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 2wdi_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 0.000 177.589 177.584 0.009 0.000 1.274 2 A CA 0.000 52.042 52.037 0.009 0.000 0.836 2 A CB 0.000 19.002 19.000 0.003 0.000 0.831 3 K N -1.178 119.235 120.400 0.023 0.000 1.874 3 K HA 0.537 4.857 4.320 0.000 0.000 0.255 3 K C 1.018 177.665 176.600 0.078 0.000 0.748 3 K CA -0.143 56.160 56.287 0.028 0.000 0.571 3 K CB -0.233 32.285 32.500 0.031 0.000 1.921 3 K HN 0.305 nan 8.250 nan 0.000 0.615 4 H N 0.328 119.399 119.070 0.002 0.000 2.780 4 H HA 0.046 4.602 4.556 -0.000 0.000 0.301 4 H C -1.260 174.069 175.328 0.002 0.000 1.020 4 H CA 0.846 56.896 56.048 0.002 0.000 1.110 4 H CB -0.498 29.265 29.762 0.002 0.000 1.504 4 H HN 0.329 nan 8.280 nan 0.000 0.728 5 P HA 0.125 nan 4.420 nan 0.000 0.275 5 P C -1.244 176.080 177.300 0.041 0.000 1.227 5 P CA 0.196 63.314 63.100 0.029 0.000 0.781 5 P CB 1.941 33.634 31.700 -0.011 0.000 0.906 6 V N 3.562 123.492 119.914 0.027 0.000 3.048 6 V HA 0.351 4.471 4.120 0.000 0.000 0.303 6 V C -2.460 173.643 176.094 0.015 0.000 1.214 6 V CA -1.800 60.515 62.300 0.024 0.000 0.984 6 V CB 1.944 33.785 31.823 0.030 0.000 1.054 6 V HN 0.607 nan 8.190 nan 0.000 0.430 7 P HA 0.110 nan 4.420 nan 0.000 0.261 7 P C -0.024 177.281 177.300 0.008 0.000 1.183 7 P CA 0.069 63.174 63.100 0.008 0.000 0.761 7 P CB 0.754 32.459 31.700 0.008 0.000 0.785 8 K N 2.367 122.770 120.400 0.006 0.000 2.228 8 K HA 0.003 4.323 4.320 0.000 0.000 0.202 8 K C 0.580 177.183 176.600 0.004 0.000 1.051 8 K CA 1.259 57.549 56.287 0.005 0.000 0.960 8 K CB 0.284 32.786 32.500 0.003 0.000 0.743 8 K HN 0.297 nan 8.250 nan 0.000 0.458 9 K N 0.183 120.585 120.400 0.004 0.000 2.536 9 K HA 0.168 4.488 4.320 0.000 0.000 0.269 9 K C -1.424 175.177 176.600 0.002 0.000 0.965 9 K CA -0.816 55.472 56.287 0.002 0.000 0.860 9 K CB 1.680 34.181 32.500 0.002 0.000 1.423 9 K HN -0.080 nan 8.250 nan 0.000 0.438 10 K N 1.420 121.820 120.400 0.001 0.000 2.368 10 K HA 0.111 4.431 4.320 0.000 0.000 0.282 10 K C -0.619 175.980 176.600 -0.002 0.000 1.035 10 K CA 0.113 56.400 56.287 -0.000 0.000 0.973 10 K CB 0.397 32.896 32.500 -0.001 0.000 0.957 10 K HN 0.472 nan 8.250 nan 0.000 0.474 11 T N 2.832 117.385 114.554 -0.002 0.000 2.817 11 T HA -0.002 4.348 4.350 0.000 0.000 0.295 11 T C 0.341 175.037 174.700 -0.007 0.000 0.958 11 T CA -0.411 61.687 62.100 -0.004 0.000 1.157 11 T CB 0.469 69.334 68.868 -0.005 0.000 0.898 11 T HN 0.697 nan 8.240 nan 0.000 0.536 12 S N 3.198 118.895 115.700 -0.006 0.000 2.559 12 S HA 0.037 4.507 4.470 0.000 0.000 0.282 12 S C 1.299 175.892 174.600 -0.012 0.000 1.336 12 S CA -0.593 57.602 58.200 -0.008 0.000 1.037 12 S CB 0.606 63.801 63.200 -0.007 0.000 0.853 12 S HN 0.709 nan 8.310 nan 0.000 0.523 13 K N 1.867 122.259 120.400 -0.013 0.000 2.160 13 K HA -0.170 4.150 4.320 0.000 0.000 0.206 13 K C 2.378 178.966 176.600 -0.021 0.000 1.047 13 K CA 1.430 57.706 56.287 -0.018 0.000 0.930 13 K CB -0.730 31.760 32.500 -0.016 0.000 0.720 13 K HN 0.736 nan 8.250 nan 0.000 0.450 14 A N 1.895 124.705 122.820 -0.017 0.000 1.828 14 A HA -0.189 4.131 4.320 0.000 0.000 0.215 14 A C 2.144 179.716 177.584 -0.019 0.000 1.203 14 A CA 1.510 53.536 52.037 -0.018 0.000 0.614 14 A CB -0.639 18.354 19.000 -0.013 0.000 0.844 14 A HN 0.231 nan 8.150 nan 0.000 0.445 15 R N -0.257 120.235 120.500 -0.014 0.000 2.200 15 R HA -0.189 4.151 4.340 0.000 0.000 0.234 15 R C 2.363 178.653 176.300 -0.016 0.000 1.127 15 R CA 1.656 57.750 56.100 -0.010 0.000 0.989 15 R CB -0.249 30.049 30.300 -0.003 0.000 0.869 15 R HN 0.638 nan 8.270 nan 0.000 0.459 16 R N 0.359 120.845 120.500 -0.023 0.000 2.061 16 R HA -0.126 4.214 4.340 0.000 0.000 0.230 16 R C 1.385 177.652 176.300 -0.056 0.000 1.140 16 R CA 2.087 58.166 56.100 -0.035 0.000 0.940 16 R CB -0.260 30.019 30.300 -0.036 0.000 0.839 16 R HN 0.196 nan 8.270 nan 0.000 0.429 17 D N 0.457 120.823 120.400 -0.056 0.000 2.178 17 D HA -0.095 4.545 4.640 0.000 0.000 0.202 17 D C 1.819 178.077 176.300 -0.070 0.000 0.974 17 D CA 1.301 55.258 54.000 -0.072 0.000 0.841 17 D CB -0.177 40.589 40.800 -0.057 0.000 0.953 17 D HN 0.459 nan 8.370 nan 0.000 0.478 18 A N 1.694 124.484 122.820 -0.051 0.000 1.892 18 A HA -0.258 4.062 4.320 0.000 0.000 0.218 18 A C 2.203 179.755 177.584 -0.054 0.000 1.188 18 A CA 2.078 54.085 52.037 -0.050 0.000 0.631 18 A CB -0.716 18.268 19.000 -0.027 0.000 0.822 18 A HN 0.236 nan 8.150 nan 0.000 0.447 19 R N -0.128 120.360 120.500 -0.020 0.000 2.127 19 R HA -0.116 4.224 4.340 0.000 0.000 0.238 19 R C 1.778 178.114 176.300 0.060 0.000 1.134 19 R CA 1.676 57.796 56.100 0.034 0.000 0.975 19 R CB -0.268 30.057 30.300 0.043 0.000 0.865 19 R HN 0.522 nan 8.270 nan 0.000 0.447 20 R N 0.631 121.100 120.500 -0.052 0.000 2.313 20 R HA 0.023 4.363 4.340 0.000 0.000 0.199 20 R C 2.170 178.501 176.300 0.053 0.000 0.958 20 R CA 0.664 56.706 56.100 -0.097 0.000 1.047 20 R CB 0.106 30.161 30.300 -0.409 0.000 0.955 20 R HN 0.390 nan 8.270 nan 0.000 0.481 21 S N 1.240 116.876 115.700 -0.106 0.000 2.368 21 S HA -0.237 4.233 4.470 0.000 0.000 0.226 21 S C 1.476 175.986 174.600 -0.151 0.000 1.044 21 S CA 1.158 59.235 58.200 -0.206 0.000 1.062 21 S CB -0.576 62.382 63.200 -0.403 0.000 0.931 21 S HN 0.435 nan 8.310 nan 0.000 0.440 22 H N 0.192 119.333 119.070 0.118 0.000 2.566 22 H HA 0.117 4.673 4.556 0.000 0.000 0.277 22 H C 1.060 176.394 175.328 0.010 0.000 1.046 22 H CA 0.993 57.073 56.048 0.052 0.000 1.172 22 H CB -0.578 29.189 29.762 0.008 0.000 1.319 22 H HN 0.640 nan 8.280 nan 0.000 0.621 23 H N 0.370 119.469 119.070 0.048 0.000 2.544 23 H HA 0.289 4.845 4.556 0.000 0.000 0.269 23 H C 1.111 176.454 175.328 0.025 0.000 0.970 23 H CA 0.458 56.528 56.048 0.036 0.000 1.219 23 H CB 0.393 30.165 29.762 0.015 0.000 1.421 23 H HN 0.313 nan 8.280 nan 0.000 0.555 24 A N 1.309 124.198 122.820 0.116 0.000 2.546 24 A HA 0.144 4.464 4.320 0.000 0.000 0.243 24 A C 0.205 177.816 177.584 0.045 0.000 1.063 24 A CA -0.141 51.936 52.037 0.068 0.000 0.757 24 A CB -0.365 18.663 19.000 0.047 0.000 0.991 24 A HN 0.338 nan 8.150 nan 0.000 0.503 25 L N 1.699 122.944 121.223 0.037 0.000 2.476 25 L HA 0.329 4.669 4.340 0.000 0.000 0.264 25 L C 1.176 178.058 176.870 0.020 0.000 1.224 25 L CA 0.171 55.025 54.840 0.024 0.000 0.821 25 L CB 0.483 42.555 42.059 0.022 0.000 1.101 25 L HN 0.837 nan 8.230 nan 0.000 0.488 26 T N -1.049 113.514 114.554 0.015 0.000 2.791 26 T HA 0.493 4.843 4.350 0.000 0.000 0.288 26 T C -2.131 172.576 174.700 0.012 0.000 0.999 26 T CA -1.745 60.364 62.100 0.014 0.000 0.952 26 T CB 1.019 69.894 68.868 0.012 0.000 0.938 26 T HN 0.413 nan 8.240 nan 0.000 0.444 27 P HA 0.161 nan 4.420 nan 0.000 0.264 27 P C -2.084 175.222 177.300 0.010 0.000 1.179 27 P CA -0.753 62.353 63.100 0.010 0.000 0.763 27 P CB -0.257 31.448 31.700 0.010 0.000 0.806 28 P HA 0.039 nan 4.420 nan 0.000 0.271 28 P C -0.279 177.028 177.300 0.011 0.000 1.233 28 P CA 0.048 63.154 63.100 0.009 0.000 0.789 28 P CB 0.253 31.957 31.700 0.007 0.000 0.951 29 T N -0.315 114.247 114.554 0.015 0.000 2.772 29 T HA 0.645 4.995 4.350 0.000 0.000 0.288 29 T C -0.201 174.508 174.700 0.014 0.000 0.994 29 T CA -0.694 61.416 62.100 0.017 0.000 0.951 29 T CB -0.089 68.795 68.868 0.026 0.000 0.933 29 T HN 0.228 nan 8.240 nan 0.000 0.447 30 L N 3.275 124.503 121.223 0.007 0.000 2.279 30 L HA 0.930 5.270 4.340 0.000 0.000 0.262 30 L C -0.359 176.509 176.870 -0.003 0.000 1.019 30 L CA -1.616 53.224 54.840 -0.001 0.000 0.823 30 L CB 2.305 44.361 42.059 -0.005 0.000 1.358 30 L HN 0.703 nan 8.230 nan 0.000 0.432 31 V N -2.610 117.297 119.914 -0.011 0.000 3.049 31 V HA 0.474 4.594 4.120 0.000 0.000 0.309 31 V C -2.458 173.628 176.094 -0.013 0.000 1.148 31 V CA -1.539 60.754 62.300 -0.012 0.000 0.990 31 V CB 1.551 33.363 31.823 -0.019 0.000 1.039 31 V HN 0.468 nan 8.190 nan 0.000 0.430 32 P HA -0.200 nan 4.420 nan 0.000 0.219 32 P C 0.579 177.874 177.300 -0.008 0.000 1.159 32 P CA 2.755 65.852 63.100 -0.005 0.000 0.944 32 P CB -0.038 31.663 31.700 0.001 0.000 0.792 33 C N -4.677 114.620 119.300 -0.006 0.000 0.170 33 C HA -0.049 4.411 4.460 0.000 0.000 0.017 33 C C -1.838 173.161 174.990 0.015 0.000 0.171 33 C CA -0.877 58.136 59.018 -0.008 0.000 0.501 33 C CB -1.908 25.817 27.740 -0.027 0.000 3.212 33 C HN 0.183 nan 8.230 nan 0.000 1.118 34 P HA -0.084 nan 4.420 nan 0.000 0.216 34 P C 0.483 177.814 177.300 0.053 0.000 1.057 34 P CA 1.309 64.456 63.100 0.078 0.000 0.932 34 P CB 0.079 31.873 31.700 0.157 0.000 0.567 35 E N -0.471 119.765 120.200 0.060 0.000 3.057 35 E HA 0.110 4.460 4.350 0.000 0.000 0.314 35 E C 0.087 176.697 176.600 0.018 0.000 1.433 35 E CA 0.370 56.794 56.400 0.041 0.000 1.546 35 E CB -1.172 28.557 29.700 0.048 0.000 1.224 35 E HN 0.183 nan 8.360 nan 0.000 0.483 36 C N 0.114 119.422 119.300 0.012 0.000 2.959 36 C HA 0.129 4.589 4.460 0.000 0.000 0.327 36 C C 0.676 175.666 174.990 0.001 0.000 1.315 36 C CA -0.513 58.506 59.018 0.002 0.000 1.216 36 C CB 0.519 28.254 27.740 -0.008 0.000 1.343 36 C HN 0.621 nan 8.230 nan 0.000 0.454 37 K N 2.128 122.526 120.400 -0.003 0.000 2.262 37 K HA 0.636 4.956 4.320 0.000 0.000 0.200 37 K C 0.792 177.387 176.600 -0.007 0.000 1.058 37 K CA 0.999 57.285 56.287 -0.003 0.000 0.974 37 K CB -0.329 32.170 32.500 -0.002 0.000 0.910 37 K HN 1.365 nan 8.250 nan 0.000 0.484 38 A N 2.356 125.170 122.820 -0.010 0.000 2.584 38 A HA 0.100 4.420 4.320 0.000 0.000 0.239 38 A C 0.129 177.702 177.584 -0.018 0.000 1.043 38 A CA 0.119 52.148 52.037 -0.014 0.000 0.756 38 A CB -0.384 18.606 19.000 -0.017 0.000 0.963 38 A HN 0.427 nan 8.150 nan 0.000 0.511 39 M N 1.692 121.282 119.600 -0.017 0.000 2.197 39 M HA 0.474 4.954 4.480 0.000 0.000 0.305 39 M C 0.193 176.476 176.300 -0.029 0.000 1.162 39 M CA 0.015 55.303 55.300 -0.020 0.000 1.099 39 M CB 1.010 33.602 32.600 -0.014 0.000 1.430 39 M HN 0.874 nan 8.290 nan 0.000 0.481 40 K N -0.007 120.373 120.400 -0.033 0.000 2.642 40 K HA 0.547 4.867 4.320 0.000 0.000 0.290 40 K C -3.187 173.391 176.600 -0.036 0.000 1.006 40 K CA -1.372 54.890 56.287 -0.042 0.000 0.869 40 K CB 0.195 32.655 32.500 -0.067 0.000 1.499 40 K HN 0.194 nan 8.250 nan 0.000 0.403 41 P HA 0.191 nan 4.420 nan 0.000 0.276 41 P C -2.350 174.942 177.300 -0.013 0.000 1.230 41 P CA -1.190 61.904 63.100 -0.010 0.000 0.776 41 P CB 0.195 31.896 31.700 0.002 0.000 0.888 42 P HA -0.076 nan 4.420 nan 0.000 0.265 42 P C 0.209 177.545 177.300 0.060 0.000 1.193 42 P CA 0.903 63.975 63.100 -0.046 0.000 0.765 42 P CB -0.056 31.628 31.700 -0.026 0.000 0.823 43 H N -1.735 117.378 119.070 0.072 0.000 3.151 43 H HA -0.102 4.454 4.556 0.000 0.000 0.230 43 H C 0.635 176.000 175.328 0.062 0.000 1.186 43 H CA 1.315 57.440 56.048 0.129 0.000 1.124 43 H CB -2.242 27.578 29.762 0.096 0.000 1.208 43 H HN 0.657 nan 8.280 nan 0.000 0.318 44 T N -2.804 111.744 114.554 -0.011 0.000 2.919 44 T HA 0.673 5.023 4.350 0.000 0.000 0.282 44 T C 0.378 174.850 174.700 -0.380 0.000 1.020 44 T CA -0.676 61.358 62.100 -0.111 0.000 0.994 44 T CB 2.828 71.653 68.868 -0.071 0.000 1.180 44 T HN -0.015 nan 8.240 nan 0.000 0.566 45 V N 1.246 120.975 119.914 -0.307 0.000 2.328 45 V HA 0.291 4.411 4.120 0.000 0.000 0.278 45 V C 0.898 176.844 176.094 -0.245 0.000 1.021 45 V CA -1.082 60.983 62.300 -0.391 0.000 0.838 45 V CB 0.388 32.065 31.823 -0.244 0.000 0.999 45 V HN 1.250 nan 8.190 nan 0.000 0.447 46 C N 9.559 128.706 119.300 -0.256 0.000 2.431 46 C HA 0.050 4.510 4.460 0.000 0.000 0.397 46 C C 0.011 174.935 174.990 -0.110 0.000 1.436 46 C CA -0.557 58.369 59.018 -0.153 0.000 1.596 46 C CB 0.300 27.960 27.740 -0.133 0.000 2.550 46 C HN 0.822 nan 8.230 nan 0.000 0.596 47 P HA -0.053 nan 4.420 nan 0.000 0.242 47 P C 0.139 177.411 177.300 -0.046 0.000 1.198 47 P CA 1.556 64.622 63.100 -0.056 0.000 0.756 47 P CB 0.089 31.763 31.700 -0.043 0.000 0.911 48 E N -3.494 116.675 120.200 -0.051 0.000 2.552 48 E HA 0.063 4.413 4.350 0.000 0.000 0.189 48 E C 1.274 177.851 176.600 -0.039 0.000 0.970 48 E CA 0.046 56.424 56.400 -0.038 0.000 1.571 48 E CB -1.051 28.632 29.700 -0.028 0.000 2.223 48 E HN 0.056 nan 8.360 nan 0.000 1.018 49 C N 1.214 120.482 119.300 -0.053 0.000 2.568 49 C HA 0.668 5.128 4.460 0.000 0.000 0.284 49 C C 1.379 176.330 174.990 -0.066 0.000 1.338 49 C CA 0.619 59.607 59.018 -0.050 0.000 1.724 49 C CB -0.722 26.988 27.740 -0.051 0.000 2.131 49 C HN 0.659 nan 8.230 nan 0.000 0.513 50 G N 0.159 108.888 108.800 -0.117 0.000 2.892 50 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 50 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 50 G C -0.608 174.205 174.900 -0.146 0.000 1.244 50 G CA -0.572 44.441 45.100 -0.145 0.000 0.947 50 G HN 0.362 nan 8.290 nan 0.000 0.584 51 Y N 0.178 120.327 120.300 -0.251 0.000 2.945 51 Y HA 0.201 4.751 4.550 -0.000 0.000 0.350 51 Y C 1.796 177.405 175.900 -0.485 0.000 1.279 51 Y CA 1.134 58.906 58.100 -0.546 0.000 1.475 51 Y CB -0.064 37.965 38.460 -0.718 0.000 1.330 51 Y HN 0.714 nan 8.280 nan 0.000 0.661 52 Y N -0.628 119.802 120.300 0.217 0.000 2.578 52 Y HA 0.345 4.895 4.550 -0.000 0.000 0.339 52 Y C 0.921 176.862 175.900 0.069 0.000 1.231 52 Y CA -1.641 56.517 58.100 0.097 0.000 1.461 52 Y CB -0.494 38.003 38.460 0.062 0.000 1.323 52 Y HN 0.727 nan 8.280 nan 0.000 0.590 53 A N 1.005 123.940 122.820 0.192 0.000 2.771 53 A HA -0.066 4.254 4.320 0.000 0.000 0.294 53 A C 0.597 178.224 177.584 0.071 0.000 1.500 53 A CA 1.205 53.319 52.037 0.128 0.000 0.829 53 A CB -2.034 17.064 19.000 0.162 0.000 0.998 53 A HN 1.825 nan 8.150 nan 0.000 0.526 54 G N -1.902 106.919 108.800 0.035 0.000 2.730 54 G HA2 0.623 4.583 3.960 0.000 0.000 0.289 54 G HA3 0.623 4.583 3.960 0.000 0.000 0.289 54 G C -0.612 174.294 174.900 0.011 0.000 1.341 54 G CA -0.647 44.462 45.100 0.016 0.000 0.932 54 G HN 0.663 nan 8.290 nan 0.000 0.481 55 R N 0.521 121.026 120.500 0.007 0.000 2.298 55 R HA 0.396 4.736 4.340 0.000 0.000 0.310 55 R C 0.552 176.840 176.300 -0.019 0.000 1.068 55 R CA -0.332 55.767 56.100 -0.002 0.000 0.957 55 R CB 0.509 30.810 30.300 0.001 0.000 1.003 55 R HN 0.589 nan 8.270 nan 0.000 0.454 56 K N 3.211 123.600 120.400 -0.018 0.000 2.246 56 K HA 0.337 4.657 4.320 0.000 0.000 0.239 56 K C 0.398 176.986 176.600 -0.020 0.000 1.089 56 K CA -0.350 55.920 56.287 -0.027 0.000 0.892 56 K CB -0.172 32.313 32.500 -0.024 0.000 1.334 56 K HN 0.252 nan 8.250 nan 0.000 0.507 57 V N -1.182 118.719 119.914 -0.022 0.000 2.188 57 V HA 0.140 4.260 4.120 0.000 0.000 0.155 57 V C 1.048 177.136 176.094 -0.010 0.000 0.838 57 V CA 0.270 62.560 62.300 -0.016 0.000 1.237 57 V CB -0.960 30.853 31.823 -0.017 0.000 0.748 57 V HN 0.547 nan 8.190 nan 0.000 0.446 58 L N 0.684 121.902 121.223 -0.008 0.000 2.362 58 L HA 0.751 5.091 4.340 0.000 0.000 0.271 58 L C -0.525 176.343 176.870 -0.003 0.000 1.002 58 L CA -0.548 54.289 54.840 -0.005 0.000 0.818 58 L CB 1.813 43.869 42.059 -0.004 0.000 1.298 58 L HN 0.592 nan 8.230 nan 0.000 0.420 59 E N 1.299 121.498 120.200 -0.001 0.000 2.446 59 E HA 0.716 5.066 4.350 0.000 0.000 0.269 59 E C -1.136 175.465 176.600 0.002 0.000 0.977 59 E CA -0.662 55.738 56.400 0.001 0.000 0.854 59 E CB 2.574 32.276 29.700 0.003 0.000 1.545 59 E HN 0.215 nan 8.360 nan 0.000 0.448 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 62.302 62.300 0.003 0.000 0.000 60 V CB 0.000 31.824 31.823 0.002 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000