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 3hug_1_F DATA FIRST_RESID 24 DATA SEQUENCE DHHYAMWDAA YVLGALSAAD RREFEAHLAG CPECRGAVTE LCGVPALLSQ DATA SEQUENCE LDRDEV 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.375 176.300 0.125 0.000 2.045 24 D CA 0.000 54.036 54.000 0.061 0.000 0.868 24 D CB 0.000 40.808 40.800 0.013 0.000 0.688 25 H N 1.920 121.009 119.070 0.032 0.000 2.702 25 H HA 0.071 4.627 4.556 0.000 0.000 0.252 25 H C 1.129 176.460 175.328 0.004 0.000 1.493 25 H CA -0.517 55.555 56.048 0.040 0.000 1.273 25 H CB 0.462 30.256 29.762 0.053 0.000 1.537 25 H HN 0.384 nan 8.280 nan 0.000 0.547 26 H N 3.303 122.235 119.070 -0.229 0.000 2.462 26 H HA -0.164 4.392 4.556 0.000 0.000 0.292 26 H C 0.587 175.603 175.328 -0.520 0.000 1.049 26 H CA 0.683 56.534 56.048 -0.328 0.000 1.334 26 H CB -0.558 29.027 29.762 -0.294 0.000 1.404 26 H HN 0.543 nan 8.280 nan 0.000 0.544 27 Y N 1.796 121.416 120.300 -1.133 0.000 2.384 27 Y HA 0.002 4.552 4.550 0.000 0.000 0.289 27 Y C 3.018 178.518 175.900 -0.666 0.000 1.152 27 Y CA 0.919 58.231 58.100 -1.312 0.000 1.258 27 Y CB -0.754 36.882 38.460 -1.373 0.000 0.979 27 Y HN 0.417 nan 8.280 nan 0.000 0.549 28 A N -0.505 121.991 122.820 -0.539 0.000 2.139 28 A HA -0.209 4.111 4.320 0.000 0.000 0.221 28 A C 2.013 179.577 177.584 -0.033 0.000 1.159 28 A CA 1.553 53.436 52.037 -0.257 0.000 0.662 28 A CB -0.505 18.337 19.000 -0.264 0.000 0.796 28 A HN 0.287 nan 8.150 nan 0.000 0.463 29 M N -2.271 117.351 119.600 0.037 0.000 2.556 29 M HA 0.046 4.527 4.480 0.000 0.000 0.245 29 M C 0.694 177.140 176.300 0.243 0.000 1.128 29 M CA 0.086 55.480 55.300 0.157 0.000 1.069 29 M CB -0.942 31.765 32.600 0.179 0.000 1.469 29 M HN 0.681 nan 8.290 nan 0.000 0.494 30 W N 1.419 122.570 121.300 -0.248 0.000 3.197 30 W HA 0.044 4.704 4.660 -0.000 0.000 0.274 30 W C 1.705 177.901 176.519 -0.539 0.000 1.297 30 W CA -0.095 56.978 57.345 -0.454 0.000 1.662 30 W CB -0.912 28.109 29.460 -0.732 0.000 1.106 30 W HN 0.385 nan 8.180 nan 0.000 0.663 31 D N 0.459 120.817 120.400 -0.070 0.000 2.106 31 D HA -0.244 4.396 4.640 0.000 0.000 0.191 31 D C 2.025 178.377 176.300 0.085 0.000 0.997 31 D CA 2.294 56.335 54.000 0.068 0.000 0.834 31 D CB -1.140 39.771 40.800 0.184 0.000 0.956 31 D HN 0.063 nan 8.370 nan 0.000 0.448 32 A N 1.128 123.971 122.820 0.038 0.000 1.898 32 A HA 0.169 4.489 4.320 0.000 0.000 0.216 32 A C 2.496 180.074 177.584 -0.009 0.000 1.181 32 A CA 2.545 54.597 52.037 0.024 0.000 0.620 32 A CB -1.014 17.989 19.000 0.006 0.000 0.819 32 A HN 0.404 nan 8.150 nan 0.000 0.442 33 A N -1.150 121.636 122.820 -0.056 0.000 1.883 33 A HA -0.149 4.171 4.320 0.000 0.000 0.217 33 A C 2.123 179.678 177.584 -0.049 0.000 1.186 33 A CA 1.815 53.795 52.037 -0.095 0.000 0.624 33 A CB -0.969 17.912 19.000 -0.198 0.000 0.822 33 A HN 0.724 nan 8.150 nan 0.000 0.444 34 Y N 0.593 120.801 120.300 -0.153 0.000 2.030 34 Y HA -0.245 4.305 4.550 -0.000 0.000 0.274 34 Y C 2.449 178.362 175.900 0.021 0.000 1.153 34 Y CA 2.231 60.303 58.100 -0.047 0.000 1.115 34 Y CB -0.729 37.731 38.460 -0.001 0.000 0.969 34 Y HN 0.051 nan 8.280 nan 0.000 0.488 35 V N 0.423 120.321 119.914 -0.026 0.000 2.626 35 V HA -0.276 3.844 4.120 0.000 0.000 0.252 35 V C 2.289 178.311 176.094 -0.121 0.000 1.067 35 V CA 1.852 64.087 62.300 -0.108 0.000 1.081 35 V CB -0.609 31.244 31.823 0.049 0.000 0.686 35 V HN 0.446 nan 8.190 nan 0.000 0.468 36 L N -0.054 121.116 121.223 -0.088 0.000 2.492 36 L HA 0.233 4.573 4.340 0.000 0.000 0.223 36 L C 1.743 178.556 176.870 -0.096 0.000 1.132 36 L CA 0.959 55.753 54.840 -0.077 0.000 0.850 36 L CB -0.355 41.670 42.059 -0.056 0.000 0.966 36 L HN 0.517 nan 8.230 nan 0.000 0.454 37 G N -0.557 108.162 108.800 -0.134 0.000 2.132 37 G HA2 -0.279 3.681 3.960 0.000 0.000 0.234 37 G HA3 -0.279 3.681 3.960 0.000 0.000 0.234 37 G C 0.770 175.619 174.900 -0.084 0.000 0.989 37 G CA 0.269 45.298 45.100 -0.119 0.000 0.676 37 G HN 0.406 nan 8.290 nan 0.000 0.522 38 A N -0.868 121.901 122.820 -0.086 0.000 2.195 38 A HA 0.673 4.993 4.320 0.000 0.000 0.210 38 A C 1.059 178.586 177.584 -0.094 0.000 1.165 38 A CA 0.516 52.502 52.037 -0.085 0.000 0.806 38 A CB 0.144 19.087 19.000 -0.094 0.000 0.847 38 A HN 0.616 nan 8.150 nan 0.000 0.482 39 L N 1.452 122.628 121.223 -0.077 0.000 2.426 39 L HA 0.207 4.547 4.340 0.000 0.000 0.271 39 L C 1.244 178.098 176.870 -0.027 0.000 1.169 39 L CA 0.129 54.928 54.840 -0.067 0.000 0.836 39 L CB 0.797 42.878 42.059 0.035 0.000 1.112 39 L HN 0.393 nan 8.230 nan 0.000 0.465 40 S N 2.033 117.712 115.700 -0.035 0.000 2.600 40 S HA 0.379 4.849 4.470 0.000 0.000 0.265 40 S C 1.348 175.977 174.600 0.048 0.000 1.325 40 S CA -0.167 58.032 58.200 -0.001 0.000 1.002 40 S CB 0.706 63.901 63.200 -0.009 0.000 0.921 40 S HN 0.752 nan 8.310 nan 0.000 0.554 41 A N 2.359 125.208 122.820 0.049 0.000 1.869 41 A HA -0.029 4.291 4.320 0.000 0.000 0.218 41 A C 2.513 180.155 177.584 0.097 0.000 1.203 41 A CA 2.561 54.639 52.037 0.069 0.000 0.638 41 A CB -1.904 17.126 19.000 0.051 0.000 0.831 41 A HN 1.527 nan 8.150 nan 0.000 0.450 42 A N -0.396 122.477 122.820 0.088 0.000 1.892 42 A HA -0.273 4.047 4.320 0.000 0.000 0.218 42 A C 1.825 179.514 177.584 0.175 0.000 1.188 42 A CA 2.260 54.365 52.037 0.114 0.000 0.631 42 A CB -0.805 18.254 19.000 0.098 0.000 0.822 42 A HN 0.517 nan 8.150 nan 0.000 0.447 43 D N -1.194 119.313 120.400 0.178 0.000 2.117 43 D HA -0.121 4.519 4.640 0.000 0.000 0.198 43 D C 2.098 178.633 176.300 0.392 0.000 0.982 43 D CA 1.070 55.249 54.000 0.298 0.000 0.828 43 D CB -0.365 40.469 40.800 0.057 0.000 0.967 43 D HN 0.474 nan 8.370 nan 0.000 0.464 44 R N 0.908 121.578 120.500 0.283 0.000 2.081 44 R HA -0.093 4.247 4.340 0.000 0.000 0.235 44 R C 2.127 178.603 176.300 0.295 0.000 1.131 44 R CA 1.034 57.346 56.100 0.353 0.000 0.960 44 R CB 0.044 30.509 30.300 0.275 0.000 0.856 44 R HN 0.078 nan 8.270 nan 0.000 0.436 45 R N 0.393 121.017 120.500 0.207 0.000 2.070 45 R HA -0.106 4.234 4.340 0.000 0.000 0.233 45 R C 2.371 178.741 176.300 0.116 0.000 1.137 45 R CA 1.868 58.050 56.100 0.138 0.000 0.945 45 R CB -0.253 30.113 30.300 0.109 0.000 0.845 45 R HN 0.347 nan 8.270 nan 0.000 0.430 46 E N -0.348 119.957 120.200 0.175 0.000 2.065 46 E HA -0.265 4.085 4.350 0.000 0.000 0.201 46 E C 1.804 178.391 176.600 -0.021 0.000 1.016 46 E CA 1.642 58.126 56.400 0.139 0.000 0.818 46 E CB -0.221 29.671 29.700 0.320 0.000 0.749 46 E HN 0.200 nan 8.360 nan 0.000 0.453 47 F N 1.823 121.741 119.950 -0.052 0.000 2.113 47 F HA -0.139 4.388 4.527 0.000 0.000 0.297 47 F C 2.135 177.771 175.800 -0.272 0.000 1.103 47 F CA 1.555 59.412 58.000 -0.239 0.000 1.248 47 F CB -0.156 38.865 39.000 0.036 0.000 0.999 47 F HN -0.031 nan 8.300 nan 0.000 0.475 48 E N 0.010 120.085 120.200 -0.209 0.000 2.085 48 E HA -0.242 4.108 4.350 0.000 0.000 0.194 48 E C 2.360 178.789 176.600 -0.286 0.000 0.994 48 E CA 1.129 57.357 56.400 -0.287 0.000 0.801 48 E CB -0.448 29.219 29.700 -0.055 0.000 0.743 48 E HN 0.475 nan 8.360 nan 0.000 0.453 49 A N 0.944 123.647 122.820 -0.195 0.000 1.883 49 A HA -0.273 4.047 4.320 0.000 0.000 0.217 49 A C 1.967 179.391 177.584 -0.267 0.000 1.186 49 A CA 2.119 54.050 52.037 -0.176 0.000 0.624 49 A CB -0.877 18.066 19.000 -0.095 0.000 0.822 49 A HN 0.406 nan 8.150 nan 0.000 0.444 50 H N -1.089 117.682 119.070 -0.498 0.000 2.387 50 H HA -0.068 4.488 4.556 0.000 0.000 0.299 50 H C 1.731 176.758 175.328 -0.502 0.000 1.090 50 H CA 1.576 57.289 56.048 -0.558 0.000 1.332 50 H CB -0.200 28.965 29.762 -0.996 0.000 1.386 50 H HN 0.258 nan 8.280 nan 0.000 0.516 51 L N 1.032 121.832 121.223 -0.705 0.000 2.081 51 L HA 0.008 4.348 4.340 0.000 0.000 0.212 51 L C 1.172 177.785 176.870 -0.429 0.000 1.080 51 L CA 1.519 55.974 54.840 -0.642 0.000 0.754 51 L CB -1.495 40.151 42.059 -0.688 0.000 0.893 51 L HN 0.427 nan 8.230 nan 0.000 0.433 52 A N -1.122 121.492 122.820 -0.343 0.000 2.477 52 A HA 0.431 4.751 4.320 0.000 0.000 0.246 52 A C 1.470 178.897 177.584 -0.262 0.000 1.078 52 A CA 0.311 52.205 52.037 -0.240 0.000 0.770 52 A CB -0.570 18.325 19.000 -0.176 0.000 1.011 52 A HN 0.839 nan 8.150 nan 0.000 0.494 53 G N 0.290 108.966 108.800 -0.206 0.000 2.187 53 G HA2 -0.238 3.722 3.960 0.000 0.000 0.261 53 G HA3 -0.238 3.722 3.960 0.000 0.000 0.261 53 G C 0.394 175.130 174.900 -0.272 0.000 1.000 53 G CA 0.709 45.688 45.100 -0.202 0.000 0.718 53 G HN 1.951 nan 8.290 nan 0.000 0.519 54 C N 1.533 120.623 119.300 -0.349 0.000 2.814 54 C HA 0.646 5.106 4.460 0.000 0.000 0.269 54 C C -0.257 174.621 174.990 -0.187 0.000 1.090 54 C CA -1.259 57.557 59.018 -0.336 0.000 1.492 54 C CB 0.830 28.171 27.740 -0.666 0.000 1.825 54 C HN 0.233 nan 8.230 nan 0.000 0.442 55 P HA -0.147 nan 4.420 nan 0.000 0.219 55 P C 1.132 178.421 177.300 -0.017 0.000 1.146 55 P CA 1.671 64.732 63.100 -0.064 0.000 0.808 55 P CB 0.297 31.967 31.700 -0.050 0.000 0.779 56 E N -0.078 120.133 120.200 0.018 0.000 2.046 56 E HA -0.103 4.247 4.350 0.000 0.000 0.190 56 E C 2.372 179.040 176.600 0.112 0.000 0.982 56 E CA 0.899 57.349 56.400 0.084 0.000 0.800 56 E CB -1.578 28.207 29.700 0.143 0.000 0.756 56 E HN 0.263 nan 8.360 nan 0.000 0.449 57 C N 1.173 120.557 119.300 0.141 0.000 2.440 57 C HA 0.011 4.471 4.460 0.000 0.000 0.278 57 C C 2.764 177.777 174.990 0.039 0.000 1.295 57 C CA 0.286 59.385 59.018 0.135 0.000 1.738 57 C CB -0.906 26.940 27.740 0.177 0.000 1.987 57 C HN 0.397 nan 8.230 nan 0.000 0.492 58 R N 0.456 120.931 120.500 -0.042 0.000 2.091 58 R HA -0.109 4.231 4.340 0.000 0.000 0.238 58 R C 2.406 178.718 176.300 0.020 0.000 1.136 58 R CA 1.742 57.817 56.100 -0.042 0.000 0.959 58 R CB -0.653 29.604 30.300 -0.071 0.000 0.856 58 R HN 0.644 nan 8.270 nan 0.000 0.437 59 G N -0.029 108.789 108.800 0.031 0.000 2.421 59 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 59 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 59 G C 1.469 176.410 174.900 0.068 0.000 1.143 59 G CA 0.665 45.792 45.100 0.044 0.000 0.784 59 G HN 0.409 nan 8.290 nan 0.000 0.541 60 A N 0.805 123.680 122.820 0.092 0.000 1.877 60 A HA 0.019 4.339 4.320 0.000 0.000 0.216 60 A C 2.725 180.388 177.584 0.131 0.000 1.186 60 A CA 2.579 54.683 52.037 0.112 0.000 0.620 60 A CB -0.961 18.122 19.000 0.138 0.000 0.822 60 A HN 0.919 nan 8.150 nan 0.000 0.443 61 V N -2.589 117.425 119.914 0.167 0.000 2.515 61 V HA -0.168 3.952 4.120 0.000 0.000 0.250 61 V C 2.108 178.287 176.094 0.142 0.000 1.058 61 V CA 2.772 65.194 62.300 0.204 0.000 1.064 61 V CB -1.797 30.209 31.823 0.306 0.000 0.675 61 V HN 0.418 nan 8.190 nan 0.000 0.461 62 T N 0.695 115.310 114.554 0.102 0.000 2.759 62 T HA -0.171 4.179 4.350 0.000 0.000 0.269 62 T C 1.773 176.512 174.700 0.064 0.000 1.042 62 T CA 2.240 64.385 62.100 0.074 0.000 1.140 62 T CB -0.329 68.570 68.868 0.051 0.000 0.864 62 T HN 0.736 nan 8.240 nan 0.000 0.455 63 E N 0.575 120.814 120.200 0.066 0.000 2.107 63 E HA 0.040 4.390 4.350 0.000 0.000 0.191 63 E C 1.996 178.629 176.600 0.055 0.000 0.982 63 E CA 0.730 57.163 56.400 0.054 0.000 0.809 63 E CB -0.118 29.614 29.700 0.053 0.000 0.756 63 E HN 0.423 nan 8.360 nan 0.000 0.459 64 L N 0.793 122.058 121.223 0.070 0.000 2.446 64 L HA 0.000 4.340 4.340 0.000 0.000 0.219 64 L C 2.554 179.458 176.870 0.057 0.000 1.116 64 L CA 0.161 55.038 54.840 0.063 0.000 0.844 64 L CB -0.406 41.700 42.059 0.078 0.000 0.970 64 L HN 0.394 nan 8.230 nan 0.000 0.457 65 C N -1.002 118.337 119.300 0.065 0.000 2.437 65 C HA 0.049 4.509 4.460 0.000 0.000 0.283 65 C C 2.466 177.475 174.990 0.032 0.000 1.424 65 C CA 0.172 59.223 59.018 0.054 0.000 1.782 65 C CB -1.751 26.029 27.740 0.067 0.000 1.833 65 C HN 0.507 nan 8.230 nan 0.000 0.532 66 G N 0.566 109.384 108.800 0.030 0.000 2.744 66 G HA2 0.141 4.101 3.960 0.000 0.000 0.211 66 G HA3 0.141 4.101 3.960 0.000 0.000 0.211 66 G C 1.465 176.373 174.900 0.014 0.000 1.143 66 G CA 0.966 46.078 45.100 0.020 0.000 0.788 66 G HN 0.491 nan 8.290 nan 0.000 0.534 67 V N 1.569 121.492 119.914 0.016 0.000 2.302 67 V HA -0.042 4.078 4.120 0.000 0.000 0.243 67 V C 0.331 176.427 176.094 0.002 0.000 1.036 67 V CA 1.687 63.993 62.300 0.010 0.000 1.020 67 V CB -0.776 31.055 31.823 0.013 0.000 0.657 67 V HN 0.190 nan 8.190 nan 0.000 0.453 68 P HA -0.236 nan 4.420 nan 0.000 0.216 68 P C 1.730 179.025 177.300 -0.007 0.000 1.157 68 P CA 2.387 65.481 63.100 -0.010 0.000 0.880 68 P CB -0.239 31.450 31.700 -0.018 0.000 0.791 69 A N -0.740 122.078 122.820 -0.004 0.000 1.903 69 A HA -0.235 4.085 4.320 0.000 0.000 0.219 69 A C 2.291 179.874 177.584 -0.001 0.000 1.191 69 A CA 1.985 54.021 52.037 -0.002 0.000 0.638 69 A CB -1.754 17.247 19.000 0.002 0.000 0.823 69 A HN 0.151 nan 8.150 nan 0.000 0.451 70 L N -1.396 119.827 121.223 0.000 0.000 2.072 70 L HA -0.117 4.223 4.340 0.000 0.000 0.205 70 L C 2.382 179.251 176.870 -0.002 0.000 1.079 70 L CA 0.408 55.248 54.840 0.001 0.000 0.752 70 L CB -0.413 41.648 42.059 0.003 0.000 0.906 70 L HN 0.269 nan 8.230 nan 0.000 0.436 71 L N 0.078 121.299 121.223 -0.004 0.000 2.079 71 L HA -0.202 4.138 4.340 0.000 0.000 0.210 71 L C 2.854 179.720 176.870 -0.007 0.000 1.081 71 L CA 2.082 56.919 54.840 -0.006 0.000 0.752 71 L CB -1.219 40.835 42.059 -0.009 0.000 0.896 71 L HN 0.402 nan 8.230 nan 0.000 0.433 72 S N -1.136 114.560 115.700 -0.008 0.000 2.500 72 S HA -0.193 4.277 4.470 0.000 0.000 0.239 72 S C 1.465 176.061 174.600 -0.006 0.000 0.989 72 S CA 0.595 58.790 58.200 -0.008 0.000 0.951 72 S CB -0.472 62.722 63.200 -0.009 0.000 0.759 72 S HN 0.626 nan 8.310 nan 0.000 0.523 73 Q N 0.468 120.266 119.800 -0.005 0.000 2.444 73 Q HA 0.315 4.655 4.340 0.000 0.000 0.206 73 Q C 0.326 176.324 176.000 -0.004 0.000 0.948 73 Q CA 0.315 56.115 55.803 -0.004 0.000 0.946 73 Q CB -0.215 28.521 28.738 -0.003 0.000 1.027 73 Q HN 0.606 nan 8.270 nan 0.000 0.513 74 L N -0.166 121.054 121.223 -0.005 0.000 2.216 74 L HA 0.478 4.818 4.340 0.000 0.000 0.260 74 L C -0.681 176.185 176.870 -0.007 0.000 1.036 74 L CA -1.188 53.649 54.840 -0.005 0.000 0.914 74 L CB 1.386 43.442 42.059 -0.005 0.000 1.501 74 L HN -0.031 nan 8.230 nan 0.000 0.485 75 D N -2.704 117.692 120.400 -0.007 0.000 2.610 75 D HA 0.326 4.966 4.640 0.000 0.000 0.271 75 D C 0.396 176.691 176.300 -0.008 0.000 1.174 75 D CA -0.947 53.049 54.000 -0.008 0.000 0.949 75 D CB 1.514 42.309 40.800 -0.007 0.000 1.430 75 D HN 0.378 nan 8.370 nan 0.000 0.467 76 R N -0.235 120.260 120.500 -0.009 0.000 2.113 76 R HA -0.211 4.129 4.340 0.000 0.000 0.244 76 R C 0.683 176.978 176.300 -0.008 0.000 1.142 76 R CA 2.352 58.447 56.100 -0.009 0.000 0.953 76 R CB -0.417 29.877 30.300 -0.010 0.000 0.860 76 R HN 0.522 nan 8.270 nan 0.000 0.438 77 D N 0.208 120.604 120.400 -0.007 0.000 2.097 77 D HA -0.160 4.480 4.640 0.000 0.000 0.197 77 D C 1.801 178.097 176.300 -0.006 0.000 0.984 77 D CA 1.526 55.522 54.000 -0.006 0.000 0.826 77 D CB -0.414 40.382 40.800 -0.006 0.000 0.973 77 D HN 0.493 nan 8.370 nan 0.000 0.460 78 E N 0.918 121.114 120.200 -0.006 0.000 2.070 78 E HA -0.099 4.251 4.350 0.000 0.000 0.197 78 E C 1.166 177.763 176.600 -0.005 0.000 1.004 78 E CA 0.581 56.978 56.400 -0.005 0.000 0.805 78 E CB -0.126 29.571 29.700 -0.005 0.000 0.744 78 E HN 0.080 nan 8.360 nan 0.000 0.451 79 V N 0.000 119.910 119.914 -0.006 0.000 0.000 79 V HA 0.000 4.120 4.120 0.000 0.000 0.000 79 V CA 0.000 62.296 62.300 -0.007 0.000 0.000 79 V CB 0.000 31.818 31.823 -0.008 0.000 0.000 79 V HN 0.000 nan 8.190 nan 0.000 0.000