.000 0.000 0.401 46 C C 0.069 174.967 174.990 -0.153 0.000 1.473 46 C CA -1.124 57.768 59.018 -0.211 0.000 1.472 46 C CB -0.353 27.281 27.740 -0.177 0.000 2.429 46 C HN 0.861 nan 8.230 nan 0.000 0.620 47 P HA -0.124 nan 4.420 nan 0.000 0.235 47 P C 0.335 177.596 177.300 -0.065 0.000 1.166 47 P CA 1.613 64.662 63.100 -0.083 0.000 0.760 47 P CB 0.182 31.842 31.700 -0.066 0.000 0.815 48 E N -1.525 118.635 120.200 -0.067 0.000 2.571 48 E HA 0.012 4.362 4.350 0.000 0.000 0.204 48 E C 1.964 178.535 176.600 -0.048 0.000 0.851 48 E CA 0.574 56.945 56.400 -0.049 0.000 1.358 48 E CB -0.597 29.079 29.700 -0.039 0.000 1.327 48 E HN 0.313 nan 8.360 nan 0.000 0.665 49 C N -0.267 118.997 119.300 -0.060 0.000 2.393 49 C HA 0.769 5.229 4.460 0.000 0.000 0.332 49 C C 1.368 176.311 174.990 -0.079 0.000 1.423 49 C CA 0.034 59.019 59.018 -0.054 0.000 2.097 49 C CB -0.463 27.251 27.740 -0.044 0.000 2.274 49 C HN 0.465 nan 8.230 nan 0.000 0.570 50 G N -0.219 108.502 108.800 -0.131 0.000 2.733 50 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 50 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 50 G C -0.843 173.933 174.900 -0.206 0.000 1.373 50 G CA -0.433 44.544 45.100 -0.206 0.000 0.838 50 G HN 0.629 nan 8.290 nan 0.000 0.588 51 Y N 0.207 120.315 120.300 -0.321 0.000 3.059 51 Y HA 0.115 4.665 4.550 0.000 0.000 0.343 51 Y C 1.806 177.300 175.900 -0.678 0.000 1.273 51 Y CA 1.073 58.738 58.100 -0.725 0.000 1.572 51 Y CB -0.592 37.421 38.460 -0.745 0.000 1.228 51 Y HN 0.722 nan 8.280 nan 0.000 0.610 52 Y N 0.873 121.277 120.300 0.173 0.000 2.392 52 Y HA 0.054 4.604 4.550 0.000 0.000 0.436 52 Y C 1.089 177.032 175.900 0.072 0.000 1.282 52 Y CA -0.121 58.030 58.100 0.086 0.000 1.789 52 Y CB -1.552 36.940 38.460 0.052 0.000 1.229 52 Y HN 0.788 nan 8.280 nan 0.000 0.416 53 A N 1.109 123.999 122.820 0.116 0.000 2.758 53 A HA -0.144 4.176 4.320 0.000 0.000 0.221 53 A C 1.555 179.173 177.584 0.057 0.000 0.680 53 A CA 0.492 52.584 52.037 0.091 0.000 1.457 53 A CB -2.211 16.863 19.000 0.122 0.000 1.235 53 A HN 2.194 nan 8.150 nan 0.000 0.682 54 G N 0.296 109.133 108.800 0.062 0.000 2.472 54 G HA2 0.217 4.177 3.960 0.000 0.000 0.232 54 G HA3 0.217 4.177 3.960 0.000 0.000 0.232 54 G C 0.142 175.051 174.900 0.015 0.000 1.029 54 G CA 1.150 46.281 45.100 0.052 0.000 0.882 54 G HN 1.167 nan 8.290 nan 0.000 0.455 55 R N 0.927 121.438 120.500 0.019 0.000 2.566 55 R HA 0.169 4.509 4.340 0.000 0.000 0.273 55 R C 0.949 177.236 176.300 -0.021 0.000 0.981 55 R CA 0.558 56.660 56.100 0.002 0.000 1.091 55 R CB 0.400 30.704 30.300 0.007 0.000 0.924 55 R HN 0.779 nan 8.270 nan 0.000 0.411 56 K N 2.116 122.504 120.400 -0.020 0.000 2.234 56 K HA 0.227 4.547 4.320 0.000 0.000 0.263 56 K C 0.725 177.312 176.600 -0.022 0.000 1.006 56 K CA -0.017 56.251 56.287 -0.032 0.000 0.854 56 K CB -0.580 31.899 32.500 -0.036 0.000 1.497 56 K HN 0.181 nan 8.250 nan 0.000 0.417 57 V N -1.090 118.810 119.914 -0.024 0.000 2.271 57 V HA -0.005 4.115 4.120 0.000 0.000 0.237 57 V C 0.976 177.063 176.094 -0.012 0.000 1.007 57 V CA 1.159 63.448 62.300 -0.018 0.000 1.007 57 V CB -0.991 30.821 31.823 -0.019 0.000 0.656 57 V HN 0.526 nan 8.190 nan 0.000 0.482 58 L N 0.929 122.147 121.223 -0.009 0.000 2.845 58 L HA 0.407 4.747 4.340 0.000 0.000 0.253 58 L C -1.282 175.585 176.870 -0.004 0.000 0.959 58 L CA -0.307 54.530 54.840 -0.005 0.000 1.001 58 L CB 1.779 43.836 42.059 -0.004 0.000 1.374 58 L HN 0.441 nan 8.230 nan 0.000 0.469 59 E N 2.309 122.508 120.200 -0.001 0.000 2.204 59 E HA 0.573 4.923 4.350 0.000 0.000 0.276 59 E C -0.250 176.352 176.600 0.003 0.000 0.974 59 E CA -0.526 55.874 56.400 0.001 0.000 0.815 59 E CB 3.126 32.827 29.700 0.002 0.000 1.119 59 E HN 0.133 nan 8.360 nan 0.000 0.393 60 V N 0.000 119.916 119.914 0.003 0.000 0.000 60 V HA 0.000 4.120 4.120 0.000 0.000 0.000 60 V CA 0.000 62.303 62.300 0.004 0.000 0.000 60 V CB 0.000 31.825 31.823 0.003 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000