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 3i8i_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 0.000 177.583 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.039 52.037 0.003 0.000 0.836 2 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 3 K N -0.757 119.649 120.400 0.009 0.000 3.255 3 K HA 0.402 4.722 4.320 -0.000 0.000 0.324 3 K C 0.605 177.243 176.600 0.064 0.000 1.085 3 K CA -0.206 56.082 56.287 0.002 0.000 0.804 3 K CB -0.082 32.415 32.500 -0.005 0.000 1.480 3 K HN 0.604 nan 8.250 nan 0.000 0.406 4 H N 0.196 119.266 119.070 0.001 0.000 1.457 4 H HA -0.224 4.332 4.556 -0.000 0.000 0.090 4 H C -1.509 173.820 175.328 0.001 0.000 0.945 4 H CA 1.835 57.883 56.048 0.001 0.000 1.900 4 H CB -0.689 29.074 29.762 0.001 0.000 2.257 4 H HN 0.519 nan 8.280 nan 0.000 0.961 5 P HA 0.034 nan 4.420 nan 0.000 0.261 5 P C -0.968 176.362 177.300 0.049 0.000 1.183 5 P CA 0.483 63.615 63.100 0.054 0.000 0.761 5 P CB 0.872 32.579 31.700 0.011 0.000 0.785 6 V N 5.523 125.460 119.914 0.038 0.000 3.102 6 V HA 0.436 4.556 4.120 -0.000 0.000 0.312 6 V C -2.153 173.953 176.094 0.020 0.000 1.135 6 V CA -1.769 60.548 62.300 0.029 0.000 1.022 6 V CB 1.875 33.716 31.823 0.030 0.000 1.056 6 V HN 0.532 nan 8.190 nan 0.000 0.436 7 P HA 0.378 nan 4.420 nan 0.000 0.281 7 P C -0.038 177.269 177.300 0.012 0.000 1.252 7 P CA -0.390 62.717 63.100 0.013 0.000 0.778 7 P CB 0.839 32.546 31.700 0.011 0.000 0.895 8 K N 1.888 122.294 120.400 0.010 0.000 2.243 8 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 8 K C 0.303 176.908 176.600 0.007 0.000 1.051 8 K CA 1.360 57.653 56.287 0.009 0.000 0.970 8 K CB 0.285 32.790 32.500 0.008 0.000 0.755 8 K HN 0.178 nan 8.250 nan 0.000 0.465 9 K N 0.386 120.790 120.400 0.007 0.000 2.508 9 K HA 0.194 4.514 4.320 -0.000 0.000 0.260 9 K C -1.341 175.262 176.600 0.005 0.000 0.949 9 K CA -0.759 55.532 56.287 0.006 0.000 0.834 9 K CB 1.732 34.235 32.500 0.005 0.000 1.365 9 K HN -0.048 nan 8.250 nan 0.000 0.437 10 K N 1.110 121.513 120.400 0.004 0.000 2.355 10 K HA 0.094 4.414 4.320 -0.000 0.000 0.270 10 K C -0.161 176.441 176.600 0.003 0.000 1.003 10 K CA 0.100 56.389 56.287 0.003 0.000 0.957 10 K CB 0.521 33.023 32.500 0.002 0.000 0.939 10 K HN 0.688 nan 8.250 nan 0.000 0.482 11 T N 0.512 115.067 114.554 0.003 0.000 2.856 11 T HA 0.178 4.528 4.350 -0.000 0.000 0.292 11 T C 0.153 174.853 174.700 -0.001 0.000 0.980 11 T CA -0.798 61.303 62.100 0.002 0.000 1.091 11 T CB 1.075 69.945 68.868 0.003 0.000 0.936 11 T HN 0.588 nan 8.240 nan 0.000 0.503 12 S N 2.912 118.611 115.700 -0.001 0.000 2.568 12 S HA 0.150 4.620 4.470 -0.000 0.000 0.282 12 S C 1.134 175.730 174.600 -0.007 0.000 1.338 12 S CA -0.712 57.486 58.200 -0.003 0.000 1.045 12 S CB 0.494 63.692 63.200 -0.003 0.000 0.873 12 S HN 0.825 nan 8.310 nan 0.000 0.516 13 K N 1.691 122.086 120.400 -0.009 0.000 2.218 13 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 13 K C 2.224 178.814 176.600 -0.016 0.000 1.046 13 K CA 1.323 57.602 56.287 -0.013 0.000 0.933 13 K CB -0.596 31.896 32.500 -0.012 0.000 0.728 13 K HN 0.730 nan 8.250 nan 0.000 0.454 14 A N 1.538 124.351 122.820 -0.011 0.000 1.821 14 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 14 A C 2.059 179.636 177.584 -0.011 0.000 1.216 14 A CA 1.483 53.513 52.037 -0.011 0.000 0.615 14 A CB -0.680 18.316 19.000 -0.007 0.000 0.862 14 A HN 0.202 nan 8.150 nan 0.000 0.450 15 R N -0.356 120.141 120.500 -0.006 0.000 2.133 15 R HA -0.237 4.103 4.340 -0.000 0.000 0.247 15 R C 2.479 178.776 176.300 -0.005 0.000 1.151 15 R CA 2.030 58.130 56.100 -0.001 0.000 0.971 15 R CB -0.294 30.009 30.300 0.004 0.000 0.866 15 R HN 0.642 nan 8.270 nan 0.000 0.447 16 R N 0.457 120.948 120.500 -0.014 0.000 2.070 16 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 16 R C 1.145 177.414 176.300 -0.051 0.000 1.138 16 R CA 2.200 58.284 56.100 -0.027 0.000 0.936 16 R CB -0.291 29.992 30.300 -0.029 0.000 0.839 16 R HN 0.199 nan 8.270 nan 0.000 0.429 17 D N 0.027 120.397 120.400 -0.050 0.000 2.392 17 D HA -0.056 4.584 4.640 -0.000 0.000 0.228 17 D C 0.993 177.260 176.300 -0.056 0.000 1.003 17 D CA 1.034 54.994 54.000 -0.067 0.000 0.917 17 D CB 0.340 41.110 40.800 -0.051 0.000 0.890 17 D HN 0.472 nan 8.370 nan 0.000 0.532 18 A N 0.684 123.486 122.820 -0.030 0.000 2.308 18 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 18 A C 1.919 179.520 177.584 0.027 0.000 1.216 18 A CA -0.072 51.958 52.037 -0.011 0.000 0.864 18 A CB -0.039 18.960 19.000 -0.001 0.000 0.902 18 A HN 0.211 nan 8.150 nan 0.000 0.499 19 R N -1.152 119.366 120.500 0.031 0.000 2.365 19 R HA 0.245 4.585 4.340 -0.000 0.000 0.223 19 R C 1.134 177.544 176.300 0.182 0.000 0.899 19 R CA 0.121 56.298 56.100 0.128 0.000 1.059 19 R CB -0.094 30.265 30.300 0.098 0.000 1.086 19 R HN 0.240 nan 8.270 nan 0.000 0.522 20 R N 0.946 121.412 120.500 -0.058 0.000 2.334 20 R HA 0.094 4.434 4.340 -0.000 0.000 0.216 20 R C 1.335 177.659 176.300 0.040 0.000 0.905 20 R CA 0.638 56.553 56.100 -0.308 0.000 1.064 20 R CB 0.574 30.531 30.300 -0.571 0.000 1.046 20 R HN 0.333 nan 8.270 nan 0.000 0.508 21 S N 0.172 115.872 115.700 -0.000 0.000 2.528 21 S HA -0.152 4.318 4.470 -0.000 0.000 0.244 21 S C 1.147 175.618 174.600 -0.215 0.000 0.982 21 S CA 0.873 58.988 58.200 -0.141 0.000 0.953 21 S CB -0.321 62.726 63.200 -0.254 0.000 0.754 21 S HN 0.445 nan 8.310 nan 0.000 0.529 22 H N -0.811 118.371 119.070 0.188 0.000 2.874 22 H HA 0.202 4.758 4.556 -0.000 0.000 0.264 22 H C 0.934 176.340 175.328 0.130 0.000 1.007 22 H CA 0.409 56.536 56.048 0.131 0.000 1.207 22 H CB -0.131 29.675 29.762 0.073 0.000 1.487 22 H HN 0.524 nan 8.280 nan 0.000 0.505 23 H N 1.516 120.645 119.070 0.099 0.000 2.561 23 H HA 0.139 4.695 4.556 -0.000 0.000 0.278 23 H C 1.089 176.438 175.328 0.036 0.000 1.014 23 H CA 0.392 56.476 56.048 0.059 0.000 1.211 23 H CB -0.229 29.558 29.762 0.042 0.000 1.365 23 H HN 0.230 nan 8.280 nan 0.000 0.594 24 A N 1.548 124.454 122.820 0.144 0.000 2.532 24 A HA -0.022 4.298 4.320 -0.000 0.000 0.269 24 A C 0.498 178.117 177.584 0.057 0.000 1.079 24 A CA 0.056 52.138 52.037 0.075 0.000 0.800 24 A CB -0.842 18.185 19.000 0.045 0.000 1.000 24 A HN 0.442 nan 8.150 nan 0.000 0.522 25 L N 2.940 124.192 121.223 0.049 0.000 2.456 25 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 25 L C 1.264 178.149 176.870 0.025 0.000 1.189 25 L CA 0.276 55.136 54.840 0.033 0.000 0.846 25 L CB 0.924 43.001 42.059 0.030 0.000 1.111 25 L HN 0.858 nan 8.230 nan 0.000 0.475 26 T N 3.292 117.858 114.554 0.020 0.000 2.829 26 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 26 T C -2.053 172.656 174.700 0.015 0.000 0.990 26 T CA -1.575 60.536 62.100 0.017 0.000 1.028 26 T CB 1.428 70.306 68.868 0.016 0.000 0.951 26 T HN 0.463 nan 8.240 nan 0.000 0.460 27 P HA 0.284 nan 4.420 nan 0.000 0.269 27 P C -2.488 174.821 177.300 0.014 0.000 1.215 27 P CA -1.085 62.023 63.100 0.013 0.000 0.780 27 P CB -0.392 31.315 31.700 0.013 0.000 0.898 28 P HA 0.059 nan 4.420 nan 0.000 0.276 28 P C -0.180 177.131 177.300 0.018 0.000 1.230 28 P CA -0.005 63.105 63.100 0.015 0.000 0.776 28 P CB 0.403 32.112 31.700 0.014 0.000 0.888 29 T N 2.860 117.427 114.554 0.022 0.000 2.729 29 T HA 0.533 4.883 4.350 -0.000 0.000 0.296 29 T C -0.145 174.574 174.700 0.031 0.000 0.928 29 T CA -0.441 61.675 62.100 0.027 0.000 1.045 29 T CB -0.515 68.372 68.868 0.032 0.000 0.902 29 T HN 0.252 nan 8.240 nan 0.000 0.500 30 L N 4.010 125.249 121.223 0.027 0.000 2.309 30 L HA 0.909 5.249 4.340 -0.000 0.000 0.261 30 L C -0.216 176.668 176.870 0.023 0.000 1.021 30 L CA -1.533 53.322 54.840 0.025 0.000 0.823 30 L CB 2.170 44.240 42.059 0.019 0.000 1.366 30 L HN 0.629 nan 8.230 nan 0.000 0.423 31 V N -2.328 117.597 119.914 0.019 0.000 3.102 31 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 31 V C -2.854 173.245 176.094 0.008 0.000 1.135 31 V CA -2.583 59.724 62.300 0.012 0.000 1.022 31 V CB 1.897 33.724 31.823 0.007 0.000 1.056 31 V HN 0.525 nan 8.190 nan 0.000 0.436 32 P HA 0.313 nan 4.420 nan 0.000 0.281 32 P C -0.441 176.861 177.300 0.003 0.000 1.252 32 P CA -0.190 62.913 63.100 0.005 0.000 0.778 32 P CB 0.714 32.417 31.700 0.005 0.000 0.895 33 C N 7.712 127.014 119.300 0.004 0.000 2.629 33 C HA 0.163 4.623 4.460 -0.000 0.000 0.410 33 C C -0.519 174.474 174.990 0.006 0.000 1.339 33 C CA -1.596 57.423 59.018 0.002 0.000 1.810 33 C CB -0.589 27.151 27.740 0.001 0.000 2.549 33 C HN 0.568 nan 8.230 nan 0.000 0.589 34 P HA -0.196 nan 4.420 nan 0.000 0.212 34 P C 1.181 178.496 177.300 0.025 0.000 1.174 34 P CA 1.809 64.925 63.100 0.026 0.000 0.934 34 P CB 0.055 31.790 31.700 0.058 0.000 0.791 35 E N 0.031 120.245 120.200 0.023 0.000 2.223 35 E HA -0.079 4.271 4.350 -0.000 0.000 0.267 35 E C 1.167 177.775 176.600 0.012 0.000 0.857 35 E CA 0.590 57.002 56.400 0.021 0.000 1.467 35 E CB -1.293 28.418 29.700 0.018 0.000 0.965 35 E HN 0.338 nan 8.360 nan 0.000 0.591 36 C N 1.625 120.930 119.300 0.008 0.000 2.624 36 C HA -0.056 4.404 4.460 -0.000 0.000 0.396 36 C C 1.287 176.281 174.990 0.006 0.000 1.305 36 C CA 0.026 59.048 59.018 0.006 0.000 1.728 36 C CB -0.960 26.782 27.740 0.004 0.000 2.628 36 C HN 0.539 nan 8.230 nan 0.000 0.622 37 K N 0.555 120.958 120.400 0.005 0.000 2.596 37 K HA 0.522 4.842 4.320 -0.000 0.000 0.211 37 K C 0.246 176.849 176.600 0.005 0.000 1.046 37 K CA 0.428 56.718 56.287 0.005 0.000 1.202 37 K CB -0.147 32.356 32.500 0.005 0.000 0.925 37 K HN 0.831 nan 8.250 nan 0.000 0.486 38 A N 0.813 123.636 122.820 0.004 0.000 2.269 38 A HA 0.660 4.980 4.320 -0.000 0.000 0.319 38 A C -0.351 177.236 177.584 0.005 0.000 1.110 38 A CA -0.890 51.150 52.037 0.004 0.000 0.847 38 A CB 0.463 19.465 19.000 0.003 0.000 1.161 38 A HN 0.269 nan 8.150 nan 0.000 0.497 39 M N 0.510 120.113 119.600 0.006 0.000 2.314 39 M HA 0.517 4.997 4.480 -0.000 0.000 0.342 39 M C -0.551 175.754 176.300 0.008 0.000 1.171 39 M CA -0.015 55.289 55.300 0.007 0.000 1.098 39 M CB 1.021 33.626 32.600 0.008 0.000 1.559 39 M HN 0.693 nan 8.290 nan 0.000 0.459 40 K N 1.991 122.397 120.400 0.010 0.000 2.556 40 K HA 0.601 4.921 4.320 -0.000 0.000 0.274 40 K C -2.680 173.931 176.600 0.019 0.000 0.966 40 K CA -1.205 55.089 56.287 0.012 0.000 0.865 40 K CB 2.187 34.693 32.500 0.009 0.000 1.444 40 K HN 0.318 nan 8.250 nan 0.000 0.433 41 P HA 0.250 nan 4.420 nan 0.000 0.278 41 P C -2.541 174.790 177.300 0.053 0.000 1.238 41 P CA -1.540 61.585 63.100 0.040 0.000 0.794 41 P CB 0.546 32.270 31.700 0.040 0.000 0.955 42 P HA -0.091 nan 4.420 nan 0.000 0.276 42 P C 0.302 177.677 177.300 0.125 0.000 1.264 42 P CA 0.345 63.484 63.100 0.065 0.000 0.815 42 P CB -0.388 31.424 31.700 0.186 0.000 1.121 43 H N -2.771 116.333 119.070 0.057 0.000 2.379 43 H HA -0.163 4.393 4.556 -0.000 0.000 0.326 43 H C -0.092 175.265 175.328 0.048 0.000 1.005 43 H CA 1.215 57.304 56.048 0.068 0.000 1.114 43 H CB -2.115 27.676 29.762 0.048 0.000 1.505 43 H HN 0.435 nan 8.280 nan 0.000 0.391 44 T N -3.735 110.878 114.554 0.099 0.000 3.032 44 T HA 0.373 4.723 4.350 -0.000 0.000 0.312 44 T C 0.053 174.759 174.700 0.009 0.000 1.078 44 T CA -0.890 61.235 62.100 0.040 0.000 1.028 44 T CB 2.025 70.915 68.868 0.036 0.000 1.091 44 T HN 0.002 nan 8.240 nan 0.000 0.457 45 V N 2.883 122.752 119.914 -0.076 0.000 2.500 45 V HA -0.010 4.110 4.120 -0.000 0.000 0.267 45 V C 1.134 177.208 176.094 -0.034 0.000 0.977 45 V CA -0.271 61.968 62.300 -0.101 0.000 1.151 45 V CB -1.559 30.149 31.823 -0.191 0.000 1.013 45 V HN 1.109 nan 8.190 nan 0.000 0.467 46 C N 9.837 129.139 119.300 0.003 0.000 2.601 46 C HA 0.075 4.535 4.460 -0.000 0.000 0.405 46 C C 0.400 175.385 174.990 -0.008 0.000 1.441 46 C CA -0.903 58.116 59.018 0.001 0.000 1.555 46 C CB -0.239 27.505 27.740 0.007 0.000 2.450 46 C HN 0.765 nan 8.230 nan 0.000 0.614 47 P HA -0.258 nan 4.420 nan 0.000 0.228 47 P C 0.126 177.421 177.300 -0.009 0.000 1.155 47 P CA 1.737 64.831 63.100 -0.010 0.000 0.873 47 P CB 0.232 31.929 31.700 -0.006 0.000 0.769 48 E N -1.762 118.434 120.200 -0.007 0.000 2.580 48 E HA 0.369 4.719 4.350 -0.000 0.000 0.248 48 E C -1.143 175.454 176.600 -0.004 0.000 1.018 48 E CA -0.601 55.796 56.400 -0.005 0.000 0.775 48 E CB 0.155 29.854 29.700 -0.002 0.000 1.378 48 E HN 0.003 nan 8.360 nan 0.000 0.401 49 C N 3.619 122.915 119.300 -0.006 0.000 2.738 49 C HA -0.087 4.373 4.460 -0.000 0.000 0.270 49 C C 0.681 175.665 174.990 -0.010 0.000 1.049 49 C CA 0.979 59.995 59.018 -0.004 0.000 2.684 49 C CB -1.234 26.507 27.740 0.002 0.000 1.606 49 C HN 0.886 nan 8.230 nan 0.000 0.416 50 G N 1.650 110.444 108.800 -0.011 0.000 4.142 50 G HA2 0.574 4.534 3.960 -0.000 0.000 0.310 50 G HA3 0.574 4.534 3.960 -0.000 0.000 0.310 50 G C -1.012 173.901 174.900 0.023 0.000 1.384 50 G CA -0.068 45.022 45.100 -0.017 0.000 0.838 50 G HN 0.741 nan 8.290 nan 0.000 0.512 51 Y N -0.166 119.900 120.300 -0.391 0.000 3.042 51 Y HA 0.374 4.924 4.550 -0.000 0.000 0.411 51 Y C -1.852 173.677 175.900 -0.618 0.000 1.167 51 Y CA -1.419 56.255 58.100 -0.710 0.000 1.206 51 Y CB 1.064 39.295 38.460 -0.381 0.000 1.677 51 Y HN 0.457 nan 8.280 nan 0.000 0.465 52 Y N -0.139 120.186 120.300 0.041 0.000 2.583 52 Y HA 0.838 5.388 4.550 -0.000 0.000 0.303 52 Y C -0.112 175.831 175.900 0.071 0.000 1.108 52 Y CA -0.583 57.529 58.100 0.020 0.000 1.252 52 Y CB 0.628 39.041 38.460 -0.077 0.000 1.114 52 Y HN 1.041 nan 8.280 nan 0.000 0.594 53 A N 0.464 123.467 122.820 0.304 0.000 3.438 53 A HA 0.479 4.799 4.320 -0.000 0.000 0.089 53 A C 0.590 178.283 177.584 0.181 0.000 1.331 53 A CA -0.157 52.028 52.037 0.247 0.000 1.443 53 A CB -1.094 18.090 19.000 0.306 0.000 1.232 53 A HN 1.134 nan 8.150 nan 0.000 0.553 54 G N 0.950 109.855 108.800 0.176 0.000 2.335 54 G HA2 0.459 4.419 3.960 -0.000 0.000 0.268 54 G HA3 0.459 4.419 3.960 -0.000 0.000 0.268 54 G C 0.321 175.215 174.900 -0.010 0.000 1.228 54 G CA 0.803 45.926 45.100 0.039 0.000 0.968 54 G HN 1.072 nan 8.290 nan 0.000 0.459 55 R N 2.485 122.985 120.500 -0.000 0.000 3.958 55 R HA -0.182 4.158 4.340 -0.000 0.000 0.186 55 R C 1.863 178.129 176.300 -0.057 0.000 0.520 55 R CA 0.587 56.679 56.100 -0.013 0.000 0.917 55 R CB 0.345 30.634 30.300 -0.018 0.000 1.014 55 R HN 0.576 nan 8.270 nan 0.000 0.296 56 K N 4.264 124.647 120.400 -0.028 0.000 2.616 56 K HA -0.061 4.259 4.320 -0.000 0.000 0.192 56 K C 0.873 177.438 176.600 -0.059 0.000 1.031 56 K CA 0.781 57.033 56.287 -0.058 0.000 1.004 56 K CB -0.449 32.059 32.500 0.014 0.000 0.810 56 K HN 0.488 nan 8.250 nan 0.000 0.497 57 V N 1.206 121.092 119.914 -0.047 0.000 3.078 57 V HA -0.272 3.848 4.120 -0.000 0.000 0.168 57 V C 0.139 176.217 176.094 -0.026 0.000 0.466 57 V CA 0.999 63.276 62.300 -0.037 0.000 1.138 57 V CB -1.586 30.207 31.823 -0.050 0.000 1.308 57 V HN 0.539 nan 8.190 nan 0.000 1.101 58 L N -0.535 120.678 121.223 -0.018 0.000 2.557 58 L HA 0.090 4.430 4.340 -0.000 0.000 0.308 58 L C 1.230 178.095 176.870 -0.008 0.000 1.283 58 L CA 0.627 55.460 54.840 -0.010 0.000 0.847 58 L CB -0.272 41.786 42.059 -0.002 0.000 1.088 58 L HN 0.346 nan 8.230 nan 0.000 0.537 59 E N 0.541 120.737 120.200 -0.006 0.000 3.079 59 E HA 0.039 4.389 4.350 -0.000 0.000 0.267 59 E C 0.023 176.622 176.600 -0.002 0.000 1.509 59 E CA 0.009 56.406 56.400 -0.004 0.000 1.630 59 E CB -0.156 29.542 29.700 -0.003 0.000 1.373 59 E HN 0.527 nan 8.360 nan 0.000 0.439 60 V N 0.000 119.913 119.914 -0.002 0.000 0.000 60 V HA 0.000 4.120 4.120 -0.000 0.000 0.000 60 V CA 0.000 62.300 62.300 0.000 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