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 2fpe_1_G DATA FIRST_RESID 1 DATA SEQUENCE EQTHRAIFRF VPRHEDELEL EVDDPLLVEL QAEDYWYEAY NXRTGARGVF DATA SEQUENCE PAYYAIEVTK 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.636 176.600 0.060 0.000 1.382 1 E CA 0.000 56.423 56.400 0.038 0.000 0.976 1 E CB 0.000 29.724 29.700 0.040 0.000 0.812 2 Q N 1.839 121.679 119.800 0.066 0.000 2.304 2 Q HA -0.002 4.339 4.340 0.001 0.000 0.301 2 Q C 0.883 176.920 176.000 0.062 0.000 1.063 2 Q CA 1.433 57.285 55.803 0.081 0.000 0.947 2 Q CB 0.653 29.428 28.738 0.062 0.000 1.201 2 Q HN 0.279 nan 8.270 nan 0.000 0.389 3 T N -0.175 114.443 114.554 0.108 0.000 2.987 3 T HA 0.185 4.536 4.350 0.001 0.000 0.248 3 T C -0.034 174.624 174.700 -0.070 0.000 0.997 3 T CA 0.052 62.188 62.100 0.060 0.000 1.013 3 T CB 0.211 69.196 68.868 0.195 0.000 1.077 3 T HN 0.672 nan 8.240 nan 0.000 0.483 4 H N -0.219 118.888 119.070 0.062 0.000 2.941 4 H HA 0.823 5.379 4.556 0.001 0.000 0.344 4 H C -0.981 174.381 175.328 0.055 0.000 1.235 4 H CA -0.960 55.135 56.048 0.077 0.000 1.149 4 H CB 1.602 31.459 29.762 0.159 0.000 1.885 4 H HN 0.088 nan 8.280 nan 0.000 0.558 5 R N 0.602 121.207 120.500 0.175 0.000 2.574 5 R HA 0.721 5.062 4.340 0.001 0.000 0.288 5 R C -1.275 175.031 176.300 0.010 0.000 1.004 5 R CA -0.951 55.184 56.100 0.059 0.000 0.895 5 R CB 1.595 31.903 30.300 0.012 0.000 1.191 5 R HN 0.781 nan 8.270 nan 0.000 0.444 6 A N 4.562 127.350 122.820 -0.055 0.000 2.440 6 A HA 0.245 4.566 4.320 0.001 0.000 0.251 6 A C 1.074 178.569 177.584 -0.149 0.000 1.089 6 A CA -0.297 51.665 52.037 -0.124 0.000 0.779 6 A CB -0.083 18.834 19.000 -0.138 0.000 1.022 6 A HN 0.863 nan 8.150 nan 0.000 0.492 7 I N -1.840 118.563 120.570 -0.279 0.000 4.181 7 I HA 0.461 4.632 4.170 0.001 0.000 0.331 7 I C -0.825 174.921 176.117 -0.618 0.000 1.312 7 I CA -0.163 60.837 61.300 -0.500 0.000 1.146 7 I CB 0.251 37.803 38.000 -0.746 0.000 1.074 7 I HN 0.299 nan 8.210 nan 0.000 0.402 8 F N 1.431 121.327 119.950 -0.089 0.000 2.576 8 F HA 0.609 5.137 4.527 0.001 0.000 0.313 8 F C 0.251 176.133 175.800 0.136 0.000 1.078 8 F CA -1.301 56.639 58.000 -0.101 0.000 0.921 8 F CB 1.093 39.786 39.000 -0.512 0.000 1.232 8 F HN -0.198 nan 8.300 nan 0.000 0.459 9 R N 1.817 122.530 120.500 0.354 0.000 2.449 9 R HA 0.313 4.654 4.340 0.001 0.000 0.296 9 R C -1.694 174.898 176.300 0.487 0.000 1.047 9 R CA 0.300 56.581 56.100 0.302 0.000 1.018 9 R CB -0.191 30.221 30.300 0.186 0.000 0.962 9 R HN 0.489 nan 8.270 nan 0.000 0.428 10 F N 5.579 125.640 119.950 0.185 0.000 2.553 10 F HA 0.400 4.928 4.527 0.002 0.000 0.335 10 F C -1.433 174.386 175.800 0.031 0.000 1.148 10 F CA -1.037 57.013 58.000 0.085 0.000 0.963 10 F CB 1.453 40.400 39.000 -0.089 0.000 1.217 10 F HN 0.232 nan 8.300 nan 0.000 0.441 11 V N 8.015 127.676 119.914 -0.421 0.000 2.328 11 V HA 0.368 4.489 4.120 0.001 0.000 0.278 11 V C -2.096 173.607 176.094 -0.651 0.000 1.021 11 V CA -1.936 60.126 62.300 -0.396 0.000 0.838 11 V CB 1.009 32.719 31.823 -0.189 0.000 0.999 11 V HN 0.615 nan 8.190 nan 0.000 0.447 12 P HA 0.191 nan 4.420 nan 0.000 0.264 12 P C 0.361 177.472 177.300 -0.314 0.000 1.183 12 P CA 0.203 63.042 63.100 -0.435 0.000 0.763 12 P CB 0.760 32.349 31.700 -0.185 0.000 0.807 13 R N 0.776 121.070 120.500 -0.344 0.000 2.369 13 R HA 0.132 4.473 4.340 0.001 0.000 0.210 13 R C 0.086 176.053 176.300 -0.555 0.000 0.881 13 R CA 0.080 55.901 56.100 -0.465 0.000 1.031 13 R CB 0.328 30.253 30.300 -0.625 0.000 1.184 13 R HN 0.678 nan 8.270 nan 0.000 0.581 14 H N -1.222 117.847 119.070 -0.002 0.000 2.670 14 H HA 0.136 4.693 4.556 0.002 0.000 0.361 14 H C 0.301 175.631 175.328 0.004 0.000 1.169 14 H CA -0.717 55.335 56.048 0.007 0.000 1.198 14 H CB 1.833 31.605 29.762 0.018 0.000 1.700 14 H HN -0.216 nan 8.280 nan 0.000 0.542 15 E N 0.909 121.183 120.200 0.123 0.000 2.130 15 E HA -0.200 4.151 4.350 0.001 0.000 0.196 15 E C 1.025 177.662 176.600 0.062 0.000 0.998 15 E CA 1.951 58.389 56.400 0.064 0.000 0.806 15 E CB -0.044 29.681 29.700 0.041 0.000 0.738 15 E HN 0.770 nan 8.360 nan 0.000 0.459 16 D N -0.606 119.832 120.400 0.064 0.000 2.339 16 D HA -0.016 4.625 4.640 0.001 0.000 0.217 16 D C -0.235 176.134 176.300 0.114 0.000 1.050 16 D CA -0.045 53.986 54.000 0.051 0.000 0.856 16 D CB -0.346 40.442 40.800 -0.019 0.000 0.922 16 D HN 0.192 nan 8.370 nan 0.000 0.518 17 E N 0.022 120.329 120.200 0.178 0.000 2.343 17 E HA 0.309 4.660 4.350 0.001 0.000 0.269 17 E C -0.694 176.071 176.600 0.275 0.000 1.047 17 E CA -0.870 55.717 56.400 0.312 0.000 0.874 17 E CB 1.542 31.477 29.700 0.390 0.000 1.033 17 E HN 0.059 nan 8.360 nan 0.000 0.409 18 L N 2.485 123.951 121.223 0.405 0.000 2.272 18 L HA 0.194 4.535 4.340 0.001 0.000 0.289 18 L C -0.234 176.825 176.870 0.314 0.000 1.032 18 L CA -0.136 54.897 54.840 0.320 0.000 0.810 18 L CB 1.113 43.400 42.059 0.381 0.000 1.205 18 L HN 0.480 nan 8.230 nan 0.000 0.422 19 E N 4.638 124.925 120.200 0.144 0.000 2.384 19 E HA 0.391 4.742 4.350 0.001 0.000 0.266 19 E C -1.443 175.215 176.600 0.096 0.000 1.012 19 E CA -0.097 56.351 56.400 0.079 0.000 0.901 19 E CB 0.580 30.283 29.700 0.005 0.000 0.967 19 E HN 0.681 nan 8.360 nan 0.000 0.435 20 L N 3.680 124.977 121.223 0.123 0.000 2.408 20 L HA 0.475 4.816 4.340 0.001 0.000 0.268 20 L C -0.353 176.564 176.870 0.079 0.000 0.986 20 L CA -0.982 53.901 54.840 0.071 0.000 0.820 20 L CB 1.960 44.042 42.059 0.039 0.000 1.303 20 L HN 0.514 nan 8.230 nan 0.000 0.411 21 E N 1.630 121.851 120.200 0.035 0.000 2.227 21 E HA 0.352 4.703 4.350 0.001 0.000 0.268 21 E C -0.775 175.839 176.600 0.024 0.000 0.907 21 E CA -0.851 55.571 56.400 0.037 0.000 0.786 21 E CB 2.980 32.689 29.700 0.016 0.000 1.191 21 E HN 0.192 nan 8.360 nan 0.000 0.411 22 V N 2.894 122.828 119.914 0.034 0.000 2.681 22 V HA -0.153 3.967 4.120 0.001 0.000 0.306 22 V C 0.846 176.930 176.094 -0.017 0.000 1.077 22 V CA 1.195 63.498 62.300 0.005 0.000 1.224 22 V CB -0.166 31.666 31.823 0.015 0.000 0.879 22 V HN 0.886 nan 8.190 nan 0.000 0.494 23 D N 1.332 121.707 120.400 -0.040 0.000 3.077 23 D HA -0.145 4.496 4.640 0.001 0.000 0.212 23 D C 0.045 176.330 176.300 -0.024 0.000 1.125 23 D CA 1.160 55.139 54.000 -0.035 0.000 0.970 23 D CB -0.656 40.129 40.800 -0.025 0.000 1.110 23 D HN 0.790 nan 8.370 nan 0.000 0.419 24 D N 0.479 120.861 120.400 -0.029 0.000 2.455 24 D HA 0.139 4.780 4.640 0.001 0.000 0.241 24 D C -2.118 174.173 176.300 -0.016 0.000 1.138 24 D CA -0.650 53.334 54.000 -0.027 0.000 0.877 24 D CB 0.643 41.418 40.800 -0.042 0.000 1.187 24 D HN 0.164 nan 8.370 nan 0.000 0.451 25 P HA 0.202 nan 4.420 nan 0.000 0.281 25 P C -0.700 176.626 177.300 0.043 0.000 1.252 25 P CA -0.218 62.898 63.100 0.026 0.000 0.778 25 P CB 0.811 32.527 31.700 0.027 0.000 0.895 26 L N 3.409 124.691 121.223 0.099 0.000 2.370 26 L HA 0.557 4.898 4.340 0.001 0.000 0.266 26 L C 0.072 177.072 176.870 0.218 0.000 1.002 26 L CA -1.018 53.915 54.840 0.154 0.000 0.818 26 L CB 2.621 44.791 42.059 0.186 0.000 1.325 26 L HN 0.261 nan 8.230 nan 0.000 0.418 27 L N 3.238 124.614 121.223 0.254 0.000 2.324 27 L HA 0.479 4.820 4.340 0.001 0.000 0.274 27 L C -0.965 176.027 176.870 0.203 0.000 1.012 27 L CA -0.619 54.362 54.840 0.235 0.000 0.859 27 L CB 1.443 43.657 42.059 0.259 0.000 1.224 27 L HN 0.332 nan 8.230 nan 0.000 0.429 28 V N 5.320 125.322 119.914 0.147 0.000 2.427 28 V HA 0.107 4.228 4.120 0.001 0.000 0.268 28 V C 0.937 177.014 176.094 -0.030 0.000 1.046 28 V CA 0.046 62.342 62.300 -0.007 0.000 0.970 28 V CB 1.092 32.712 31.823 -0.340 0.000 1.001 28 V HN 0.820 nan 8.190 nan 0.000 0.476 29 E N 3.965 124.157 120.200 -0.015 0.000 2.230 29 E HA 0.108 4.459 4.350 0.001 0.000 0.192 29 E C -0.031 176.530 176.600 -0.065 0.000 0.987 29 E CA 0.407 56.794 56.400 -0.023 0.000 0.841 29 E CB 0.472 30.176 29.700 0.006 0.000 0.783 29 E HN 0.432 nan 8.360 nan 0.000 0.481 30 L N 0.624 121.782 121.223 -0.109 0.000 2.565 30 L HA 0.190 4.531 4.340 0.001 0.000 0.261 30 L C -1.801 174.946 176.870 -0.205 0.000 0.932 30 L CA -0.278 54.486 54.840 -0.126 0.000 0.878 30 L CB 2.132 44.151 42.059 -0.066 0.000 1.333 30 L HN -0.241 nan 8.230 nan 0.000 0.409 31 Q N 4.220 123.867 119.800 -0.256 0.000 2.509 31 Q HA 0.689 5.030 4.340 0.001 0.000 0.230 31 Q C -0.025 175.920 176.000 -0.091 0.000 1.089 31 Q CA -0.462 55.164 55.803 -0.295 0.000 0.901 31 Q CB 1.372 29.844 28.738 -0.443 0.000 1.208 31 Q HN 0.798 nan 8.270 nan 0.000 0.529 32 A N 1.903 124.724 122.820 0.002 0.000 2.406 32 A HA 0.035 4.356 4.320 0.001 0.000 0.243 32 A C 0.987 178.544 177.584 -0.046 0.000 1.082 32 A CA -0.293 51.742 52.037 -0.002 0.000 0.786 32 A CB 0.427 19.458 19.000 0.051 0.000 1.029 32 A HN 0.641 nan 8.150 nan 0.000 0.495 33 E N 0.754 120.930 120.200 -0.041 0.000 2.333 33 E HA -0.150 4.201 4.350 0.001 0.000 0.198 33 E C 0.504 177.113 176.600 0.015 0.000 1.007 33 E CA 1.298 57.657 56.400 -0.068 0.000 0.845 33 E CB -0.108 29.586 29.700 -0.010 0.000 0.766 33 E HN 0.810 nan 8.360 nan 0.000 0.507 34 D N -1.325 119.160 120.400 0.142 0.000 2.336 34 D HA -0.115 4.526 4.640 0.001 0.000 0.228 34 D C -0.355 176.262 176.300 0.530 0.000 1.120 34 D CA -0.664 53.547 54.000 0.352 0.000 0.839 34 D CB -0.566 40.407 40.800 0.289 0.000 0.932 34 D HN 0.008 nan 8.370 nan 0.000 0.509 35 Y N -2.273 118.086 120.300 0.099 0.000 4.032 35 Y HA -0.193 4.357 4.550 0.001 0.000 0.230 35 Y C -0.651 175.107 175.900 -0.235 0.000 1.202 35 Y CA 0.018 58.082 58.100 -0.061 0.000 1.878 35 Y CB -2.632 35.772 38.460 -0.094 0.000 1.586 35 Y HN 0.171 nan 8.280 nan 0.000 0.673 36 W N -0.401 120.855 121.300 -0.073 0.000 2.666 36 W HA 0.670 5.331 4.660 0.001 0.000 0.334 36 W C -0.507 175.921 176.519 -0.151 0.000 1.051 36 W CA -0.881 56.346 57.345 -0.196 0.000 1.224 36 W CB 0.876 30.268 29.460 -0.113 0.000 1.405 36 W HN -0.197 nan 8.180 nan 0.000 0.513 37 Y N 2.099 122.158 120.300 -0.401 0.000 2.341 37 Y HA 0.297 4.848 4.550 0.001 0.000 0.337 37 Y C 0.458 176.108 175.900 -0.418 0.000 1.014 37 Y CA -1.987 55.779 58.100 -0.556 0.000 1.111 37 Y CB 1.041 38.875 38.460 -1.043 0.000 1.194 37 Y HN 0.265 nan 8.280 nan 0.000 0.462 38 E N 2.517 122.687 120.200 -0.049 0.000 2.167 38 E HA 0.648 4.999 4.350 0.001 0.000 0.284 38 E C -0.674 175.947 176.600 0.035 0.000 1.016 38 E CA -0.356 56.049 56.400 0.007 0.000 0.817 38 E CB 1.652 31.357 29.700 0.008 0.000 1.080 38 E HN 0.689 nan 8.360 nan 0.000 0.397 39 A N 3.316 126.223 122.820 0.144 0.000 2.583 39 A HA 0.548 4.869 4.320 0.001 0.000 0.289 39 A C -1.955 175.806 177.584 0.295 0.000 1.151 39 A CA -0.719 51.460 52.037 0.236 0.000 0.695 39 A CB 1.372 20.615 19.000 0.406 0.000 1.290 39 A HN 0.561 nan 8.150 nan 0.000 0.419 40 Y N 1.894 122.282 120.300 0.147 0.000 2.331 40 Y HA 0.500 5.051 4.550 0.001 0.000 0.334 40 Y C 0.061 176.032 175.900 0.119 0.000 0.960 40 Y CA -0.869 57.299 58.100 0.114 0.000 1.130 40 Y CB 1.135 39.642 38.460 0.078 0.000 1.164 40 Y HN 0.828 nan 8.280 nan 0.000 0.458 44 T N -2.448 112.039 114.554 -0.112 0.000 3.051 44 T HA 0.270 4.621 4.350 0.001 0.000 0.255 44 T C 1.416 176.053 174.700 -0.105 0.000 1.085 44 T CA 1.131 63.179 62.100 -0.086 0.000 1.109 44 T CB 0.867 69.695 68.868 -0.068 0.000 0.921 44 T HN 0.624 nan 8.240 nan 0.000 0.488 45 G N 1.420 110.073 108.800 -0.245 0.000 2.179 45 G HA2 -0.052 3.909 3.960 0.001 0.000 0.260 45 G HA3 -0.052 3.909 3.960 0.001 0.000 0.260 45 G C 0.315 175.142 174.900 -0.121 0.000 0.977 45 G CA 0.040 45.014 45.100 -0.210 0.000 0.641 45 G HN 1.169 nan 8.290 nan 0.000 0.533 46 A N -0.315 122.415 122.820 -0.149 0.000 2.287 46 A HA 0.861 5.182 4.320 0.001 0.000 0.273 46 A C 0.651 178.257 177.584 0.037 0.000 1.091 46 A CA 0.079 52.109 52.037 -0.013 0.000 0.817 46 A CB 0.591 19.592 19.000 0.001 0.000 1.069 46 A HN 0.514 nan 8.150 nan 0.000 0.492 47 R N -0.723 119.854 120.500 0.129 0.000 2.807 47 R HA 0.713 5.054 4.340 0.001 0.000 0.276 47 R C -0.055 176.340 176.300 0.159 0.000 0.979 47 R CA 0.032 56.242 56.100 0.183 0.000 0.928 47 R CB 2.511 32.936 30.300 0.208 0.000 1.191 47 R HN 1.299 nan 8.270 nan 0.000 0.471 48 G N 0.056 108.967 108.800 0.185 0.000 2.327 48 G HA2 0.287 4.247 3.960 0.001 0.000 0.291 48 G HA3 0.287 4.247 3.960 0.001 0.000 0.291 48 G C -1.537 173.498 174.900 0.226 0.000 1.290 48 G CA -0.348 44.862 45.100 0.184 0.000 0.857 48 G HN 0.537 nan 8.290 nan 0.000 0.520 49 V N -1.564 118.498 119.914 0.247 0.000 2.881 49 V HA 1.003 5.124 4.120 0.001 0.000 0.316 49 V C -0.347 176.052 176.094 0.508 0.000 1.070 49 V CA -0.786 61.674 62.300 0.267 0.000 0.976 49 V CB 1.190 33.118 31.823 0.176 0.000 1.038 49 V HN 1.929 nan 8.190 nan 0.000 0.446 50 F N -0.011 120.136 119.950 0.329 0.000 2.686 50 F HA 0.943 5.471 4.527 0.002 0.000 0.311 50 F C -3.328 172.156 175.800 -0.528 0.000 1.128 50 F CA -2.992 54.926 58.000 -0.138 0.000 0.946 50 F CB 1.011 39.827 39.000 -0.306 0.000 1.336 50 F HN 0.324 nan 8.300 nan 0.000 0.457 51 P HA 0.227 nan 4.420 nan 0.000 0.267 51 P C 0.363 177.350 177.300 -0.523 0.000 1.209 51 P CA 0.528 63.052 63.100 -0.960 0.000 0.763 51 P CB 1.223 32.388 31.700 -0.892 0.000 0.816 52 A N 3.558 125.881 122.820 -0.829 0.000 1.940 52 A HA -0.267 4.054 4.320 0.001 0.000 0.221 52 A C 1.370 178.591 177.584 -0.604 0.000 1.190 52 A CA 1.874 53.164 52.037 -1.244 0.000 0.647 52 A CB -1.883 16.479 19.000 -1.064 0.000 0.821 52 A HN 0.592 nan 8.150 nan 0.000 0.457 53 Y N -2.546 117.707 120.300 -0.077 0.000 2.632 53 Y HA -0.044 4.507 4.550 0.001 0.000 0.301 53 Y C 1.386 177.391 175.900 0.176 0.000 1.172 53 Y CA 0.567 58.716 58.100 0.081 0.000 1.328 53 Y CB -0.419 38.088 38.460 0.079 0.000 1.016 53 Y HN 0.435 nan 8.280 nan 0.000 0.529 54 Y N -0.458 119.910 120.300 0.113 0.000 2.490 54 Y HA 0.433 4.983 4.550 0.001 0.000 0.281 54 Y C 0.957 176.812 175.900 -0.074 0.000 1.174 54 Y CA -0.319 57.839 58.100 0.096 0.000 1.295 54 Y CB -0.052 38.377 38.460 -0.052 0.000 1.062 54 Y HN -0.034 nan 8.280 nan 0.000 0.522 55 A N 0.311 123.219 122.820 0.146 0.000 2.556 55 A HA 0.782 5.103 4.320 0.001 0.000 0.294 55 A C -0.961 176.753 177.584 0.217 0.000 1.091 55 A CA -0.756 51.372 52.037 0.151 0.000 0.704 55 A CB 1.283 20.474 19.000 0.319 0.000 1.300 55 A HN 0.179 nan 8.150 nan 0.000 0.406 56 I N -1.929 118.755 120.570 0.189 0.000 2.892 56 I HA 0.650 4.821 4.170 0.001 0.000 0.306 56 I C -0.354 175.839 176.117 0.128 0.000 1.078 56 I CA -0.759 60.638 61.300 0.161 0.000 1.032 56 I CB 1.973 39.991 38.000 0.031 0.000 1.229 56 I HN 0.652 nan 8.210 nan 0.000 0.435 57 E N 2.780 122.958 120.200 -0.036 0.000 2.373 57 E HA 0.323 4.674 4.350 0.001 0.000 0.267 57 E C -0.333 176.168 176.600 -0.165 0.000 1.032 57 E CA -0.590 55.610 56.400 -0.334 0.000 0.889 57 E CB 1.851 31.370 29.700 -0.302 0.000 0.984 57 E HN 0.541 nan 8.360 nan 0.000 0.425 58 V N 0.279 120.091 119.914 -0.169 0.000 2.863 58 V HA 0.662 4.783 4.120 0.001 0.000 0.307 58 V C 0.193 176.244 176.094 -0.072 0.000 1.061 58 V CA -0.497 61.754 62.300 -0.082 0.000 1.024 58 V CB 1.473 33.267 31.823 -0.047 0.000 1.049 58 V HN 0.848 nan 8.190 nan 0.000 0.471 59 T N -0.090 114.437 114.554 -0.045 0.000 2.865 59 T HA 0.903 5.254 4.350 0.001 0.000 0.294 59 T C -0.689 173.997 174.700 -0.024 0.000 1.119 59 T CA -0.709 61.370 62.100 -0.035 0.000 1.007 59 T CB 2.300 71.150 68.868 -0.030 0.000 1.225 59 T HN 1.136 nan 8.240 nan 0.000 0.515 60 K N 0.000 120.389 120.400 -0.019 0.000 2.780 60 K HA 0.000 4.321 4.320 0.001 0.000 0.191 60 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 60 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 60 K HN 0.000 nan 8.250 nan 0.000 0.543