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 2xqe_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 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 K N -0.414 119.990 120.400 0.006 0.000 2.179 3 K HA 0.599 4.919 4.320 -0.000 0.000 0.238 3 K C 1.202 177.843 176.600 0.070 0.000 1.033 3 K CA -0.403 55.888 56.287 0.006 0.000 0.926 3 K CB -0.049 32.454 32.500 0.006 0.000 1.151 3 K HN 0.444 nan 8.250 nan 0.000 0.492 4 H N 0.033 119.104 119.070 0.001 0.000 3.110 4 H HA -0.164 4.392 4.556 -0.000 0.000 0.273 4 H C -1.262 174.067 175.328 0.002 0.000 1.012 4 H CA 0.970 57.019 56.048 0.002 0.000 1.186 4 H CB -0.886 28.877 29.762 0.002 0.000 1.768 4 H HN 0.407 nan 8.280 nan 0.000 0.978 5 P HA 0.101 nan 4.420 nan 0.000 0.271 5 P C -1.436 175.892 177.300 0.046 0.000 1.216 5 P CA 0.410 63.540 63.100 0.050 0.000 0.771 5 P CB 1.248 32.961 31.700 0.021 0.000 0.864 6 V N 4.265 124.198 119.914 0.032 0.000 2.971 6 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 6 V C -2.392 173.711 176.094 0.015 0.000 1.130 6 V CA -2.087 60.228 62.300 0.025 0.000 0.964 6 V CB 2.089 33.928 31.823 0.027 0.000 1.029 6 V HN 0.553 nan 8.190 nan 0.000 0.427 7 P HA 0.229 nan 4.420 nan 0.000 0.267 7 P C -0.124 177.180 177.300 0.007 0.000 1.205 7 P CA -0.174 62.931 63.100 0.008 0.000 0.765 7 P CB 1.275 32.979 31.700 0.006 0.000 0.828 8 K N 2.388 122.790 120.400 0.005 0.000 2.155 8 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 8 K C 0.542 177.143 176.600 0.003 0.000 1.052 8 K CA 1.280 57.569 56.287 0.004 0.000 0.948 8 K CB 0.234 32.735 32.500 0.002 0.000 0.728 8 K HN 0.272 nan 8.250 nan 0.000 0.448 9 K N 0.471 120.872 120.400 0.001 0.000 2.508 9 K HA 0.155 4.475 4.320 -0.000 0.000 0.260 9 K C -1.433 175.166 176.600 -0.001 0.000 0.949 9 K CA -0.770 55.517 56.287 -0.000 0.000 0.834 9 K CB 1.756 34.255 32.500 -0.001 0.000 1.365 9 K HN -0.050 nan 8.250 nan 0.000 0.437 10 K N 2.315 122.714 120.400 -0.002 0.000 2.363 10 K HA 0.056 4.376 4.320 -0.000 0.000 0.289 10 K C -0.327 176.269 176.600 -0.006 0.000 1.063 10 K CA 0.070 56.355 56.287 -0.004 0.000 0.967 10 K CB 0.066 32.563 32.500 -0.005 0.000 0.987 10 K HN 0.629 nan 8.250 nan 0.000 0.473 11 T N 1.607 116.156 114.554 -0.008 0.000 2.908 11 T HA -0.012 4.338 4.350 -0.000 0.000 0.301 11 T C 0.514 175.206 174.700 -0.014 0.000 1.019 11 T CA -0.539 61.555 62.100 -0.011 0.000 1.152 11 T CB 0.591 69.451 68.868 -0.013 0.000 0.966 11 T HN 0.594 nan 8.240 nan 0.000 0.540 12 S N 2.506 118.197 115.700 -0.014 0.000 2.579 12 S HA 0.185 4.655 4.470 -0.000 0.000 0.275 12 S C 1.206 175.793 174.600 -0.021 0.000 1.345 12 S CA -0.941 57.250 58.200 -0.015 0.000 1.031 12 S CB 0.764 63.956 63.200 -0.013 0.000 0.892 12 S HN 0.752 nan 8.310 nan 0.000 0.529 13 K N 1.526 121.914 120.400 -0.021 0.000 2.160 13 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 13 K C 2.365 178.947 176.600 -0.030 0.000 1.047 13 K CA 1.368 57.639 56.287 -0.027 0.000 0.930 13 K CB -0.810 31.676 32.500 -0.023 0.000 0.720 13 K HN 0.733 nan 8.250 nan 0.000 0.450 14 A N 1.995 124.800 122.820 -0.025 0.000 1.849 14 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 14 A C 2.197 179.763 177.584 -0.030 0.000 1.202 14 A CA 1.831 53.854 52.037 -0.025 0.000 0.629 14 A CB -0.577 18.412 19.000 -0.018 0.000 0.834 14 A HN 0.266 nan 8.150 nan 0.000 0.447 15 R N -0.722 119.762 120.500 -0.026 0.000 2.115 15 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 15 R C 2.436 178.712 176.300 -0.040 0.000 1.100 15 R CA 1.254 57.337 56.100 -0.028 0.000 0.980 15 R CB -0.224 30.065 30.300 -0.018 0.000 0.875 15 R HN 0.621 nan 8.270 nan 0.000 0.445 16 R N 0.793 121.267 120.500 -0.042 0.000 2.109 16 R HA -0.171 4.169 4.340 -0.000 0.000 0.227 16 R C 1.418 177.667 176.300 -0.085 0.000 1.132 16 R CA 2.370 58.435 56.100 -0.058 0.000 0.907 16 R CB -0.453 29.816 30.300 -0.052 0.000 0.825 16 R HN 0.171 nan 8.270 nan 0.000 0.432 17 D N 0.411 120.764 120.400 -0.079 0.000 2.149 17 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 17 D C 1.764 178.002 176.300 -0.104 0.000 1.001 17 D CA 1.752 55.697 54.000 -0.093 0.000 0.849 17 D CB -0.482 40.279 40.800 -0.065 0.000 0.939 17 D HN 0.518 nan 8.370 nan 0.000 0.449 18 A N 0.762 123.533 122.820 -0.082 0.000 1.978 18 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 18 A C 2.181 179.695 177.584 -0.117 0.000 1.170 18 A CA 1.616 53.601 52.037 -0.086 0.000 0.636 18 A CB -0.468 18.499 19.000 -0.055 0.000 0.810 18 A HN 0.158 nan 8.150 nan 0.000 0.448 19 R N -0.294 120.144 120.500 -0.104 0.000 2.100 19 R HA 0.012 4.352 4.340 -0.000 0.000 0.220 19 R C 1.883 178.108 176.300 -0.125 0.000 1.091 19 R CA 0.837 56.890 56.100 -0.079 0.000 0.986 19 R CB -0.230 30.048 30.300 -0.036 0.000 0.888 19 R HN 0.502 nan 8.270 nan 0.000 0.444 20 R N 0.784 121.102 120.500 -0.303 0.000 2.328 20 R HA -0.061 4.279 4.340 -0.000 0.000 0.207 20 R C 2.235 178.430 176.300 -0.175 0.000 1.056 20 R CA 0.893 56.575 56.100 -0.697 0.000 1.016 20 R CB -0.221 29.782 30.300 -0.496 0.000 0.872 20 R HN 0.272 nan 8.270 nan 0.000 0.471 21 S N 1.328 116.949 115.700 -0.131 0.000 2.369 21 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 21 S C 1.343 175.926 174.600 -0.028 0.000 1.043 21 S CA 1.217 59.327 58.200 -0.149 0.000 1.074 21 S CB -0.303 62.684 63.200 -0.354 0.000 0.962 21 S HN 0.453 nan 8.310 nan 0.000 0.433 22 H N 0.209 119.417 119.070 0.229 0.000 2.787 22 H HA 0.183 4.739 4.556 -0.000 0.000 0.302 22 H C 0.095 175.444 175.328 0.034 0.000 1.098 22 H CA 0.466 56.575 56.048 0.101 0.000 1.192 22 H CB -0.785 28.987 29.762 0.016 0.000 1.316 22 H HN 0.646 nan 8.280 nan 0.000 0.590 23 H N -0.692 118.409 119.070 0.052 0.000 2.487 23 H HA 0.403 4.959 4.556 -0.000 0.000 0.290 23 H C 1.317 176.660 175.328 0.025 0.000 1.081 23 H CA 0.152 56.221 56.048 0.035 0.000 1.116 23 H CB 0.331 30.101 29.762 0.013 0.000 1.560 23 H HN 0.407 nan 8.280 nan 0.000 0.548 24 A N 0.501 123.389 122.820 0.112 0.000 2.394 24 A HA 0.372 4.692 4.320 -0.000 0.000 0.256 24 A C -0.124 177.488 177.584 0.047 0.000 1.700 24 A CA 0.133 52.212 52.037 0.069 0.000 0.887 24 A CB 0.101 19.134 19.000 0.055 0.000 1.487 24 A HN 0.356 nan 8.150 nan 0.000 0.641 25 L N -1.077 120.165 121.223 0.032 0.000 2.580 25 L HA 0.245 4.585 4.340 -0.000 0.000 0.266 25 L C -0.147 176.731 176.870 0.014 0.000 0.955 25 L CA -0.450 54.402 54.840 0.020 0.000 0.886 25 L CB 2.058 44.129 42.059 0.020 0.000 1.263 25 L HN 0.815 nan 8.230 nan 0.000 0.406 26 T N 3.263 117.822 114.554 0.008 0.000 2.829 26 T HA 0.249 4.599 4.350 -0.000 0.000 0.293 26 T C -2.197 172.506 174.700 0.004 0.000 0.970 26 T CA -0.562 61.541 62.100 0.004 0.000 1.168 26 T CB 0.302 69.168 68.868 -0.002 0.000 0.911 26 T HN 0.196 nan 8.240 nan 0.000 0.535 27 P HA 0.226 nan 4.420 nan 0.000 0.271 27 P C -2.119 175.184 177.300 0.004 0.000 1.233 27 P CA -1.047 62.057 63.100 0.006 0.000 0.764 27 P CB -0.075 31.630 31.700 0.007 0.000 0.825 28 P HA -0.085 nan 4.420 nan 0.000 0.261 28 P C -0.331 176.972 177.300 0.003 0.000 1.158 28 P CA 0.396 63.498 63.100 0.002 0.000 0.758 28 P CB 0.107 31.810 31.700 0.004 0.000 0.763 29 T N 2.303 116.857 114.554 -0.000 0.000 2.749 29 T HA 0.599 4.949 4.350 -0.000 0.000 0.295 29 T C 0.236 174.943 174.700 0.010 0.000 0.936 29 T CA -0.675 61.426 62.100 0.003 0.000 1.060 29 T CB 0.319 69.183 68.868 -0.006 0.000 0.904 29 T HN 0.267 nan 8.240 nan 0.000 0.500 30 L N 2.781 124.015 121.223 0.018 0.000 2.277 30 L HA 0.937 5.277 4.340 -0.000 0.000 0.254 30 L C -0.444 176.446 176.870 0.033 0.000 1.044 30 L CA -1.611 53.245 54.840 0.027 0.000 0.842 30 L CB 2.272 44.346 42.059 0.024 0.000 1.422 30 L HN 0.703 nan 8.230 nan 0.000 0.422 31 V N -2.730 117.208 119.914 0.040 0.000 3.147 31 V HA 0.588 4.708 4.120 -0.000 0.000 0.299 31 V C -2.975 173.141 176.094 0.038 0.000 1.302 31 V CA -2.038 60.286 62.300 0.040 0.000 1.015 31 V CB 1.791 33.645 31.823 0.052 0.000 1.086 31 V HN 0.469 nan 8.190 nan 0.000 0.437 32 P HA 0.334 nan 4.420 nan 0.000 0.275 32 P C -0.478 176.841 177.300 0.032 0.000 1.227 32 P CA -0.054 63.062 63.100 0.027 0.000 0.781 32 P CB 0.646 32.358 31.700 0.020 0.000 0.906 33 C N 6.030 125.350 119.300 0.035 0.000 2.415 33 C HA 0.376 4.836 4.460 -0.000 0.000 0.369 33 C C -1.661 173.348 174.990 0.032 0.000 1.279 33 C CA -2.151 56.892 59.018 0.040 0.000 1.886 33 C CB -0.142 27.627 27.740 0.049 0.000 2.468 33 C HN 0.492 nan 8.230 nan 0.000 0.553 34 P HA 0.216 nan 4.420 nan 0.000 0.228 34 P C 0.019 177.340 177.300 0.035 0.000 1.748 34 P CA 0.947 64.060 63.100 0.022 0.000 0.909 34 P CB 0.032 31.735 31.700 0.004 0.000 1.882 35 E N -1.204 119.018 120.200 0.037 0.000 2.321 35 E HA 0.065 4.415 4.350 -0.000 0.000 0.158 35 E C -0.162 176.458 176.600 0.034 0.000 0.877 35 E CA 0.248 56.672 56.400 0.041 0.000 1.344 35 E CB -0.055 29.682 29.700 0.061 0.000 1.630 35 E HN 0.479 nan 8.360 nan 0.000 0.669 36 C N -0.301 119.017 119.300 0.030 0.000 3.285 36 C HA 0.541 5.001 4.460 -0.000 0.000 0.325 36 C C 0.781 175.784 174.990 0.023 0.000 1.304 36 C CA -0.872 58.162 59.018 0.026 0.000 1.319 36 C CB 1.395 29.152 27.740 0.029 0.000 1.640 36 C HN 0.184 nan 8.230 nan 0.000 0.477 37 K N 0.821 121.232 120.400 0.019 0.000 2.546 37 K HA 0.477 4.797 4.320 -0.000 0.000 0.198 37 K C 0.487 177.098 176.600 0.018 0.000 1.028 37 K CA 0.630 56.927 56.287 0.017 0.000 1.150 37 K CB -0.054 32.454 32.500 0.013 0.000 0.876 37 K HN 0.921 nan 8.250 nan 0.000 0.508 38 A N 1.497 124.330 122.820 0.022 0.000 2.316 38 A HA 0.466 4.786 4.320 -0.000 0.000 0.284 38 A C -0.140 177.460 177.584 0.027 0.000 1.115 38 A CA -0.711 51.339 52.037 0.023 0.000 0.812 38 A CB 0.371 19.386 19.000 0.025 0.000 1.064 38 A HN 0.252 nan 8.150 nan 0.000 0.489 39 M N 2.354 121.969 119.600 0.025 0.000 2.113 39 M HA 0.291 4.771 4.480 -0.000 0.000 0.352 39 M C 0.009 176.329 176.300 0.032 0.000 1.170 39 M CA 0.037 55.353 55.300 0.027 0.000 1.053 39 M CB 0.617 33.230 32.600 0.022 0.000 1.601 39 M HN 0.822 nan 8.290 nan 0.000 0.459 40 K N 4.792 125.217 120.400 0.042 0.000 2.385 40 K HA 0.799 5.119 4.320 -0.000 0.000 0.248 40 K C -2.972 173.661 176.600 0.055 0.000 0.955 40 K CA -1.678 54.638 56.287 0.049 0.000 0.816 40 K CB 2.177 34.715 32.500 0.064 0.000 1.250 40 K HN 0.226 nan 8.250 nan 0.000 0.434 41 P HA 0.149 nan 4.420 nan 0.000 0.271 41 P C -2.494 174.855 177.300 0.081 0.000 1.216 41 P CA -1.335 61.792 63.100 0.045 0.000 0.776 41 P CB -0.031 31.684 31.700 0.026 0.000 0.881 42 P HA -0.091 nan 4.420 nan 0.000 0.260 42 P C -0.273 177.189 177.300 0.270 0.000 1.172 42 P CA 0.909 64.121 63.100 0.187 0.000 0.760 42 P CB -0.684 31.055 31.700 0.065 0.000 0.773 43 H N -0.343 118.787 119.070 0.100 0.000 2.847 43 H HA -0.095 4.461 4.556 -0.000 0.000 0.336 43 H C -0.540 174.863 175.328 0.124 0.000 1.221 43 H CA -0.008 56.127 56.048 0.144 0.000 1.162 43 H CB -2.191 27.629 29.762 0.098 0.000 1.566 43 H HN 0.387 nan 8.280 nan 0.000 0.430 44 T N -0.107 114.611 114.554 0.273 0.000 2.883 44 T HA 0.407 4.757 4.350 -0.000 0.000 0.301 44 T C 0.357 175.124 174.700 0.112 0.000 1.158 44 T CA -0.797 61.376 62.100 0.121 0.000 1.007 44 T CB 2.776 71.694 68.868 0.084 0.000 1.186 44 T HN 0.072 nan 8.240 nan 0.000 0.499 45 V N 1.946 121.816 119.914 -0.073 0.000 2.204 45 V HA 0.239 4.359 4.120 -0.000 0.000 0.264 45 V C 1.085 177.165 176.094 -0.024 0.000 1.106 45 V CA -1.109 61.128 62.300 -0.106 0.000 0.947 45 V CB -0.735 30.887 31.823 -0.336 0.000 1.164 45 V HN 1.184 nan 8.190 nan 0.000 0.461 46 C N 3.886 123.208 119.300 0.037 0.000 2.700 46 C HA 0.352 4.812 4.460 -0.000 0.000 0.397 46 C C 0.217 175.218 174.990 0.019 0.000 1.301 46 C CA -0.812 58.222 59.018 0.026 0.000 2.219 46 C CB 0.902 28.667 27.740 0.042 0.000 2.699 46 C HN 0.598 nan 8.230 nan 0.000 0.669 47 P HA -0.059 nan 4.420 nan 0.000 0.225 47 P C 0.633 177.943 177.300 0.015 0.000 1.156 47 P CA 1.316 64.421 63.100 0.008 0.000 0.787 47 P CB -0.133 31.569 31.700 0.003 0.000 0.802 48 E N 0.462 120.675 120.200 0.021 0.000 2.902 48 E HA -0.003 4.347 4.350 -0.000 0.000 0.231 48 E C 1.152 177.770 176.600 0.029 0.000 1.422 48 E CA 0.710 57.125 56.400 0.024 0.000 1.418 48 E CB -1.265 28.451 29.700 0.026 0.000 1.323 48 E HN 0.495 nan 8.360 nan 0.000 0.428 49 C N -3.877 115.439 119.300 0.028 0.000 5.877 49 C HA 0.180 4.640 4.460 -0.000 0.000 0.328 49 C C 0.785 175.796 174.990 0.034 0.000 2.433 49 C CA -0.238 58.799 59.018 0.032 0.000 2.193 49 C CB -0.956 26.808 27.740 0.041 0.000 3.235 49 C HN 0.839 nan 8.230 nan 0.000 0.263 50 G N -0.679 108.153 108.800 0.052 0.000 2.339 50 G HA2 0.490 4.450 3.960 -0.000 0.000 0.381 50 G HA3 0.490 4.450 3.960 -0.000 0.000 0.381 50 G C -1.160 173.800 174.900 0.100 0.000 1.400 50 G CA -0.058 45.078 45.100 0.060 0.000 1.002 50 G HN 1.747 nan 8.290 nan 0.000 0.633 51 Y N 0.272 120.472 120.300 -0.166 0.000 2.607 51 Y HA 0.328 4.878 4.550 0.000 0.000 0.348 51 Y C 1.449 177.142 175.900 -0.345 0.000 1.261 51 Y CA 0.251 58.126 58.100 -0.376 0.000 1.480 51 Y CB 0.083 38.255 38.460 -0.481 0.000 1.358 51 Y HN 0.553 nan 8.280 nan 0.000 0.630 52 Y N -0.031 120.295 120.300 0.043 0.000 2.605 52 Y HA 0.383 4.933 4.550 -0.000 0.000 0.336 52 Y C 0.762 176.691 175.900 0.047 0.000 1.111 52 Y CA -1.225 56.882 58.100 0.012 0.000 1.422 52 Y CB -0.625 37.803 38.460 -0.053 0.000 1.193 52 Y HN 0.699 nan 8.280 nan 0.000 0.526 53 A N 2.310 125.202 122.820 0.120 0.000 2.869 53 A HA -0.011 4.309 4.320 -0.000 0.000 0.280 53 A C 0.517 178.130 177.584 0.048 0.000 1.458 53 A CA 0.819 52.911 52.037 0.091 0.000 0.776 53 A CB -1.888 17.191 19.000 0.131 0.000 1.028 53 A HN 1.894 nan 8.150 nan 0.000 0.547 54 G N -0.934 107.876 108.800 0.015 0.000 2.723 54 G HA2 0.624 4.584 3.960 -0.000 0.000 0.295 54 G HA3 0.624 4.584 3.960 -0.000 0.000 0.295 54 G C -0.326 174.563 174.900 -0.019 0.000 1.464 54 G CA -0.172 44.925 45.100 -0.006 0.000 1.012 54 G HN 1.117 nan 8.290 nan 0.000 0.522 55 R N 1.446 121.930 120.500 -0.028 0.000 2.466 55 R HA -0.111 4.229 4.340 -0.000 0.000 0.272 55 R C 0.469 176.746 176.300 -0.038 0.000 0.924 55 R CA 0.972 57.054 56.100 -0.030 0.000 1.107 55 R CB -0.026 30.251 30.300 -0.039 0.000 0.853 55 R HN 0.697 nan 8.270 nan 0.000 0.430 56 K N 2.746 123.132 120.400 -0.022 0.000 3.513 56 K HA 0.239 4.559 4.320 -0.000 0.000 0.164 56 K C -0.212 176.381 176.600 -0.010 0.000 1.041 56 K CA -0.157 56.120 56.287 -0.018 0.000 0.761 56 K CB -0.395 32.103 32.500 -0.003 0.000 0.811 56 K HN 0.346 nan 8.250 nan 0.000 0.510 57 V N -1.070 118.836 119.914 -0.014 0.000 0.690 57 V HA -0.402 3.718 4.120 -0.000 0.000 0.092 57 V C 0.310 176.401 176.094 -0.004 0.000 0.788 57 V CA 1.190 63.484 62.300 -0.009 0.000 3.100 57 V CB -1.228 30.591 31.823 -0.007 0.000 0.194 57 V HN 0.403 nan 8.190 nan 0.000 0.098 58 L N 1.726 122.948 121.223 -0.001 0.000 2.365 58 L HA 0.791 5.131 4.340 -0.000 0.000 0.267 58 L C 0.017 176.889 176.870 0.004 0.000 1.033 58 L CA 0.693 55.533 54.840 0.001 0.000 0.802 58 L CB 1.176 43.236 42.059 0.001 0.000 1.267 58 L HN 0.972 nan 8.230 nan 0.000 0.457 59 E N -0.587 119.616 120.200 0.006 0.000 2.670 59 E HA 0.544 4.894 4.350 -0.000 0.000 0.349 59 E C -1.905 174.700 176.600 0.008 0.000 0.918 59 E CA -0.497 55.909 56.400 0.009 0.000 0.774 59 E CB 0.639 30.346 29.700 0.012 0.000 1.409 59 E HN 0.190 nan 8.360 nan 0.000 0.397 60 V N 0.000 119.919 119.914 0.008 0.000 0.000 60 V HA 0.000 4.120 4.120 -0.000 0.000 0.000 60 V CA 0.000 62.304 62.300 0.007 0.000 0.000 60 V CB 0.000 31.826 31.823 0.006 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000