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 2wdl_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 0.000 177.587 177.584 0.005 0.000 1.274 2 A CA 0.000 52.041 52.037 0.007 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 K N -1.595 118.816 120.400 0.019 0.000 2.228 3 K HA 0.589 4.909 4.320 0.000 0.000 0.261 3 K C 0.921 177.566 176.600 0.074 0.000 0.941 3 K CA -0.308 55.992 56.287 0.022 0.000 0.792 3 K CB -0.104 32.411 32.500 0.026 0.000 1.495 3 K HN 0.246 nan 8.250 nan 0.000 0.387 4 H N 0.232 119.303 119.070 0.002 0.000 2.760 4 H HA -0.144 4.412 4.556 0.000 0.000 0.231 4 H C -1.275 174.055 175.328 0.003 0.000 1.018 4 H CA 1.831 57.880 56.048 0.002 0.000 1.430 4 H CB -0.595 29.168 29.762 0.002 0.000 1.930 4 H HN 0.390 nan 8.280 nan 0.000 0.981 5 P HA 0.120 nan 4.420 nan 0.000 0.271 5 P C -1.172 176.157 177.300 0.049 0.000 1.216 5 P CA 0.300 63.428 63.100 0.047 0.000 0.771 5 P CB 1.612 33.312 31.700 -0.000 0.000 0.864 6 V N 4.389 124.326 119.914 0.038 0.000 3.049 6 V HA 0.449 4.569 4.120 0.000 0.000 0.309 6 V C -2.312 173.794 176.094 0.020 0.000 1.148 6 V CA -1.907 60.411 62.300 0.030 0.000 0.990 6 V CB 2.011 33.853 31.823 0.032 0.000 1.039 6 V HN 0.615 nan 8.190 nan 0.000 0.430 7 P HA 0.262 nan 4.420 nan 0.000 0.268 7 P C -0.388 176.919 177.300 0.011 0.000 1.205 7 P CA -0.194 62.913 63.100 0.012 0.000 0.771 7 P CB 1.125 32.831 31.700 0.011 0.000 0.858 8 K N 1.350 121.756 120.400 0.009 0.000 2.323 8 K HA 0.092 4.412 4.320 0.000 0.000 0.197 8 K C 0.317 176.921 176.600 0.006 0.000 1.043 8 K CA 0.959 57.251 56.287 0.008 0.000 0.997 8 K CB 0.350 32.855 32.500 0.007 0.000 0.807 8 K HN 0.237 nan 8.250 nan 0.000 0.497 9 K N 0.709 121.112 120.400 0.005 0.000 2.523 9 K HA 0.132 4.452 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 -0.714 55.575 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 -0.040 nan 8.250 nan 0.000 0.433 10 K N 1.926 122.327 120.400 0.002 0.000 2.419 10 K HA 0.060 4.380 4.320 0.000 0.000 0.282 10 K C -0.607 175.992 176.600 -0.001 0.000 1.056 10 K CA 0.352 56.639 56.287 0.000 0.000 1.035 10 K CB 0.220 32.720 32.500 -0.001 0.000 0.921 10 K HN 0.425 nan 8.250 nan 0.000 0.472 11 T N 3.730 118.283 114.554 -0.002 0.000 2.792 11 T HA -0.050 4.300 4.350 0.000 0.000 0.286 11 T C 0.261 174.957 174.700 -0.007 0.000 0.970 11 T CA 0.053 62.151 62.100 -0.003 0.000 1.187 11 T CB 0.028 68.894 68.868 -0.004 0.000 0.915 11 T HN 0.749 nan 8.240 nan 0.000 0.529 12 S N 3.609 119.305 115.700 -0.007 0.000 2.542 12 S HA -0.021 4.449 4.470 0.000 0.000 0.287 12 S C 1.343 175.935 174.600 -0.013 0.000 1.315 12 S CA -0.429 57.765 58.200 -0.009 0.000 1.037 12 S CB 0.647 63.842 63.200 -0.008 0.000 0.822 12 S HN 0.713 nan 8.310 nan 0.000 0.513 13 K N 2.012 122.404 120.400 -0.014 0.000 2.063 13 K HA -0.155 4.165 4.320 0.000 0.000 0.208 13 K C 2.480 179.066 176.600 -0.024 0.000 1.048 13 K CA 1.381 57.656 56.287 -0.019 0.000 0.928 13 K CB -0.784 31.706 32.500 -0.018 0.000 0.713 13 K HN 0.729 nan 8.250 nan 0.000 0.442 14 A N 1.989 124.797 122.820 -0.020 0.000 1.837 14 A HA -0.244 4.077 4.320 0.000 0.000 0.216 14 A C 2.150 179.718 177.584 -0.025 0.000 1.210 14 A CA 1.883 53.907 52.037 -0.022 0.000 0.632 14 A CB -0.760 18.230 19.000 -0.016 0.000 0.843 14 A HN 0.258 nan 8.150 nan 0.000 0.448 15 R N -0.371 120.118 120.500 -0.019 0.000 2.211 15 R HA -0.194 4.146 4.340 0.000 0.000 0.240 15 R C 2.391 178.676 176.300 -0.025 0.000 1.144 15 R CA 1.668 57.757 56.100 -0.018 0.000 0.992 15 R CB -0.252 30.043 30.300 -0.008 0.000 0.869 15 R HN 0.665 nan 8.270 nan 0.000 0.462 16 R N 0.376 120.858 120.500 -0.030 0.000 2.070 16 R HA -0.140 4.200 4.340 0.000 0.000 0.232 16 R C 1.311 177.569 176.300 -0.070 0.000 1.138 16 R CA 2.138 58.212 56.100 -0.042 0.000 0.936 16 R CB -0.263 30.014 30.300 -0.040 0.000 0.839 16 R HN 0.212 nan 8.270 nan 0.000 0.429 17 D N 0.528 120.887 120.400 -0.069 0.000 2.144 17 D HA -0.116 4.524 4.640 0.000 0.000 0.200 17 D C 1.843 178.086 176.300 -0.094 0.000 0.978 17 D CA 1.434 55.380 54.000 -0.091 0.000 0.833 17 D CB -0.249 40.510 40.800 -0.069 0.000 0.961 17 D HN 0.467 nan 8.370 nan 0.000 0.470 18 A N 1.403 124.182 122.820 -0.068 0.000 1.986 18 A HA -0.242 4.078 4.320 0.000 0.000 0.220 18 A C 2.175 179.716 177.584 -0.072 0.000 1.171 18 A CA 1.855 53.851 52.037 -0.067 0.000 0.640 18 A CB -0.598 18.377 19.000 -0.040 0.000 0.811 18 A HN 0.210 nan 8.150 nan 0.000 0.451 19 R N -0.222 120.247 120.500 -0.052 0.000 2.115 19 R HA -0.025 4.315 4.340 0.000 0.000 0.226 19 R C 1.761 178.054 176.300 -0.011 0.000 1.100 19 R CA 1.271 57.369 56.100 -0.003 0.000 0.980 19 R CB -0.234 30.073 30.300 0.011 0.000 0.875 19 R HN 0.463 nan 8.270 nan 0.000 0.445 20 R N 0.403 120.797 120.500 -0.177 0.000 2.323 20 R HA 0.029 4.369 4.340 0.000 0.000 0.198 20 R C 1.995 178.248 176.300 -0.078 0.000 0.988 20 R CA 0.574 56.446 56.100 -0.380 0.000 1.041 20 R CB -0.005 29.987 30.300 -0.513 0.000 0.926 20 R HN 0.226 nan 8.270 nan 0.000 0.476 21 S N 1.097 116.713 115.700 -0.140 0.000 2.378 21 S HA -0.220 4.250 4.470 0.000 0.000 0.229 21 S C 1.464 175.940 174.600 -0.206 0.000 1.052 21 S CA 1.315 59.360 58.200 -0.258 0.000 1.084 21 S CB -0.147 62.752 63.200 -0.502 0.000 0.950 21 S HN 0.483 nan 8.310 nan 0.000 0.440 22 H N -0.742 118.423 119.070 0.158 0.000 2.543 22 H HA 0.150 4.706 4.556 0.000 0.000 0.269 22 H C 0.835 176.232 175.328 0.114 0.000 1.005 22 H CA 0.582 56.699 56.048 0.115 0.000 1.146 22 H CB -0.421 29.375 29.762 0.057 0.000 1.353 22 H HN 0.580 nan 8.280 nan 0.000 0.595 23 H N 0.500 119.606 119.070 0.060 0.000 2.543 23 H HA 0.261 4.817 4.556 0.000 0.000 0.269 23 H C 0.947 176.293 175.328 0.029 0.000 1.005 23 H CA 0.171 56.245 56.048 0.043 0.000 1.146 23 H CB 0.010 29.785 29.762 0.022 0.000 1.353 23 H HN 0.266 nan 8.280 nan 0.000 0.595 24 A N 1.307 124.206 122.820 0.131 0.000 2.553 24 A HA 0.046 4.366 4.320 0.000 0.000 0.258 24 A C 0.361 177.978 177.584 0.055 0.000 1.069 24 A CA -0.036 52.047 52.037 0.076 0.000 0.767 24 A CB -0.560 18.476 19.000 0.061 0.000 0.997 24 A HN 0.454 nan 8.150 nan 0.000 0.512 25 L N 3.432 124.683 121.223 0.045 0.000 2.380 25 L HA 0.348 4.688 4.340 0.000 0.000 0.273 25 L C 1.069 177.953 176.870 0.023 0.000 1.138 25 L CA -0.191 54.666 54.840 0.029 0.000 0.832 25 L CB 1.158 43.234 42.059 0.028 0.000 1.124 25 L HN 0.883 nan 8.230 nan 0.000 0.454 26 T N 1.968 116.532 114.554 0.016 0.000 2.875 26 T HA 0.560 4.910 4.350 0.000 0.000 0.284 26 T C -2.186 172.521 174.700 0.012 0.000 0.995 26 T CA -1.580 60.529 62.100 0.015 0.000 1.060 26 T CB 1.236 70.112 68.868 0.012 0.000 0.967 26 T HN 0.446 nan 8.240 nan 0.000 0.476 27 P HA 0.267 nan 4.420 nan 0.000 0.271 27 P C -2.313 174.992 177.300 0.009 0.000 1.216 27 P CA -1.098 62.008 63.100 0.009 0.000 0.776 27 P CB -0.377 31.328 31.700 0.009 0.000 0.881 28 P HA 0.006 nan 4.420 nan 0.000 0.266 28 P C 0.009 177.315 177.300 0.010 0.000 1.195 28 P CA 0.161 63.266 63.100 0.008 0.000 0.768 28 P CB 0.183 31.886 31.700 0.005 0.000 0.838 29 T N 2.291 116.853 114.554 0.014 0.000 2.761 29 T HA 0.519 4.869 4.350 0.000 0.000 0.296 29 T C -0.170 174.541 174.700 0.019 0.000 0.934 29 T CA -0.479 61.632 62.100 0.019 0.000 1.091 29 T CB -0.227 68.657 68.868 0.026 0.000 0.896 29 T HN 0.278 nan 8.240 nan 0.000 0.515 30 L N 3.922 125.153 121.223 0.014 0.000 2.350 30 L HA 0.874 5.214 4.340 0.000 0.000 0.260 30 L C -0.277 176.596 176.870 0.006 0.000 1.015 30 L CA -1.382 53.462 54.840 0.007 0.000 0.821 30 L CB 2.432 44.491 42.059 0.001 0.000 1.370 30 L HN 0.741 nan 8.230 nan 0.000 0.416 31 V N -1.448 118.463 119.914 -0.004 0.000 3.182 31 V HA 0.664 4.784 4.120 0.000 0.000 0.308 31 V C -2.878 173.206 176.094 -0.017 0.000 1.240 31 V CA -1.699 60.597 62.300 -0.008 0.000 1.063 31 V CB 1.742 33.558 31.823 -0.011 0.000 1.076 31 V HN 0.474 nan 8.190 nan 0.000 0.446 32 P HA 0.348 nan 4.420 nan 0.000 0.313 32 P C -0.570 176.713 177.300 -0.029 0.000 1.419 32 P CA 0.294 63.384 63.100 -0.017 0.000 0.842 32 P CB 0.225 31.921 31.700 -0.008 0.000 2.041 33 C N -1.677 117.611 119.300 -0.021 0.000 3.198 33 C HA 0.286 4.746 4.460 0.000 0.000 0.438 33 C C -1.920 173.071 174.990 0.002 0.000 0.952 33 C CA -0.960 58.040 59.018 -0.029 0.000 1.216 33 C CB -0.440 27.273 27.740 -0.045 0.000 1.594 33 C HN 0.364 nan 8.230 nan 0.000 0.598 34 P HA -0.136 nan 4.420 nan 0.000 0.207 34 P C -0.153 177.177 177.300 0.049 0.000 1.115 34 P CA 1.582 64.723 63.100 0.069 0.000 0.956 34 P CB 0.139 31.935 31.700 0.161 0.000 0.774 35 E N -0.385 119.847 120.200 0.053 0.000 2.052 35 E HA 0.312 4.662 4.350 0.000 0.000 0.283 35 E C -0.464 176.141 176.600 0.008 0.000 1.071 35 E CA 0.101 56.522 56.400 0.035 0.000 0.851 35 E CB -0.010 29.717 29.700 0.044 0.000 1.066 35 E HN 0.194 nan 8.360 nan 0.000 0.396 36 C N 1.638 120.941 119.300 0.004 0.000 1.963 36 C HA -0.076 4.384 4.460 0.000 0.000 0.215 36 C C 1.034 176.020 174.990 -0.007 0.000 0.986 36 C CA -0.852 58.162 59.018 -0.007 0.000 1.017 36 C CB 0.138 27.865 27.740 -0.020 0.000 1.610 36 C HN 0.918 nan 8.230 nan 0.000 0.645 37 K N 1.645 122.040 120.400 -0.008 0.000 2.426 37 K HA 0.509 4.829 4.320 0.000 0.000 0.193 37 K C 0.837 177.429 176.600 -0.013 0.000 1.028 37 K CA 0.909 57.191 56.287 -0.008 0.000 1.047 37 K CB 0.147 32.644 32.500 -0.006 0.000 0.821 37 K HN 1.366 nan 8.250 nan 0.000 0.513 38 A N 1.607 124.416 122.820 -0.019 0.000 2.671 38 A HA -0.070 4.250 4.320 0.000 0.000 0.227 38 A C 0.406 177.974 177.584 -0.028 0.000 1.122 38 A CA 0.565 52.585 52.037 -0.027 0.000 0.846 38 A CB -0.079 18.896 19.000 -0.040 0.000 1.001 38 A HN 0.424 nan 8.150 nan 0.000 0.506 39 M N 1.686 121.268 119.600 -0.029 0.000 3.062 39 M HA 0.172 4.652 4.480 0.000 0.000 0.270 39 M C -0.051 176.229 176.300 -0.033 0.000 1.270 39 M CA -0.014 55.271 55.300 -0.026 0.000 0.702 39 M CB -0.114 32.476 32.600 -0.017 0.000 1.398 39 M HN 0.705 nan 8.290 nan 0.000 0.490 40 K N 1.754 122.124 120.400 -0.050 0.000 2.230 40 K HA 0.345 4.665 4.320 0.000 0.000 0.253 40 K C -2.278 174.297 176.600 -0.042 0.000 1.008 40 K CA -1.195 55.056 56.287 -0.060 0.000 0.910 40 K CB 0.051 32.488 32.500 -0.105 0.000 0.994 40 K HN 0.162 nan 8.250 nan 0.000 0.495 41 P HA 0.194 nan 4.420 nan 0.000 0.282 41 P C -2.606 174.696 177.300 0.002 0.000 1.259 41 P CA -1.996 61.103 63.100 -0.002 0.000 0.826 41 P CB 0.480 32.186 31.700 0.009 0.000 1.064 42 P HA -0.082 nan 4.420 nan 0.000 0.268 42 P C 0.068 177.448 177.300 0.132 0.000 1.208 42 P CA 0.768 63.892 63.100 0.040 0.000 0.777 42 P CB -0.129 31.669 31.700 0.164 0.000 0.875 43 H N -1.603 117.482 119.070 0.025 0.000 2.826 43 H HA -0.094 4.462 4.556 0.000 0.000 0.306 43 H C 0.285 175.631 175.328 0.030 0.000 1.235 43 H CA 1.087 57.168 56.048 0.055 0.000 1.150 43 H CB -2.314 27.479 29.762 0.052 0.000 1.409 43 H HN 0.582 nan 8.280 nan 0.000 0.420 44 T N -2.520 112.030 114.554 -0.007 0.000 2.544 44 T HA 0.790 5.140 4.350 0.000 0.000 0.244 44 T C 0.384 174.925 174.700 -0.265 0.000 0.829 44 T CA -0.161 61.906 62.100 -0.056 0.000 1.210 44 T CB 2.401 71.242 68.868 -0.045 0.000 1.487 44 T HN 0.077 nan 8.240 nan 0.000 0.488 45 V N -0.650 119.117 119.914 -0.244 0.000 3.264 45 V HA 0.748 4.868 4.120 0.000 0.000 0.294 45 V C -1.323 174.652 176.094 -0.197 0.000 1.429 45 V CA -1.045 61.040 62.300 -0.359 0.000 1.053 45 V CB 1.713 33.407 31.823 -0.215 0.000 1.128 45 V HN 1.355 nan 8.190 nan 0.000 0.452 46 C N 2.390 121.585 119.300 -0.176 0.000 3.199 46 C HA 0.533 4.993 4.460 0.000 0.000 0.392 46 C C -2.366 172.578 174.990 -0.076 0.000 1.050 46 C CA -0.738 58.218 59.018 -0.104 0.000 1.222 46 C CB 1.879 29.563 27.740 -0.092 0.000 1.595 46 C HN 0.850 nan 8.230 nan 0.000 0.560 47 P HA -0.188 nan 4.420 nan 0.000 0.173 47 P C 0.086 177.367 177.300 -0.032 0.000 1.151 47 P CA 1.809 64.888 63.100 -0.035 0.000 0.878 47 P CB -0.047 31.636 31.700 -0.028 0.000 1.313 48 E N -3.129 117.046 120.200 -0.040 0.000 4.124 48 E HA 0.044 4.394 4.350 0.000 0.000 0.177 48 E C 1.382 177.959 176.600 -0.037 0.000 1.238 48 E CA 0.162 56.543 56.400 -0.032 0.000 0.753 48 E CB -1.105 28.577 29.700 -0.031 0.000 2.870 48 E HN -0.017 nan 8.360 nan 0.000 0.580 49 C N 2.171 121.445 119.300 -0.042 0.000 2.343 49 C HA 0.083 4.543 4.460 0.000 0.000 0.324 49 C C 1.960 176.914 174.990 -0.061 0.000 1.423 49 C CA 0.075 59.067 59.018 -0.043 0.000 1.797 49 C CB -2.189 25.522 27.740 -0.047 0.000 1.719 49 C HN 0.782 nan 8.230 nan 0.000 0.582 50 G N 0.325 109.081 108.800 -0.075 0.000 2.690 50 G HA2 -0.300 3.660 3.960 0.000 0.000 0.362 50 G HA3 -0.300 3.660 3.960 0.000 0.000 0.362 50 G C -0.006 174.813 174.900 -0.135 0.000 1.132 50 G CA 1.618 46.672 45.100 -0.076 0.000 0.922 50 G HN 0.693 nan 8.290 nan 0.000 0.595 51 Y N -1.859 118.307 120.300 -0.223 0.000 3.008 51 Y HA 0.547 5.097 4.550 0.000 0.000 0.306 51 Y C -0.664 174.996 175.900 -0.401 0.000 1.643 51 Y CA -0.898 56.922 58.100 -0.467 0.000 1.087 51 Y CB 0.214 38.255 38.460 -0.699 0.000 1.760 51 Y HN 0.640 nan 8.280 nan 0.000 0.438 52 Y N 0.542 120.985 120.300 0.237 0.000 2.452 52 Y HA 0.513 5.063 4.550 0.000 0.000 0.348 52 Y C 0.735 176.662 175.900 0.045 0.000 0.985 52 Y CA -1.113 57.042 58.100 0.092 0.000 1.214 52 Y CB 0.077 38.569 38.460 0.053 0.000 1.136 52 Y HN 0.704 nan 8.280 nan 0.000 0.523 53 A N 1.935 124.805 122.820 0.083 0.000 2.799 53 A HA -0.155 4.165 4.320 0.000 0.000 0.287 53 A C 0.915 178.492 177.584 -0.011 0.000 1.484 53 A CA 0.872 52.936 52.037 0.045 0.000 0.813 53 A CB -1.899 17.144 19.000 0.071 0.000 1.009 53 A HN 1.452 nan 8.150 nan 0.000 0.545 54 G N -1.420 107.353 108.800 -0.044 0.000 2.504 54 G HA2 0.527 4.487 3.960 0.000 0.000 0.288 54 G HA3 0.527 4.487 3.960 0.000 0.000 0.288 54 G C 0.083 174.985 174.900 0.002 0.000 1.182 54 G CA -0.272 44.803 45.100 -0.043 0.000 0.894 54 G HN 0.685 nan 8.290 nan 0.000 0.521 55 R N 0.357 120.868 120.500 0.018 0.000 2.726 55 R HA 0.471 4.811 4.340 0.000 0.000 0.272 55 R C 0.697 177.004 176.300 0.011 0.000 1.097 55 R CA 0.089 56.198 56.100 0.014 0.000 1.198 55 R CB 0.439 30.749 30.300 0.017 0.000 1.114 55 R HN 0.825 nan 8.270 nan 0.000 0.550 56 K N -1.214 119.187 120.400 0.002 0.000 6.212 56 K HA -0.049 4.271 4.320 0.000 0.000 0.823 56 K C -1.616 174.980 176.600 -0.006 0.000 0.885 56 K CA 0.049 56.331 56.287 -0.007 0.000 1.088 56 K CB -0.868 31.622 32.500 -0.016 0.000 2.102 56 K HN 0.333 nan 8.250 nan 0.000 1.064 57 V N 1.417 121.325 119.914 -0.010 0.000 2.267 57 V HA 0.400 4.520 4.120 0.000 0.000 0.254 57 V C 0.678 176.768 176.094 -0.006 0.000 1.144 57 V CA -1.016 61.280 62.300 -0.008 0.000 0.992 57 V CB -0.634 31.183 31.823 -0.010 0.000 1.199 57 V HN 0.469 nan 8.190 nan 0.000 0.493 58 L N 3.818 125.040 121.223 -0.003 0.000 2.552 58 L HA 0.075 4.415 4.340 0.000 0.000 0.315 58 L C 0.806 177.676 176.870 0.000 0.000 1.301 58 L CA 1.273 56.113 54.840 -0.000 0.000 0.840 58 L CB -0.312 41.748 42.059 0.001 0.000 1.067 58 L HN 1.066 nan 8.230 nan 0.000 0.558 59 E N -1.016 119.185 120.200 0.002 0.000 2.343 59 E HA 0.551 4.901 4.350 0.000 0.000 0.278 59 E C -1.026 175.576 176.600 0.004 0.000 0.910 59 E CA -1.001 55.400 56.400 0.003 0.000 0.757 59 E CB 1.342 31.044 29.700 0.002 0.000 1.218 59 E HN 0.140 nan 8.360 nan 0.000 0.435 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