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 3huz_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 0.000 177.566 177.584 -0.031 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 K N -0.282 120.102 120.400 -0.026 0.000 2.280 3 K HA 0.715 5.035 4.320 0.000 0.000 0.234 3 K C 0.585 177.195 176.600 0.017 0.000 1.028 3 K CA -0.586 55.666 56.287 -0.058 0.000 0.882 3 K CB 0.314 32.772 32.500 -0.070 0.000 1.194 3 K HN 0.403 nan 8.250 nan 0.000 0.458 4 H N 0.229 119.301 119.070 0.002 0.000 1.453 4 H HA -0.248 4.308 4.556 0.000 0.000 0.090 4 H C -1.528 173.802 175.328 0.003 0.000 0.949 4 H CA 1.050 57.100 56.048 0.002 0.000 1.901 4 H CB -1.362 28.401 29.762 0.002 0.000 2.257 4 H HN 0.486 nan 8.280 nan 0.000 0.961 5 P HA -0.027 nan 4.420 nan 0.000 0.261 5 P C -1.390 175.944 177.300 0.057 0.000 1.140 5 P CA 0.803 63.944 63.100 0.069 0.000 0.757 5 P CB 0.303 32.028 31.700 0.042 0.000 0.735 6 V N 5.338 125.278 119.914 0.042 0.000 2.851 6 V HA 0.523 4.643 4.120 0.000 0.000 0.307 6 V C -2.321 173.786 176.094 0.022 0.000 1.129 6 V CA -1.895 60.423 62.300 0.031 0.000 0.932 6 V CB 2.179 34.020 31.823 0.030 0.000 1.024 6 V HN 0.505 nan 8.190 nan 0.000 0.426 7 P HA 0.235 nan 4.420 nan 0.000 0.268 7 P C -0.226 177.082 177.300 0.012 0.000 1.204 7 P CA -0.177 62.931 63.100 0.014 0.000 0.768 7 P CB 1.344 33.051 31.700 0.012 0.000 0.842 8 K N 1.992 122.398 120.400 0.011 0.000 2.243 8 K HA 0.063 4.383 4.320 0.000 0.000 0.201 8 K C 0.342 176.946 176.600 0.007 0.000 1.051 8 K CA 1.122 57.415 56.287 0.009 0.000 0.970 8 K CB 0.301 32.806 32.500 0.009 0.000 0.755 8 K HN 0.282 nan 8.250 nan 0.000 0.465 9 K N 0.833 121.237 120.400 0.006 0.000 2.565 9 K HA 0.094 4.414 4.320 0.000 0.000 0.251 9 K C -1.522 175.080 176.600 0.003 0.000 0.956 9 K CA -0.659 55.631 56.287 0.004 0.000 0.809 9 K CB 1.744 34.246 32.500 0.003 0.000 1.267 9 K HN -0.036 nan 8.250 nan 0.000 0.438 10 K N 2.591 122.992 120.400 0.002 0.000 2.405 10 K HA -0.034 4.286 4.320 0.000 0.000 0.273 10 K C -0.138 176.462 176.600 -0.001 0.000 1.116 10 K CA 0.535 56.823 56.287 0.001 0.000 1.155 10 K CB 0.019 32.519 32.500 -0.000 0.000 0.858 10 K HN 0.599 nan 8.250 nan 0.000 0.477 11 T N 1.965 116.519 114.554 -0.001 0.000 2.867 11 T HA 0.021 4.371 4.350 0.000 0.000 0.297 11 T C 0.541 175.237 174.700 -0.007 0.000 0.989 11 T CA -0.477 61.621 62.100 -0.003 0.000 1.159 11 T CB 0.634 69.500 68.868 -0.003 0.000 0.928 11 T HN 0.573 nan 8.240 nan 0.000 0.538 12 S N 2.805 118.501 115.700 -0.008 0.000 2.580 12 S HA 0.134 4.604 4.470 0.000 0.000 0.266 12 S C 0.986 175.577 174.600 -0.015 0.000 1.354 12 S CA -0.946 57.248 58.200 -0.010 0.000 1.008 12 S CB 0.387 63.581 63.200 -0.009 0.000 0.898 12 S HN 0.774 nan 8.310 nan 0.000 0.555 13 K N 0.539 120.930 120.400 -0.016 0.000 2.633 13 K HA 0.049 4.369 4.320 0.000 0.000 0.193 13 K C 1.433 178.018 176.600 -0.025 0.000 1.033 13 K CA 0.765 57.039 56.287 -0.021 0.000 0.980 13 K CB -0.561 31.929 32.500 -0.018 0.000 0.800 13 K HN 0.611 nan 8.250 nan 0.000 0.493 14 A N 1.480 124.287 122.820 -0.022 0.000 1.944 14 A HA 0.045 4.366 4.320 0.000 0.000 0.209 14 A C 2.006 179.574 177.584 -0.026 0.000 1.328 14 A CA 0.011 52.034 52.037 -0.023 0.000 0.693 14 A CB -0.161 18.828 19.000 -0.017 0.000 0.994 14 A HN 0.151 nan 8.150 nan 0.000 0.485 15 R N -0.172 120.316 120.500 -0.020 0.000 2.285 15 R HA -0.055 4.285 4.340 0.000 0.000 0.213 15 R C 2.156 178.441 176.300 -0.026 0.000 1.068 15 R CA 1.223 57.312 56.100 -0.017 0.000 1.004 15 R CB -0.135 30.160 30.300 -0.009 0.000 0.873 15 R HN 0.578 nan 8.270 nan 0.000 0.467 16 R N 0.109 120.589 120.500 -0.034 0.000 2.046 16 R HA -0.046 4.294 4.340 0.000 0.000 0.223 16 R C 1.179 177.431 176.300 -0.081 0.000 1.179 16 R CA 1.497 57.568 56.100 -0.049 0.000 0.952 16 R CB -0.097 30.178 30.300 -0.042 0.000 0.843 16 R HN 0.135 nan 8.270 nan 0.000 0.439 17 D N 0.460 120.814 120.400 -0.077 0.000 2.384 17 D HA -0.106 4.534 4.640 0.000 0.000 0.222 17 D C 1.247 177.486 176.300 -0.102 0.000 0.976 17 D CA 1.118 55.059 54.000 -0.097 0.000 0.915 17 D CB 0.280 41.039 40.800 -0.070 0.000 0.896 17 D HN 0.460 nan 8.370 nan 0.000 0.523 18 A N 1.109 123.882 122.820 -0.079 0.000 2.044 18 A HA -0.063 4.257 4.320 0.000 0.000 0.213 18 A C 2.100 179.640 177.584 -0.073 0.000 1.169 18 A CA 0.357 52.351 52.037 -0.072 0.000 0.724 18 A CB -0.123 18.851 19.000 -0.043 0.000 0.840 18 A HN 0.212 nan 8.150 nan 0.000 0.463 19 R N -0.613 119.852 120.500 -0.059 0.000 2.276 19 R HA 0.152 4.492 4.340 0.000 0.000 0.196 19 R C 1.131 177.405 176.300 -0.043 0.000 0.961 19 R CA 0.518 56.613 56.100 -0.008 0.000 1.024 19 R CB -0.182 30.127 30.300 0.014 0.000 0.940 19 R HN 0.285 nan 8.270 nan 0.000 0.480 20 R N 1.066 121.447 120.500 -0.198 0.000 2.356 20 R HA 0.079 4.419 4.340 0.000 0.000 0.234 20 R C 1.395 177.585 176.300 -0.184 0.000 0.929 20 R CA 0.565 56.392 56.100 -0.455 0.000 1.084 20 R CB 0.515 30.445 30.300 -0.617 0.000 1.105 20 R HN 0.386 nan 8.270 nan 0.000 0.515 21 S N 0.171 115.753 115.700 -0.197 0.000 2.440 21 S HA -0.152 4.318 4.470 0.000 0.000 0.238 21 S C 1.092 175.492 174.600 -0.334 0.000 1.010 21 S CA 0.859 58.878 58.200 -0.303 0.000 0.972 21 S CB -0.182 62.752 63.200 -0.443 0.000 0.774 21 S HN 0.413 nan 8.310 nan 0.000 0.501 22 H N -0.171 118.997 119.070 0.164 0.000 2.488 22 H HA 0.283 4.839 4.556 0.000 0.000 0.294 22 H C 0.084 175.522 175.328 0.183 0.000 1.088 22 H CA -0.055 56.082 56.048 0.149 0.000 1.086 22 H CB -0.194 29.629 29.762 0.101 0.000 1.569 22 H HN 0.512 nan 8.280 nan 0.000 0.548 23 H N 0.263 119.365 119.070 0.053 0.000 2.517 23 H HA 0.323 4.879 4.556 0.000 0.000 0.282 23 H C 0.782 176.126 175.328 0.027 0.000 1.023 23 H CA -0.058 56.014 56.048 0.040 0.000 1.169 23 H CB 0.395 30.169 29.762 0.020 0.000 1.454 23 H HN 0.270 nan 8.280 nan 0.000 0.556 24 A N 1.482 124.374 122.820 0.120 0.000 2.376 24 A HA 0.352 4.672 4.320 0.000 0.000 0.298 24 A C -0.264 177.348 177.584 0.048 0.000 1.271 24 A CA -0.595 51.484 52.037 0.069 0.000 0.926 24 A CB -0.884 18.148 19.000 0.053 0.000 1.141 24 A HN 0.240 nan 8.150 nan 0.000 0.539 25 L N 2.207 123.450 121.223 0.033 0.000 2.467 25 L HA 0.406 4.746 4.340 0.000 0.000 0.270 25 L C 1.133 178.015 176.870 0.019 0.000 1.205 25 L CA 0.086 54.938 54.840 0.019 0.000 0.828 25 L CB -0.549 41.518 42.059 0.012 0.000 1.101 25 L HN 0.649 nan 8.230 nan 0.000 0.479 26 T N -1.205 113.358 114.554 0.015 0.000 2.909 26 T HA 0.561 4.911 4.350 0.000 0.000 0.286 26 T C -2.284 172.423 174.700 0.011 0.000 1.002 26 T CA -1.666 60.443 62.100 0.015 0.000 1.074 26 T CB 0.798 69.674 68.868 0.014 0.000 0.984 26 T HN 0.626 nan 8.240 nan 0.000 0.495 27 P HA 0.163 nan 4.420 nan 0.000 0.260 27 P C -2.271 175.032 177.300 0.006 0.000 1.207 27 P CA -0.997 62.107 63.100 0.007 0.000 0.780 27 P CB -0.512 31.191 31.700 0.006 0.000 0.789 28 P HA -0.062 nan 4.420 nan 0.000 0.253 28 P C 0.421 177.723 177.300 0.003 0.000 1.170 28 P CA 0.374 63.477 63.100 0.004 0.000 0.806 28 P CB -0.166 31.535 31.700 0.002 0.000 0.775 29 T N 4.820 119.378 114.554 0.007 0.000 2.792 29 T HA 0.209 4.559 4.350 0.000 0.000 0.286 29 T C -0.000 174.701 174.700 0.002 0.000 0.970 29 T CA 0.007 62.111 62.100 0.007 0.000 1.187 29 T CB -0.454 68.423 68.868 0.015 0.000 0.915 29 T HN 0.248 nan 8.240 nan 0.000 0.529 30 L N 4.509 125.728 121.223 -0.007 0.000 2.283 30 L HA 0.881 5.221 4.340 0.000 0.000 0.259 30 L C -0.250 176.602 176.870 -0.030 0.000 1.027 30 L CA -1.437 53.391 54.840 -0.020 0.000 0.828 30 L CB 2.313 44.358 42.059 -0.023 0.000 1.380 30 L HN 0.631 nan 8.230 nan 0.000 0.425 31 V N -2.613 117.272 119.914 -0.048 0.000 3.159 31 V HA 0.545 4.665 4.120 0.000 0.000 0.308 31 V C -2.613 173.437 176.094 -0.073 0.000 1.190 31 V CA -1.662 60.602 62.300 -0.061 0.000 1.037 31 V CB 1.464 33.238 31.823 -0.082 0.000 1.060 31 V HN 0.457 nan 8.190 nan 0.000 0.437 32 P HA -0.055 nan 4.420 nan 0.000 0.207 32 P C 0.259 177.501 177.300 -0.097 0.000 0.938 32 P CA 2.122 65.178 63.100 -0.073 0.000 0.948 32 P CB 0.060 31.719 31.700 -0.067 0.000 0.643 33 C N -3.659 115.569 119.300 -0.119 0.000 3.125 33 C HA 0.011 4.471 4.460 0.000 0.000 0.350 33 C C -1.939 172.965 174.990 -0.143 0.000 0.953 33 C CA -0.843 58.079 59.018 -0.158 0.000 1.423 33 C CB -1.981 25.671 27.740 -0.146 0.000 1.758 33 C HN 0.297 nan 8.230 nan 0.000 0.419 34 P HA -0.144 nan 4.420 nan 0.000 0.216 34 P C 0.170 177.407 177.300 -0.105 0.000 1.167 34 P CA 1.770 64.788 63.100 -0.137 0.000 0.933 34 P CB 0.154 31.735 31.700 -0.198 0.000 0.793 35 E N -0.296 119.831 120.200 -0.122 0.000 2.081 35 E HA 0.326 4.676 4.350 0.000 0.000 0.281 35 E C -0.067 176.487 176.600 -0.077 0.000 0.986 35 E CA -0.122 56.230 56.400 -0.080 0.000 0.796 35 E CB 0.066 29.726 29.700 -0.067 0.000 1.085 35 E HN 0.439 nan 8.360 nan 0.000 0.398 36 C N 1.934 121.200 119.300 -0.057 0.000 0.171 36 C HA -0.101 4.360 4.460 0.000 0.000 0.018 36 C C 1.574 176.531 174.990 -0.055 0.000 0.171 36 C CA -0.265 58.723 59.018 -0.051 0.000 0.505 36 C CB -1.345 26.365 27.740 -0.050 0.000 3.211 36 C HN 1.058 nan 8.230 nan 0.000 1.118 37 K N 4.046 124.420 120.400 -0.043 0.000 2.034 37 K HA 0.123 4.443 4.320 0.000 0.000 0.214 37 K C 1.171 177.742 176.600 -0.048 0.000 1.051 37 K CA 1.812 58.074 56.287 -0.042 0.000 0.931 37 K CB -0.575 31.907 32.500 -0.031 0.000 0.715 37 K HN 2.600 nan 8.250 nan 0.000 0.446 38 A N 2.122 124.915 122.820 -0.045 0.000 2.512 38 A HA -0.127 4.193 4.320 0.000 0.000 0.276 38 A C 0.283 177.833 177.584 -0.056 0.000 0.917 38 A CA 0.597 52.606 52.037 -0.047 0.000 1.061 38 A CB -0.305 18.666 19.000 -0.049 0.000 0.761 38 A HN 0.394 nan 8.150 nan 0.000 0.396 39 M N 2.192 121.763 119.600 -0.048 0.000 2.242 39 M HA 0.434 4.914 4.480 0.000 0.000 0.344 39 M C 0.370 176.635 176.300 -0.057 0.000 1.140 39 M CA 0.326 55.596 55.300 -0.050 0.000 1.160 39 M CB 0.997 33.575 32.600 -0.037 0.000 1.491 39 M HN 0.885 nan 8.290 nan 0.000 0.459 40 K N 2.935 123.294 120.400 -0.068 0.000 2.556 40 K HA 0.718 5.038 4.320 0.000 0.000 0.274 40 K C -3.138 173.423 176.600 -0.065 0.000 0.966 40 K CA -1.375 54.868 56.287 -0.072 0.000 0.865 40 K CB 1.429 33.865 32.500 -0.106 0.000 1.444 40 K HN 0.234 nan 8.250 nan 0.000 0.433 41 P HA 0.170 nan 4.420 nan 0.000 0.282 41 P C -2.307 174.973 177.300 -0.033 0.000 1.262 41 P CA -1.149 61.938 63.100 -0.022 0.000 0.773 41 P CB 0.431 32.130 31.700 -0.001 0.000 0.879 42 P HA -0.172 nan 4.420 nan 0.000 0.271 42 P C 0.568 177.870 177.300 0.004 0.000 1.228 42 P CA 0.745 63.792 63.100 -0.089 0.000 0.797 42 P CB -0.082 31.584 31.700 -0.057 0.000 0.914 43 H N -3.965 115.125 119.070 0.033 0.000 3.284 43 H HA -0.176 4.380 4.556 0.000 0.000 0.257 43 H C 0.817 176.228 175.328 0.138 0.000 1.091 43 H CA 1.616 57.731 56.048 0.113 0.000 1.190 43 H CB -2.351 27.463 29.762 0.088 0.000 1.268 43 H HN 0.685 nan 8.280 nan 0.000 0.322 44 T N -2.285 112.325 114.554 0.094 0.000 2.952 44 T HA 0.580 4.930 4.350 0.000 0.000 0.286 44 T C 0.485 175.155 174.700 -0.051 0.000 1.024 44 T CA -0.643 61.509 62.100 0.087 0.000 1.029 44 T CB 2.690 71.578 68.868 0.033 0.000 1.094 44 T HN 0.005 nan 8.240 nan 0.000 0.515 45 V N 2.188 122.149 119.914 0.079 0.000 2.405 45 V HA 0.179 4.299 4.120 0.000 0.000 0.264 45 V C 1.362 177.401 176.094 -0.093 0.000 1.048 45 V CA -1.013 61.303 62.300 0.027 0.000 0.966 45 V CB -0.234 31.732 31.823 0.238 0.000 1.015 45 V HN 1.222 nan 8.190 nan 0.000 0.477 46 C N 10.131 129.292 119.300 -0.232 0.000 2.334 46 C HA 0.046 4.506 4.460 0.000 0.000 0.395 46 C C 0.510 175.458 174.990 -0.070 0.000 1.507 46 C CA -0.553 58.371 59.018 -0.157 0.000 1.494 46 C CB 0.056 27.681 27.740 -0.192 0.000 2.509 46 C HN 0.869 nan 8.230 nan 0.000 0.599 47 P HA -0.125 nan 4.420 nan 0.000 0.218 47 P C 0.825 178.112 177.300 -0.021 0.000 1.148 47 P CA 1.748 64.833 63.100 -0.025 0.000 0.822 47 P CB 0.397 32.083 31.700 -0.024 0.000 0.784 48 E N -0.022 120.159 120.200 -0.032 0.000 2.046 48 E HA -0.051 4.299 4.350 0.000 0.000 0.199 48 E C 2.454 179.041 176.600 -0.021 0.000 0.948 48 E CA 0.977 57.362 56.400 -0.025 0.000 0.876 48 E CB -1.265 28.417 29.700 -0.030 0.000 0.901 48 E HN 0.276 nan 8.360 nan 0.000 0.479 49 C N 0.184 119.464 119.300 -0.033 0.000 4.152 49 C HA 0.335 4.795 4.460 0.000 0.000 0.294 49 C C 1.457 176.443 174.990 -0.007 0.000 1.201 49 C CA 0.043 59.045 59.018 -0.025 0.000 1.844 49 C CB -1.705 26.007 27.740 -0.047 0.000 1.962 49 C HN 0.599 nan 8.230 nan 0.000 0.402 50 G N -1.586 107.203 108.800 -0.018 0.000 3.084 50 G HA2 0.238 4.198 3.960 0.000 0.000 0.543 50 G HA3 0.238 4.198 3.960 0.000 0.000 0.543 50 G C -0.636 174.328 174.900 0.105 0.000 1.239 50 G CA -0.443 44.680 45.100 0.038 0.000 1.190 50 G HN 0.822 nan 8.290 nan 0.000 0.549 51 Y N 0.682 120.969 120.300 -0.021 0.000 3.298 51 Y HA -0.126 4.424 4.550 0.000 0.000 0.379 51 Y C 1.729 177.714 175.900 0.142 0.000 1.119 51 Y CA 1.488 59.574 58.100 -0.024 0.000 1.514 51 Y CB -0.050 38.498 38.460 0.146 0.000 1.004 51 Y HN 0.888 nan 8.280 nan 0.000 0.605 52 Y N 0.714 121.143 120.300 0.214 0.000 2.831 52 Y HA 0.179 4.729 4.550 0.000 0.000 0.378 52 Y C 0.982 176.926 175.900 0.074 0.000 1.332 52 Y CA -1.039 57.125 58.100 0.106 0.000 1.693 52 Y CB -1.460 37.051 38.460 0.086 0.000 1.191 52 Y HN 0.827 nan 8.280 nan 0.000 0.516 53 A N 1.669 124.625 122.820 0.227 0.000 2.783 53 A HA -0.146 4.174 4.320 0.000 0.000 0.292 53 A C 1.196 178.856 177.584 0.126 0.000 1.495 53 A CA 1.061 53.175 52.037 0.127 0.000 0.787 53 A CB -1.740 17.305 19.000 0.074 0.000 1.017 53 A HN 1.557 nan 8.150 nan 0.000 0.516 54 G N -1.132 107.779 108.800 0.184 0.000 2.666 54 G HA2 0.526 4.486 3.960 0.000 0.000 0.207 54 G HA3 0.526 4.486 3.960 0.000 0.000 0.207 54 G C 0.131 175.098 174.900 0.112 0.000 1.481 54 G CA 0.050 45.252 45.100 0.169 0.000 1.071 54 G HN 0.776 nan 8.290 nan 0.000 0.572 55 R N 0.038 120.605 120.500 0.113 0.000 2.643 55 R HA 0.560 4.900 4.340 0.000 0.000 0.272 55 R C 0.256 176.601 176.300 0.075 0.000 0.995 55 R CA -0.564 55.582 56.100 0.077 0.000 1.032 55 R CB 1.013 31.352 30.300 0.065 0.000 1.126 55 R HN 0.732 nan 8.270 nan 0.000 0.505 56 K N 0.623 121.054 120.400 0.051 0.000 2.410 56 K HA 0.174 4.494 4.320 0.000 0.000 0.261 56 K C -0.312 176.304 176.600 0.027 0.000 0.847 56 K CA -0.032 56.279 56.287 0.040 0.000 0.673 56 K CB -0.445 32.078 32.500 0.038 0.000 1.377 56 K HN 0.300 nan 8.250 nan 0.000 0.330 57 V N -0.966 118.960 119.914 0.020 0.000 6.138 57 V HA 0.474 4.594 4.120 0.000 0.000 0.265 57 V C 0.723 176.825 176.094 0.013 0.000 1.524 57 V CA -0.638 61.670 62.300 0.014 0.000 0.637 57 V CB -0.588 31.240 31.823 0.009 0.000 1.405 57 V HN 0.478 nan 8.190 nan 0.000 0.360 58 L N 1.379 122.608 121.223 0.010 0.000 2.282 58 L HA 0.651 4.991 4.340 0.000 0.000 0.288 58 L C -0.517 176.359 176.870 0.009 0.000 1.033 58 L CA -0.198 54.648 54.840 0.009 0.000 0.807 58 L CB 1.180 43.243 42.059 0.007 0.000 1.209 58 L HN 0.582 nan 8.230 nan 0.000 0.423 59 E N 3.086 123.293 120.200 0.010 0.000 2.256 59 E HA 0.541 4.891 4.350 0.000 0.000 0.268 59 E C -0.853 175.752 176.600 0.009 0.000 0.877 59 E CA -0.448 55.959 56.400 0.010 0.000 0.757 59 E CB 3.071 32.779 29.700 0.014 0.000 1.183 59 E HN 0.197 nan 8.360 nan 0.000 0.418 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 0.005 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000