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 1f4m_1_A DATA FIRST_RESID 1 DATA SEQUENCE GTKQEKTILN MARFIRSQAL TILEKANELD ADEIADIAES IHDHADEIYR DATA SEQUENCE SALARF 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 1 G C 0.000 174.808 174.900 -0.154 0.000 0.946 1 G CA 0.000 45.042 45.100 -0.097 0.000 0.502 2 T N -0.159 114.313 114.554 -0.137 0.000 2.929 2 T HA -0.119 4.235 4.350 0.008 0.000 0.271 2 T C 1.988 176.599 174.700 -0.147 0.000 1.085 2 T CA 1.906 63.904 62.100 -0.169 0.000 1.125 2 T CB -0.112 68.692 68.868 -0.106 0.000 0.874 2 T HN 0.537 nan 8.240 nan 0.000 0.494 3 K N 0.418 120.755 120.400 -0.105 0.000 2.063 3 K HA -0.185 4.140 4.320 0.008 0.000 0.208 3 K C 2.482 179.030 176.600 -0.087 0.000 1.048 3 K CA 1.580 57.820 56.287 -0.077 0.000 0.928 3 K CB -0.112 32.354 32.500 -0.056 0.000 0.713 3 K HN 0.411 nan 8.250 nan 0.000 0.442 4 Q N 0.532 120.263 119.800 -0.116 0.000 2.123 4 Q HA -0.146 4.198 4.340 0.008 0.000 0.199 4 Q C 1.885 177.787 176.000 -0.163 0.000 0.966 4 Q CA 1.451 57.189 55.803 -0.108 0.000 0.845 4 Q CB -0.149 28.526 28.738 -0.105 0.000 0.907 4 Q HN 0.526 nan 8.270 nan 0.000 0.439 5 E N 1.314 121.306 120.200 -0.348 0.000 2.077 5 E HA -0.133 4.222 4.350 0.008 0.000 0.193 5 E C 2.028 178.544 176.600 -0.139 0.000 0.989 5 E CA 0.889 56.952 56.400 -0.562 0.000 0.800 5 E CB 0.030 29.183 29.700 -0.912 0.000 0.746 5 E HN 0.284 nan 8.360 nan 0.000 0.452 6 K N 0.092 120.434 120.400 -0.096 0.000 2.097 6 K HA -0.086 4.238 4.320 0.008 0.000 0.206 6 K C 2.275 178.890 176.600 0.024 0.000 1.049 6 K CA 1.498 57.778 56.287 -0.011 0.000 0.933 6 K CB -0.097 32.389 32.500 -0.024 0.000 0.717 6 K HN 0.056 nan 8.250 nan 0.000 0.442 7 T N 1.786 116.344 114.554 0.006 0.000 2.674 7 T HA -0.096 4.259 4.350 0.008 0.000 0.265 7 T C 1.925 176.668 174.700 0.071 0.000 1.039 7 T CA 1.167 63.282 62.100 0.026 0.000 1.150 7 T CB -0.214 68.660 68.868 0.010 0.000 0.864 7 T HN 0.120 nan 8.240 nan 0.000 0.427 8 I N 0.613 121.242 120.570 0.098 0.000 2.151 8 I HA -0.189 3.985 4.170 0.008 0.000 0.243 8 I C 2.336 178.574 176.117 0.201 0.000 1.080 8 I CA 1.385 62.784 61.300 0.166 0.000 1.339 8 I CB -0.422 37.742 38.000 0.274 0.000 1.039 8 I HN 0.175 nan 8.210 nan 0.000 0.409 9 L N 0.346 121.707 121.223 0.230 0.000 2.027 9 L HA -0.181 4.164 4.340 0.008 0.000 0.206 9 L C 2.360 179.379 176.870 0.249 0.000 1.074 9 L CA 1.342 56.352 54.840 0.283 0.000 0.745 9 L CB -0.567 41.651 42.059 0.265 0.000 0.898 9 L HN 0.291 nan 8.230 nan 0.000 0.433 10 N N -0.696 118.097 118.700 0.156 0.000 2.216 10 N HA -0.113 4.632 4.740 0.008 0.000 0.183 10 N C 1.818 177.389 175.510 0.102 0.000 1.017 10 N CA 1.211 54.325 53.050 0.107 0.000 0.861 10 N CB -0.064 38.455 38.487 0.054 0.000 0.986 10 N HN 0.295 nan 8.380 nan 0.000 0.428 11 M N 0.668 120.330 119.600 0.104 0.000 2.123 11 M HA 0.046 4.530 4.480 0.008 0.000 0.263 11 M C 2.329 178.697 176.300 0.113 0.000 1.069 11 M CA 0.727 56.100 55.300 0.121 0.000 1.133 11 M CB -0.984 31.672 32.600 0.094 0.000 1.356 11 M HN 0.042 nan 8.290 nan 0.000 0.415 12 A N 0.414 123.294 122.820 0.100 0.000 1.908 12 A HA -0.211 4.113 4.320 0.008 0.000 0.218 12 A C 2.370 179.915 177.584 -0.066 0.000 1.181 12 A CA 1.938 54.015 52.037 0.066 0.000 0.627 12 A CB -0.804 18.288 19.000 0.152 0.000 0.818 12 A HN 0.460 nan 8.150 nan 0.000 0.445 13 R N -1.848 118.554 120.500 -0.163 0.000 2.062 13 R HA -0.111 4.233 4.340 0.008 0.000 0.231 13 R C 2.037 178.220 176.300 -0.195 0.000 1.136 13 R CA 1.722 57.529 56.100 -0.489 0.000 0.948 13 R CB -0.447 29.516 30.300 -0.562 0.000 0.845 13 R HN 0.531 nan 8.270 nan 0.000 0.430 14 F N 1.130 120.987 119.950 -0.156 0.000 2.216 14 F HA -0.122 4.411 4.527 0.010 0.000 0.300 14 F C 1.906 177.665 175.800 -0.069 0.000 1.085 14 F CA 1.203 59.147 58.000 -0.092 0.000 1.326 14 F CB 0.055 39.025 39.000 -0.051 0.000 1.027 14 F HN 0.015 nan 8.300 nan 0.000 0.497 15 I N -0.148 120.373 120.570 -0.082 0.000 2.394 15 I HA -0.272 3.902 4.170 0.008 0.000 0.251 15 I C 2.399 178.410 176.117 -0.177 0.000 1.136 15 I CA 0.992 62.217 61.300 -0.125 0.000 1.425 15 I CB -0.482 37.505 38.000 -0.023 0.000 1.079 15 I HN 0.086 nan 8.210 nan 0.000 0.425 16 R N 0.757 121.139 120.500 -0.197 0.000 2.083 16 R HA -0.180 4.164 4.340 0.008 0.000 0.237 16 R C 2.657 178.891 176.300 -0.110 0.000 1.137 16 R CA 2.070 58.054 56.100 -0.193 0.000 0.951 16 R CB -0.511 29.610 30.300 -0.297 0.000 0.851 16 R HN 0.475 nan 8.270 nan 0.000 0.434 17 S N 0.676 116.243 115.700 -0.221 0.000 2.368 17 S HA -0.190 4.284 4.470 0.008 0.000 0.224 17 S C 1.978 176.422 174.600 -0.260 0.000 1.029 17 S CA 0.905 58.971 58.200 -0.222 0.000 0.988 17 S CB -0.251 62.772 63.200 -0.295 0.000 0.838 17 S HN 0.333 nan 8.310 nan 0.000 0.462 18 Q N 1.278 120.829 119.800 -0.415 0.000 2.096 18 Q HA -0.076 4.269 4.340 0.008 0.000 0.204 18 Q C 2.664 178.581 176.000 -0.140 0.000 0.982 18 Q CA 1.582 57.200 55.803 -0.308 0.000 0.850 18 Q CB -0.654 27.889 28.738 -0.324 0.000 0.901 18 Q HN 0.794 nan 8.270 nan 0.000 0.422 19 A N 0.558 123.322 122.820 -0.094 0.000 1.908 19 A HA -0.188 4.136 4.320 0.008 0.000 0.218 19 A C 1.956 179.531 177.584 -0.014 0.000 1.181 19 A CA 1.269 53.295 52.037 -0.018 0.000 0.627 19 A CB -0.429 18.599 19.000 0.046 0.000 0.818 19 A HN 0.241 nan 8.150 nan 0.000 0.445 20 L N -0.552 120.660 121.223 -0.018 0.000 2.156 20 L HA -0.045 4.299 4.340 0.008 0.000 0.208 20 L C 2.572 179.411 176.870 -0.051 0.000 1.095 20 L CA 2.138 56.954 54.840 -0.040 0.000 0.770 20 L CB -1.137 40.902 42.059 -0.033 0.000 0.914 20 L HN 0.342 nan 8.230 nan 0.000 0.439 21 T N -0.623 113.893 114.554 -0.062 0.000 2.867 21 T HA -0.079 4.275 4.350 0.008 0.000 0.268 21 T C 1.992 176.669 174.700 -0.038 0.000 1.057 21 T CA 1.076 63.144 62.100 -0.053 0.000 1.136 21 T CB -0.057 68.772 68.868 -0.065 0.000 0.874 21 T HN 0.188 nan 8.240 nan 0.000 0.466 22 I N 0.489 121.037 120.570 -0.037 0.000 2.333 22 I HA -0.059 4.115 4.170 0.008 0.000 0.246 22 I C 2.267 178.370 176.117 -0.023 0.000 1.106 22 I CA 0.641 61.927 61.300 -0.024 0.000 1.411 22 I CB -0.292 37.698 38.000 -0.017 0.000 1.082 22 I HN 0.195 nan 8.210 nan 0.000 0.420 23 L N 1.028 122.233 121.223 -0.029 0.000 2.079 23 L HA -0.215 4.130 4.340 0.008 0.000 0.210 23 L C 2.376 179.226 176.870 -0.034 0.000 1.081 23 L CA 1.966 56.786 54.840 -0.034 0.000 0.752 23 L CB -0.717 41.310 42.059 -0.053 0.000 0.896 23 L HN 0.145 nan 8.230 nan 0.000 0.433 24 E N 0.151 120.330 120.200 -0.034 0.000 2.072 24 E HA -0.179 4.176 4.350 0.008 0.000 0.191 24 E C 2.182 178.769 176.600 -0.022 0.000 0.985 24 E CA 1.195 57.577 56.400 -0.029 0.000 0.801 24 E CB -0.171 29.511 29.700 -0.030 0.000 0.750 24 E HN 0.582 nan 8.360 nan 0.000 0.452 25 K N 0.514 120.902 120.400 -0.019 0.000 2.211 25 K HA 0.020 4.345 4.320 0.008 0.000 0.203 25 K C 2.058 178.651 176.600 -0.012 0.000 1.050 25 K CA 0.831 57.110 56.287 -0.013 0.000 0.945 25 K CB 0.020 32.513 32.500 -0.011 0.000 0.732 25 K HN 0.012 nan 8.250 nan 0.000 0.451 26 A N 2.122 124.934 122.820 -0.014 0.000 1.855 26 A HA -0.148 4.177 4.320 0.008 0.000 0.215 26 A C 1.848 179.424 177.584 -0.013 0.000 1.191 26 A CA 1.295 53.324 52.037 -0.012 0.000 0.613 26 A CB -0.452 18.540 19.000 -0.013 0.000 0.829 26 A HN 0.229 nan 8.150 nan 0.000 0.442 27 N N -0.164 118.526 118.700 -0.016 0.000 2.289 27 N HA -0.151 4.594 4.740 0.008 0.000 0.184 27 N C 1.631 177.133 175.510 -0.013 0.000 1.016 27 N CA 1.407 54.448 53.050 -0.016 0.000 0.872 27 N CB -0.203 38.272 38.487 -0.021 0.000 0.973 27 N HN 0.652 nan 8.380 nan 0.000 0.433 28 E N 0.841 121.034 120.200 -0.012 0.000 2.028 28 E HA -0.067 4.287 4.350 0.008 0.000 0.191 28 E C 1.737 178.333 176.600 -0.008 0.000 0.988 28 E CA 0.720 57.114 56.400 -0.010 0.000 0.799 28 E CB -0.053 29.641 29.700 -0.009 0.000 0.755 28 E HN 0.324 nan 8.360 nan 0.000 0.447 29 L N 0.518 121.737 121.223 -0.007 0.000 2.610 29 L HA 0.006 4.350 4.340 0.008 0.000 0.232 29 L C 0.362 177.228 176.870 -0.006 0.000 1.149 29 L CA 0.216 55.053 54.840 -0.006 0.000 0.872 29 L CB -0.337 41.720 42.059 -0.005 0.000 0.992 29 L HN 0.174 nan 8.230 nan 0.000 0.447 30 D N 0.216 120.612 120.400 -0.007 0.000 3.012 30 D HA -0.194 4.450 4.640 0.008 0.000 0.222 30 D C 0.529 176.826 176.300 -0.006 0.000 1.167 30 D CA 0.760 54.756 54.000 -0.007 0.000 0.854 30 D CB -0.347 40.449 40.800 -0.006 0.000 1.107 30 D HN 0.391 nan 8.370 nan 0.000 0.421 31 A N 0.609 123.426 122.820 -0.006 0.000 2.915 31 A HA 0.225 4.550 4.320 0.008 0.000 0.292 31 A C 1.258 178.839 177.584 -0.005 0.000 1.632 31 A CA 0.007 52.042 52.037 -0.005 0.000 1.337 31 A CB 0.216 19.213 19.000 -0.004 0.000 1.111 31 A HN 0.260 nan 8.150 nan 0.000 0.569 32 D N 1.246 121.643 120.400 -0.005 0.000 2.219 32 D HA -0.137 4.507 4.640 0.008 0.000 0.205 32 D C 1.423 177.721 176.300 -0.003 0.000 0.970 32 D CA 1.346 55.342 54.000 -0.006 0.000 0.851 32 D CB 0.236 41.033 40.800 -0.005 0.000 0.943 32 D HN 0.782 nan 8.370 nan 0.000 0.488 33 E N 0.420 120.619 120.200 -0.001 0.000 2.076 33 E HA -0.020 4.334 4.350 0.008 0.000 0.190 33 E C 2.364 178.966 176.600 0.004 0.000 0.979 33 E CA 0.253 56.655 56.400 0.002 0.000 0.807 33 E CB 0.133 29.835 29.700 0.003 0.000 0.761 33 E HN 0.260 nan 8.360 nan 0.000 0.454 34 I N 1.344 121.915 120.570 0.002 0.000 2.315 34 I HA -0.247 3.927 4.170 0.008 0.000 0.248 34 I C 2.561 178.679 176.117 0.001 0.000 1.117 34 I CA 0.760 62.062 61.300 0.003 0.000 1.404 34 I CB -0.287 37.713 38.000 0.000 0.000 1.071 34 I HN 0.074 nan 8.210 nan 0.000 0.419 35 A N 0.779 123.596 122.820 -0.004 0.000 1.883 35 A HA -0.253 4.071 4.320 0.008 0.000 0.217 35 A C 1.984 179.563 177.584 -0.008 0.000 1.186 35 A CA 2.125 54.155 52.037 -0.010 0.000 0.624 35 A CB -0.633 18.359 19.000 -0.015 0.000 0.822 35 A HN 0.367 nan 8.150 nan 0.000 0.444 36 D N 0.044 120.442 120.400 -0.003 0.000 2.117 36 D HA -0.127 4.518 4.640 0.008 0.000 0.197 36 D C 1.921 178.230 176.300 0.014 0.000 0.987 36 D CA 1.418 55.419 54.000 0.001 0.000 0.829 36 D CB -0.354 40.449 40.800 0.004 0.000 0.961 36 D HN 0.561 nan 8.370 nan 0.000 0.460 37 I N 1.313 121.895 120.570 0.020 0.000 2.315 37 I HA -0.195 3.980 4.170 0.008 0.000 0.248 37 I C 2.587 178.730 176.117 0.043 0.000 1.117 37 I CA 0.778 62.101 61.300 0.037 0.000 1.404 37 I CB -0.270 37.749 38.000 0.031 0.000 1.071 37 I HN -0.101 nan 8.210 nan 0.000 0.419 38 A N 0.654 123.489 122.820 0.025 0.000 1.933 38 A HA -0.259 4.065 4.320 0.008 0.000 0.218 38 A C 2.214 179.821 177.584 0.038 0.000 1.175 38 A CA 2.053 54.105 52.037 0.026 0.000 0.628 38 A CB -0.496 18.506 19.000 0.004 0.000 0.814 38 A HN 0.423 nan 8.150 nan 0.000 0.444 39 E N 0.145 120.352 120.200 0.012 0.000 2.031 39 E HA -0.150 4.204 4.350 0.008 0.000 0.193 39 E C 2.230 178.858 176.600 0.046 0.000 0.994 39 E CA 1.664 58.062 56.400 -0.003 0.000 0.800 39 E CB -0.569 29.111 29.700 -0.035 0.000 0.752 39 E HN 0.432 nan 8.360 nan 0.000 0.447 40 S N -0.608 115.114 115.700 0.036 0.000 2.365 40 S HA -0.176 4.299 4.470 0.008 0.000 0.225 40 S C 2.015 176.667 174.600 0.088 0.000 1.039 40 S CA 1.585 59.801 58.200 0.027 0.000 1.033 40 S CB -0.478 62.784 63.200 0.103 0.000 0.887 40 S HN 0.397 nan 8.310 nan 0.000 0.447 41 I N 1.220 121.879 120.570 0.148 0.000 2.226 41 I HA -0.197 3.978 4.170 0.008 0.000 0.245 41 I C 2.605 178.785 176.117 0.104 0.000 1.100 41 I CA 1.752 63.148 61.300 0.160 0.000 1.374 41 I CB -0.701 37.356 38.000 0.096 0.000 1.057 41 I HN 0.526 nan 8.210 nan 0.000 0.413 42 H N 1.551 120.617 119.070 -0.008 0.000 2.353 42 H HA -0.222 4.333 4.556 -0.002 0.000 0.298 42 H C 1.482 176.786 175.328 -0.039 0.000 1.103 42 H CA 2.172 58.200 56.048 -0.033 0.000 1.293 42 H CB -0.108 29.626 29.762 -0.046 0.000 1.372 42 H HN 0.332 nan 8.280 nan 0.000 0.501 43 D N -0.272 120.164 120.400 0.060 0.000 2.183 43 D HA -0.098 4.547 4.640 0.008 0.000 0.203 43 D C 2.218 178.412 176.300 -0.176 0.000 0.969 43 D CA 0.712 54.672 54.000 -0.067 0.000 0.842 43 D CB -0.318 40.419 40.800 -0.104 0.000 0.957 43 D HN 0.570 nan 8.370 nan 0.000 0.484 44 H N 0.427 119.497 119.070 -0.001 0.000 2.403 44 H HA 0.165 4.726 4.556 0.009 0.000 0.298 44 H C 2.077 177.394 175.328 -0.019 0.000 1.059 44 H CA 1.077 57.123 56.048 -0.004 0.000 1.363 44 H CB -0.063 29.702 29.762 0.005 0.000 1.410 44 H HN 0.079 nan 8.280 nan 0.000 0.528 45 A N 1.034 123.889 122.820 0.059 0.000 1.902 45 A HA -0.186 4.139 4.320 0.008 0.000 0.217 45 A C 2.205 179.781 177.584 -0.013 0.000 1.181 45 A CA 1.852 53.893 52.037 0.008 0.000 0.623 45 A CB -0.414 18.554 19.000 -0.052 0.000 0.818 45 A HN 0.301 nan 8.150 nan 0.000 0.443 46 D N -0.604 119.731 120.400 -0.109 0.000 2.123 46 D HA -0.165 4.479 4.640 0.008 0.000 0.196 46 D C 1.896 178.230 176.300 0.056 0.000 0.992 46 D CA 1.543 55.513 54.000 -0.049 0.000 0.833 46 D CB -0.106 40.598 40.800 -0.160 0.000 0.954 46 D HN 0.402 nan 8.370 nan 0.000 0.455 47 E N -0.089 120.125 120.200 0.023 0.000 2.077 47 E HA -0.083 4.271 4.350 0.008 0.000 0.193 47 E C 2.221 178.848 176.600 0.045 0.000 0.989 47 E CA 0.739 57.158 56.400 0.032 0.000 0.800 47 E CB -0.288 29.435 29.700 0.039 0.000 0.746 47 E HN 0.416 nan 8.360 nan 0.000 0.452 48 I N -0.274 120.339 120.570 0.072 0.000 2.226 48 I HA -0.276 3.899 4.170 0.008 0.000 0.245 48 I C 2.070 178.249 176.117 0.103 0.000 1.100 48 I CA 1.164 62.508 61.300 0.073 0.000 1.374 48 I CB -0.332 37.721 38.000 0.090 0.000 1.057 48 I HN 0.204 nan 8.210 nan 0.000 0.413 49 Y N 1.966 122.257 120.300 -0.015 0.000 2.181 49 Y HA -0.225 4.329 4.550 0.007 0.000 0.288 49 Y C 2.643 178.529 175.900 -0.023 0.000 1.146 49 Y CA 1.532 59.626 58.100 -0.010 0.000 1.164 49 Y CB -0.330 38.119 38.460 -0.019 0.000 0.982 49 Y HN -0.026 nan 8.280 nan 0.000 0.515 50 R N -0.692 119.768 120.500 -0.067 0.000 2.066 50 R HA -0.119 4.225 4.340 0.008 0.000 0.232 50 R C 2.486 178.688 176.300 -0.162 0.000 1.131 50 R CA 1.579 57.579 56.100 -0.167 0.000 0.955 50 R CB -0.476 29.780 30.300 -0.074 0.000 0.851 50 R HN 0.211 nan 8.270 nan 0.000 0.432 51 S N 0.705 116.338 115.700 -0.112 0.000 2.383 51 S HA -0.174 4.300 4.470 0.008 0.000 0.229 51 S C 1.998 176.448 174.600 -0.249 0.000 1.030 51 S CA 1.293 59.405 58.200 -0.146 0.000 1.002 51 S CB -0.211 62.928 63.200 -0.103 0.000 0.829 51 S HN 0.485 nan 8.310 nan 0.000 0.467 52 A N 1.835 124.520 122.820 -0.225 0.000 1.832 52 A HA 0.035 4.359 4.320 0.008 0.000 0.214 52 A C 2.087 179.504 177.584 -0.279 0.000 1.200 52 A CA 1.142 52.985 52.037 -0.324 0.000 0.610 52 A CB -1.035 17.961 19.000 -0.006 0.000 0.842 52 A HN 0.406 nan 8.150 nan 0.000 0.444 53 L N -0.695 120.399 121.223 -0.215 0.000 2.054 53 L HA -0.371 3.974 4.340 0.008 0.000 0.220 53 L C 3.053 179.833 176.870 -0.149 0.000 1.081 53 L CA 1.634 56.356 54.840 -0.196 0.000 0.780 53 L CB -0.722 41.130 42.059 -0.346 0.000 0.893 53 L HN 0.534 nan 8.230 nan 0.000 0.438 54 A N -0.339 122.370 122.820 -0.186 0.000 1.825 54 A HA -0.235 4.090 4.320 0.008 0.000 0.214 54 A C 2.389 179.876 177.584 -0.162 0.000 1.206 54 A CA 1.699 53.647 52.037 -0.149 0.000 0.609 54 A CB -0.723 18.191 19.000 -0.143 0.000 0.851 54 A HN 0.308 nan 8.150 nan 0.000 0.445 55 R N -1.613 118.716 120.500 -0.284 0.000 2.119 55 R HA -0.146 4.198 4.340 0.008 0.000 0.246 55 R C -0.067 176.121 176.300 -0.187 0.000 1.146 55 R CA 1.338 57.237 56.100 -0.335 0.000 0.962 55 R CB -0.289 29.646 30.300 -0.608 0.000 0.863 55 R HN 0.424 nan 8.270 nan 0.000 0.442 56 F N 0.000 119.936 119.950 -0.023 0.000 0.000 56 F HA 0.000 4.531 4.527 0.006 0.000 0.000 56 F CA 0.000 57.990 58.000 -0.016 0.000 0.000 56 F CB 0.000 38.994 39.000 -0.010 0.000 0.000 56 F HN 0.000 nan 8.300 nan 0.000 0.000