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 2wdn_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 0.000 177.586 177.584 0.004 0.000 1.274 2 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 K N -1.597 118.813 120.400 0.017 0.000 2.228 3 K HA 0.595 4.915 4.320 0.000 0.000 0.261 3 K C 0.919 177.561 176.600 0.070 0.000 0.941 3 K CA -0.320 55.977 56.287 0.018 0.000 0.792 3 K CB -0.093 32.421 32.500 0.023 0.000 1.495 3 K HN 0.246 nan 8.250 nan 0.000 0.387 4 H N 0.217 119.288 119.070 0.002 0.000 2.760 4 H HA -0.149 4.407 4.556 -0.000 0.000 0.231 4 H C -1.273 174.056 175.328 0.003 0.000 1.018 4 H CA 1.846 57.896 56.048 0.002 0.000 1.430 4 H CB -0.605 29.159 29.762 0.002 0.000 1.930 4 H HN 0.391 nan 8.280 nan 0.000 0.981 5 P HA 0.121 nan 4.420 nan 0.000 0.271 5 P C -1.176 176.154 177.300 0.050 0.000 1.216 5 P CA 0.302 63.432 63.100 0.051 0.000 0.771 5 P CB 1.602 33.304 31.700 0.003 0.000 0.864 6 V N 4.375 124.312 119.914 0.039 0.000 3.049 6 V HA 0.443 4.563 4.120 0.000 0.000 0.309 6 V C -2.306 173.800 176.094 0.021 0.000 1.148 6 V CA -1.896 60.422 62.300 0.030 0.000 0.990 6 V CB 1.998 33.840 31.823 0.032 0.000 1.039 6 V HN 0.614 nan 8.190 nan 0.000 0.430 7 P HA 0.258 nan 4.420 nan 0.000 0.268 7 P C -0.392 176.914 177.300 0.011 0.000 1.205 7 P CA -0.186 62.922 63.100 0.012 0.000 0.771 7 P CB 1.086 32.792 31.700 0.011 0.000 0.858 8 K N 1.231 121.636 120.400 0.009 0.000 2.323 8 K HA 0.098 4.418 4.320 0.000 0.000 0.197 8 K C 0.302 176.906 176.600 0.006 0.000 1.043 8 K CA 0.932 57.224 56.287 0.008 0.000 0.997 8 K CB 0.362 32.867 32.500 0.007 0.000 0.807 8 K HN 0.234 nan 8.250 nan 0.000 0.497 9 K N 0.710 121.114 120.400 0.006 0.000 2.523 9 K HA 0.133 4.453 4.320 0.000 0.000 0.257 9 K C -1.532 175.070 176.600 0.003 0.000 0.932 9 K CA -0.715 55.574 56.287 0.004 0.000 0.812 9 K CB 1.778 34.280 32.500 0.003 0.000 1.326 9 K HN -0.041 nan 8.250 nan 0.000 0.433 10 K N 1.928 122.329 120.400 0.002 0.000 2.419 10 K HA 0.057 4.377 4.320 0.000 0.000 0.282 10 K C -0.608 175.991 176.600 -0.001 0.000 1.056 10 K CA 0.352 56.639 56.287 0.000 0.000 1.035 10 K CB 0.202 32.702 32.500 -0.001 0.000 0.921 10 K HN 0.425 nan 8.250 nan 0.000 0.472 11 T N 3.777 118.330 114.554 -0.001 0.000 2.778 11 T HA -0.056 4.294 4.350 0.000 0.000 0.282 11 T C 0.269 174.965 174.700 -0.007 0.000 0.983 11 T CA 0.115 62.213 62.100 -0.003 0.000 1.193 11 T CB -0.050 68.816 68.868 -0.004 0.000 0.938 11 T HN 0.754 nan 8.240 nan 0.000 0.523 12 S N 3.629 119.325 115.700 -0.007 0.000 2.542 12 S HA -0.031 4.439 4.470 0.000 0.000 0.287 12 S C 1.351 175.943 174.600 -0.013 0.000 1.315 12 S CA -0.401 57.794 58.200 -0.009 0.000 1.037 12 S CB 0.654 63.849 63.200 -0.008 0.000 0.822 12 S HN 0.714 nan 8.310 nan 0.000 0.513 13 K N 2.022 122.414 120.400 -0.014 0.000 2.063 13 K HA -0.151 4.169 4.320 0.000 0.000 0.208 13 K C 2.492 179.078 176.600 -0.023 0.000 1.048 13 K CA 1.373 57.649 56.287 -0.019 0.000 0.928 13 K CB -0.796 31.693 32.500 -0.018 0.000 0.713 13 K HN 0.728 nan 8.250 nan 0.000 0.442 14 A N 2.005 124.814 122.820 -0.020 0.000 1.837 14 A HA -0.249 4.071 4.320 0.000 0.000 0.216 14 A C 2.141 179.710 177.584 -0.025 0.000 1.210 14 A CA 1.913 53.937 52.037 -0.022 0.000 0.632 14 A CB -0.785 18.205 19.000 -0.016 0.000 0.843 14 A HN 0.265 nan 8.150 nan 0.000 0.448 15 R N -0.348 120.141 120.500 -0.018 0.000 2.211 15 R HA -0.193 4.147 4.340 0.000 0.000 0.240 15 R C 2.375 178.661 176.300 -0.024 0.000 1.144 15 R CA 1.642 57.732 56.100 -0.017 0.000 0.992 15 R CB -0.249 30.047 30.300 -0.008 0.000 0.869 15 R HN 0.670 nan 8.270 nan 0.000 0.462 16 R N 0.349 120.831 120.500 -0.029 0.000 2.061 16 R HA -0.133 4.207 4.340 0.000 0.000 0.230 16 R C 1.312 177.571 176.300 -0.069 0.000 1.140 16 R CA 2.092 58.167 56.100 -0.041 0.000 0.940 16 R CB -0.253 30.023 30.300 -0.039 0.000 0.839 16 R HN 0.201 nan 8.270 nan 0.000 0.429 17 D N 0.601 120.960 120.400 -0.068 0.000 2.117 17 D HA -0.123 4.517 4.640 0.000 0.000 0.197 17 D C 1.858 178.102 176.300 -0.093 0.000 0.987 17 D CA 1.481 55.427 54.000 -0.090 0.000 0.829 17 D CB -0.289 40.471 40.800 -0.068 0.000 0.961 17 D HN 0.465 nan 8.370 nan 0.000 0.460 18 A N 1.390 124.170 122.820 -0.067 0.000 1.986 18 A HA -0.250 4.070 4.320 0.000 0.000 0.220 18 A C 2.174 179.716 177.584 -0.070 0.000 1.171 18 A CA 1.922 53.919 52.037 -0.066 0.000 0.640 18 A CB -0.619 18.357 19.000 -0.039 0.000 0.811 18 A HN 0.219 nan 8.150 nan 0.000 0.451 19 R N -0.260 120.210 120.500 -0.049 0.000 2.115 19 R HA -0.024 4.316 4.340 0.000 0.000 0.226 19 R C 1.806 178.103 176.300 -0.004 0.000 1.100 19 R CA 1.269 57.370 56.100 0.001 0.000 0.980 19 R CB -0.237 30.071 30.300 0.014 0.000 0.875 19 R HN 0.467 nan 8.270 nan 0.000 0.445 20 R N 0.395 120.793 120.500 -0.171 0.000 2.323 20 R HA 0.021 4.361 4.340 0.000 0.000 0.198 20 R C 2.029 178.285 176.300 -0.073 0.000 0.988 20 R CA 0.606 56.483 56.100 -0.372 0.000 1.041 20 R CB -0.030 29.972 30.300 -0.497 0.000 0.926 20 R HN 0.230 nan 8.270 nan 0.000 0.476 21 S N 1.086 116.704 115.700 -0.136 0.000 2.378 21 S HA -0.221 4.249 4.470 0.000 0.000 0.229 21 S C 1.464 175.938 174.600 -0.210 0.000 1.052 21 S CA 1.334 59.381 58.200 -0.255 0.000 1.084 21 S CB -0.159 62.745 63.200 -0.493 0.000 0.950 21 S HN 0.482 nan 8.310 nan 0.000 0.440 22 H N -0.777 118.388 119.070 0.158 0.000 2.543 22 H HA 0.151 4.707 4.556 0.000 0.000 0.269 22 H C 0.832 176.227 175.328 0.113 0.000 1.005 22 H CA 0.584 56.701 56.048 0.114 0.000 1.146 22 H CB -0.421 29.375 29.762 0.056 0.000 1.353 22 H HN 0.582 nan 8.280 nan 0.000 0.595 23 H N 0.503 119.609 119.070 0.060 0.000 2.543 23 H HA 0.263 4.819 4.556 0.000 0.000 0.269 23 H C 0.939 176.285 175.328 0.029 0.000 1.005 23 H CA 0.176 56.249 56.048 0.042 0.000 1.146 23 H CB 0.014 29.789 29.762 0.022 0.000 1.353 23 H HN 0.266 nan 8.280 nan 0.000 0.595 24 A N 1.291 124.188 122.820 0.130 0.000 2.553 24 A HA 0.055 4.375 4.320 0.000 0.000 0.258 24 A C 0.355 177.972 177.584 0.055 0.000 1.069 24 A CA -0.054 52.029 52.037 0.076 0.000 0.767 24 A CB -0.525 18.510 19.000 0.060 0.000 0.997 24 A HN 0.453 nan 8.150 nan 0.000 0.512 25 L N 3.400 124.650 121.223 0.045 0.000 2.380 25 L HA 0.353 4.693 4.340 0.000 0.000 0.273 25 L C 1.059 177.942 176.870 0.023 0.000 1.138 25 L CA -0.199 54.658 54.840 0.029 0.000 0.832 25 L CB 1.172 43.248 42.059 0.028 0.000 1.124 25 L HN 0.884 nan 8.230 nan 0.000 0.454 26 T N 1.935 116.499 114.554 0.017 0.000 2.867 26 T HA 0.561 4.911 4.350 0.000 0.000 0.282 26 T C -2.182 172.525 174.700 0.012 0.000 1.000 26 T CA -1.579 60.530 62.100 0.015 0.000 1.042 26 T CB 1.234 70.109 68.868 0.012 0.000 0.973 26 T HN 0.447 nan 8.240 nan 0.000 0.465 27 P HA 0.266 nan 4.420 nan 0.000 0.271 27 P C -2.319 174.986 177.300 0.009 0.000 1.216 27 P CA -1.091 62.015 63.100 0.010 0.000 0.776 27 P CB -0.385 31.320 31.700 0.009 0.000 0.881 28 P HA 0.007 nan 4.420 nan 0.000 0.266 28 P C 0.013 177.319 177.300 0.010 0.000 1.195 28 P CA 0.157 63.262 63.100 0.008 0.000 0.768 28 P CB 0.175 31.878 31.700 0.006 0.000 0.838 29 T N 2.212 116.775 114.554 0.014 0.000 2.761 29 T HA 0.521 4.871 4.350 0.000 0.000 0.296 29 T C -0.155 174.557 174.700 0.019 0.000 0.934 29 T CA -0.474 61.638 62.100 0.019 0.000 1.091 29 T CB -0.209 68.675 68.868 0.026 0.000 0.896 29 T HN 0.278 nan 8.240 nan 0.000 0.515 30 L N 3.841 125.072 121.223 0.015 0.000 2.350 30 L HA 0.876 5.216 4.340 0.000 0.000 0.260 30 L C -0.275 176.598 176.870 0.006 0.000 1.015 30 L CA -1.386 53.459 54.840 0.008 0.000 0.821 30 L CB 2.432 44.491 42.059 0.001 0.000 1.370 30 L HN 0.746 nan 8.230 nan 0.000 0.416 31 V N -1.534 118.378 119.914 -0.003 0.000 3.182 31 V HA 0.662 4.782 4.120 0.000 0.000 0.308 31 V C -2.874 173.211 176.094 -0.016 0.000 1.240 31 V CA -1.693 60.603 62.300 -0.007 0.000 1.063 31 V CB 1.735 33.552 31.823 -0.010 0.000 1.076 31 V HN 0.473 nan 8.190 nan 0.000 0.446 32 P HA 0.339 nan 4.420 nan 0.000 0.313 32 P C -0.544 176.739 177.300 -0.028 0.000 1.419 32 P CA 0.324 63.415 63.100 -0.016 0.000 0.842 32 P CB 0.215 31.911 31.700 -0.008 0.000 2.041 33 C N -1.758 117.530 119.300 -0.020 0.000 3.198 33 C HA 0.273 4.733 4.460 0.000 0.000 0.438 33 C C -1.927 173.064 174.990 0.002 0.000 0.952 33 C CA -0.930 58.071 59.018 -0.029 0.000 1.216 33 C CB -0.458 27.255 27.740 -0.046 0.000 1.594 33 C HN 0.364 nan 8.230 nan 0.000 0.598 34 P HA -0.133 nan 4.420 nan 0.000 0.207 34 P C -0.149 177.180 177.300 0.049 0.000 1.115 34 P CA 1.577 64.719 63.100 0.069 0.000 0.956 34 P CB 0.138 31.934 31.700 0.160 0.000 0.774 35 E N -0.375 119.856 120.200 0.052 0.000 2.052 35 E HA 0.309 4.659 4.350 0.000 0.000 0.283 35 E C -0.445 176.160 176.600 0.007 0.000 1.071 35 E CA 0.109 56.529 56.400 0.034 0.000 0.851 35 E CB -0.044 29.682 29.700 0.043 0.000 1.066 35 E HN 0.190 nan 8.360 nan 0.000 0.396 36 C N 1.637 120.939 119.300 0.003 0.000 1.963 36 C HA -0.075 4.385 4.460 0.000 0.000 0.215 36 C C 1.012 175.997 174.990 -0.007 0.000 0.986 36 C CA -0.847 58.167 59.018 -0.007 0.000 1.017 36 C CB 0.166 27.893 27.740 -0.021 0.000 1.610 36 C HN 0.915 nan 8.230 nan 0.000 0.645 37 K N 1.659 122.054 120.400 -0.009 0.000 2.426 37 K HA 0.517 4.837 4.320 0.000 0.000 0.193 37 K C 0.824 177.416 176.600 -0.013 0.000 1.028 37 K CA 0.906 57.188 56.287 -0.008 0.000 1.047 37 K CB 0.153 32.649 32.500 -0.006 0.000 0.821 37 K HN 1.368 nan 8.250 nan 0.000 0.513 38 A N 1.608 124.416 122.820 -0.019 0.000 2.655 38 A HA -0.069 4.251 4.320 0.000 0.000 0.226 38 A C 0.400 177.967 177.584 -0.028 0.000 1.081 38 A CA 0.562 52.583 52.037 -0.027 0.000 0.802 38 A CB -0.080 18.895 19.000 -0.041 0.000 0.973 38 A HN 0.426 nan 8.150 nan 0.000 0.501 39 M N 1.731 121.313 119.600 -0.029 0.000 3.062 39 M HA 0.171 4.651 4.480 0.000 0.000 0.270 39 M C -0.061 176.220 176.300 -0.032 0.000 1.270 39 M CA -0.016 55.269 55.300 -0.026 0.000 0.702 39 M CB -0.100 32.489 32.600 -0.017 0.000 1.398 39 M HN 0.707 nan 8.290 nan 0.000 0.490 40 K N 1.759 122.129 120.400 -0.049 0.000 2.230 40 K HA 0.341 4.661 4.320 0.000 0.000 0.253 40 K C -2.279 174.297 176.600 -0.040 0.000 1.008 40 K CA -1.192 55.060 56.287 -0.059 0.000 0.910 40 K CB 0.053 32.491 32.500 -0.103 0.000 0.994 40 K HN 0.164 nan 8.250 nan 0.000 0.495 41 P HA 0.193 nan 4.420 nan 0.000 0.282 41 P C -2.604 174.699 177.300 0.005 0.000 1.259 41 P CA -1.991 61.108 63.100 -0.000 0.000 0.826 41 P CB 0.470 32.176 31.700 0.010 0.000 1.064 42 P HA -0.086 nan 4.420 nan 0.000 0.268 42 P C 0.086 177.468 177.300 0.138 0.000 1.208 42 P CA 0.769 63.897 63.100 0.046 0.000 0.777 42 P CB -0.142 31.662 31.700 0.174 0.000 0.875 43 H N -1.678 117.408 119.070 0.027 0.000 2.826 43 H HA -0.095 4.461 4.556 0.000 0.000 0.306 43 H C 0.290 175.638 175.328 0.033 0.000 1.235 43 H CA 1.078 57.160 56.048 0.057 0.000 1.150 43 H CB -2.312 27.481 29.762 0.053 0.000 1.409 43 H HN 0.577 nan 8.280 nan 0.000 0.420 44 T N -2.499 112.055 114.554 0.000 0.000 2.544 44 T HA 0.791 5.141 4.350 0.000 0.000 0.244 44 T C 0.397 174.944 174.700 -0.255 0.000 0.829 44 T CA -0.163 61.907 62.100 -0.051 0.000 1.210 44 T CB 2.385 71.228 68.868 -0.042 0.000 1.487 44 T HN 0.076 nan 8.240 nan 0.000 0.488 45 V N -0.684 119.087 119.914 -0.239 0.000 3.264 45 V HA 0.744 4.864 4.120 0.000 0.000 0.294 45 V C -1.336 174.640 176.094 -0.196 0.000 1.429 45 V CA -1.039 61.048 62.300 -0.355 0.000 1.053 45 V CB 1.731 33.422 31.823 -0.221 0.000 1.128 45 V HN 1.348 nan 8.190 nan 0.000 0.452 46 C N 2.334 121.529 119.300 -0.176 0.000 3.199 46 C HA 0.524 4.984 4.460 0.000 0.000 0.392 46 C C -2.375 172.568 174.990 -0.078 0.000 1.050 46 C CA -0.714 58.242 59.018 -0.105 0.000 1.222 46 C CB 1.903 29.587 27.740 -0.093 0.000 1.595 46 C HN 0.851 nan 8.230 nan 0.000 0.560 47 P HA -0.187 nan 4.420 nan 0.000 0.173 47 P C 0.084 177.364 177.300 -0.033 0.000 1.151 47 P CA 1.794 64.872 63.100 -0.037 0.000 0.878 47 P CB -0.056 31.627 31.700 -0.029 0.000 1.313 48 E N -3.155 117.020 120.200 -0.042 0.000 4.124 48 E HA 0.042 4.392 4.350 0.000 0.000 0.177 48 E C 1.372 177.948 176.600 -0.039 0.000 1.238 48 E CA 0.151 56.531 56.400 -0.034 0.000 0.753 48 E CB -1.095 28.586 29.700 -0.032 0.000 2.870 48 E HN -0.019 nan 8.360 nan 0.000 0.580 49 C N 2.173 121.446 119.300 -0.044 0.000 2.343 49 C HA 0.101 4.561 4.460 0.000 0.000 0.324 49 C C 1.949 176.900 174.990 -0.066 0.000 1.423 49 C CA 0.063 59.054 59.018 -0.045 0.000 1.797 49 C CB -2.189 25.520 27.740 -0.051 0.000 1.719 49 C HN 0.786 nan 8.230 nan 0.000 0.582 50 G N 0.315 109.067 108.800 -0.081 0.000 2.699 50 G HA2 -0.297 3.663 3.960 0.000 0.000 0.351 50 G HA3 -0.297 3.663 3.960 0.000 0.000 0.351 50 G C -0.032 174.775 174.900 -0.154 0.000 1.191 50 G CA 1.570 46.619 45.100 -0.085 0.000 0.953 50 G HN 0.679 nan 8.290 nan 0.000 0.557 51 Y N -1.761 118.405 120.300 -0.223 0.000 2.958 51 Y HA 0.551 5.101 4.550 0.000 0.000 0.315 51 Y C -0.621 175.040 175.900 -0.399 0.000 1.541 51 Y CA -0.971 56.847 58.100 -0.470 0.000 1.087 51 Y CB 0.225 38.269 38.460 -0.694 0.000 1.593 51 Y HN 0.651 nan 8.280 nan 0.000 0.446 52 Y N 0.563 121.008 120.300 0.242 0.000 2.486 52 Y HA 0.506 5.056 4.550 -0.000 0.000 0.348 52 Y C 0.745 176.675 175.900 0.050 0.000 1.000 52 Y CA -1.079 57.078 58.100 0.095 0.000 1.253 52 Y CB -0.009 38.484 38.460 0.056 0.000 1.140 52 Y HN 0.703 nan 8.280 nan 0.000 0.526 53 A N 1.942 124.819 122.820 0.094 0.000 2.799 53 A HA -0.153 4.167 4.320 0.000 0.000 0.287 53 A C 0.916 178.500 177.584 0.001 0.000 1.484 53 A CA 0.857 52.927 52.037 0.054 0.000 0.813 53 A CB -1.897 17.150 19.000 0.078 0.000 1.009 53 A HN 1.453 nan 8.150 nan 0.000 0.545 54 G N -1.415 107.365 108.800 -0.032 0.000 2.504 54 G HA2 0.529 4.489 3.960 0.000 0.000 0.288 54 G HA3 0.529 4.489 3.960 0.000 0.000 0.288 54 G C 0.071 174.975 174.900 0.007 0.000 1.182 54 G CA -0.284 44.798 45.100 -0.029 0.000 0.894 54 G HN 0.684 nan 8.290 nan 0.000 0.521 55 R N 0.346 120.859 120.500 0.022 0.000 2.707 55 R HA 0.482 4.822 4.340 0.000 0.000 0.270 55 R C 0.675 176.981 176.300 0.010 0.000 1.083 55 R CA 0.043 56.152 56.100 0.015 0.000 1.182 55 R CB 0.471 30.782 30.300 0.018 0.000 1.084 55 R HN 0.819 nan 8.270 nan 0.000 0.528 56 K N -1.038 119.363 120.400 0.001 0.000 5.909 56 K HA -0.045 4.275 4.320 0.000 0.000 0.795 56 K C -1.620 174.976 176.600 -0.007 0.000 0.893 56 K CA 0.032 56.314 56.287 -0.009 0.000 1.085 56 K CB -0.819 31.670 32.500 -0.019 0.000 2.099 56 K HN 0.326 nan 8.250 nan 0.000 1.061 57 V N 1.450 121.357 119.914 -0.011 0.000 2.267 57 V HA 0.399 4.519 4.120 0.000 0.000 0.254 57 V C 0.671 176.762 176.094 -0.006 0.000 1.144 57 V CA -1.015 61.280 62.300 -0.008 0.000 0.992 57 V CB -0.644 31.173 31.823 -0.010 0.000 1.199 57 V HN 0.470 nan 8.190 nan 0.000 0.493 58 L N 3.804 125.025 121.223 -0.003 0.000 2.552 58 L HA 0.073 4.413 4.340 0.000 0.000 0.315 58 L C 0.805 177.675 176.870 -0.000 0.000 1.301 58 L CA 1.283 56.123 54.840 -0.000 0.000 0.840 58 L CB -0.315 41.745 42.059 0.002 0.000 1.067 58 L HN 1.068 nan 8.230 nan 0.000 0.558 59 E N -1.110 119.092 120.200 0.002 0.000 2.352 59 E HA 0.548 4.898 4.350 0.000 0.000 0.280 59 E C -1.034 175.568 176.600 0.004 0.000 0.930 59 E CA -1.003 55.399 56.400 0.002 0.000 0.765 59 E CB 1.312 31.013 29.700 0.002 0.000 1.219 59 E HN 0.138 nan 8.360 nan 0.000 0.434 60 V N 0.000 119.916 119.914 0.004 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