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 1uti_1_A DATA FIRST_RESID 1 DATA SEQUENCE VRWARALYDF EALEEDELGF RSGEVVEVLD SSNPSWWTGR LHNKLGLFPA DATA SEQUENCE NYVAPMM 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 175.976 176.094 -0.196 0.000 1.182 1 V CA 0.000 62.212 62.300 -0.147 0.000 1.235 1 V CB 0.000 31.700 31.823 -0.205 0.000 1.184 2 R N 1.522 121.921 120.500 -0.168 0.000 2.221 2 R HA 0.213 4.506 4.340 -0.078 0.000 0.195 2 R C -0.641 175.243 176.300 -0.693 0.000 0.956 2 R CA 0.737 56.577 56.100 -0.434 0.000 1.064 2 R CB 0.736 30.793 30.300 -0.405 0.000 1.049 2 R HN 0.629 nan 8.270 nan 0.000 0.534 3 W N -0.075 121.240 121.300 0.025 0.000 3.022 3 W HA 0.644 5.242 4.660 -0.105 0.000 0.335 3 W C -0.884 175.669 176.519 0.056 0.000 1.133 3 W CA -0.776 56.585 57.345 0.026 0.000 1.219 3 W CB 1.730 31.190 29.460 -0.001 0.000 1.409 3 W HN -0.082 nan 8.180 nan 0.000 0.507 4 A N 2.376 125.363 122.820 0.280 0.000 2.549 4 A HA 0.851 5.124 4.320 -0.078 0.000 0.297 4 A C -1.635 175.964 177.584 0.024 0.000 1.061 4 A CA -1.072 51.071 52.037 0.176 0.000 0.690 4 A CB 1.932 21.097 19.000 0.275 0.000 1.287 4 A HN 0.707 nan 8.150 nan 0.000 0.402 5 R N 1.545 122.025 120.500 -0.033 0.000 2.393 5 R HA 0.655 4.947 4.340 -0.078 0.000 0.310 5 R C 0.011 176.183 176.300 -0.214 0.000 0.968 5 R CA -0.197 55.828 56.100 -0.126 0.000 0.867 5 R CB 1.370 31.619 30.300 -0.086 0.000 1.124 5 R HN 1.102 nan 8.270 nan 0.000 0.450 6 A N 5.091 127.706 122.820 -0.343 0.000 2.492 6 A HA 0.137 4.410 4.320 -0.078 0.000 0.254 6 A C 0.814 178.280 177.584 -0.197 0.000 1.091 6 A CA -0.174 51.644 52.037 -0.365 0.000 0.768 6 A CB 0.146 18.848 19.000 -0.498 0.000 1.028 6 A HN 0.943 nan 8.150 nan 0.000 0.498 7 L N 1.485 122.571 121.223 -0.227 0.000 2.307 7 L HA 0.120 4.413 4.340 -0.078 0.000 0.211 7 L C -0.327 176.050 176.870 -0.821 0.000 1.099 7 L CA 0.700 55.200 54.840 -0.565 0.000 0.816 7 L CB -0.246 41.347 42.059 -0.777 0.000 0.952 7 L HN 0.770 nan 8.230 nan 0.000 0.455 8 Y N -1.986 118.344 120.300 0.050 0.000 2.588 8 Y HA 0.313 4.818 4.550 -0.074 0.000 0.343 8 Y C -0.454 175.654 175.900 0.347 0.000 1.065 8 Y CA -1.989 56.155 58.100 0.074 0.000 1.038 8 Y CB 0.623 38.953 38.460 -0.216 0.000 1.297 8 Y HN -0.205 nan 8.280 nan 0.000 0.467 9 D N 1.568 122.231 120.400 0.439 0.000 2.455 9 D HA 0.091 4.684 4.640 -0.078 0.000 0.241 9 D C -1.058 175.531 176.300 0.480 0.000 1.138 9 D CA 0.698 54.935 54.000 0.396 0.000 0.877 9 D CB 0.426 41.365 40.800 0.233 0.000 1.187 9 D HN 0.342 nan 8.370 nan 0.000 0.451 10 F N 1.718 121.682 119.950 0.023 0.000 2.493 10 F HA 0.303 4.778 4.527 -0.088 0.000 0.329 10 F C -0.345 175.309 175.800 -0.243 0.000 1.126 10 F CA -1.249 56.605 58.000 -0.244 0.000 0.937 10 F CB 1.601 40.127 39.000 -0.789 0.000 1.146 10 F HN 0.038 nan 8.300 nan 0.000 0.442 11 E N 4.494 124.222 120.200 -0.786 0.000 2.146 11 E HA 0.594 4.897 4.350 -0.078 0.000 0.282 11 E C -0.844 175.115 176.600 -1.068 0.000 0.989 11 E CA -0.478 55.514 56.400 -0.679 0.000 0.799 11 E CB 1.209 30.718 29.700 -0.318 0.000 1.088 11 E HN 0.754 nan 8.360 nan 0.000 0.397 12 A N 5.340 127.698 122.820 -0.769 0.000 2.451 12 A HA 0.246 4.518 4.320 -0.078 0.000 0.266 12 A C 0.330 177.762 177.584 -0.255 0.000 1.119 12 A CA -0.035 51.713 52.037 -0.481 0.000 0.786 12 A CB 0.054 18.933 19.000 -0.200 0.000 1.061 12 A HN 0.866 nan 8.150 nan 0.000 0.503 13 L N 1.318 122.446 121.223 -0.158 0.000 2.817 13 L HA 0.257 4.550 4.340 -0.078 0.000 0.248 13 L C 0.580 177.422 176.870 -0.048 0.000 1.133 13 L CA 0.330 55.120 54.840 -0.084 0.000 0.935 13 L CB 0.069 42.096 42.059 -0.053 0.000 1.266 13 L HN 0.702 nan 8.230 nan 0.000 0.535 14 E N -0.162 120.014 120.200 -0.040 0.000 2.359 14 E HA 0.132 4.435 4.350 -0.078 0.000 0.266 14 E C -0.202 176.378 176.600 -0.033 0.000 0.920 14 E CA -0.393 55.980 56.400 -0.044 0.000 0.788 14 E CB 2.353 32.009 29.700 -0.073 0.000 1.279 14 E HN -0.053 nan 8.360 nan 0.000 0.438 15 E N 0.871 121.051 120.200 -0.033 0.000 2.153 15 E HA -0.207 4.096 4.350 -0.078 0.000 0.194 15 E C 0.898 177.495 176.600 -0.003 0.000 0.988 15 E CA 1.776 58.166 56.400 -0.017 0.000 0.811 15 E CB 0.188 29.876 29.700 -0.019 0.000 0.746 15 E HN 0.455 nan 8.360 nan 0.000 0.466 16 D N -0.312 120.076 120.400 -0.020 0.000 2.328 16 D HA -0.011 4.582 4.640 -0.078 0.000 0.221 16 D C -0.296 176.028 176.300 0.040 0.000 1.072 16 D CA 0.061 54.057 54.000 -0.007 0.000 0.850 16 D CB -0.156 40.611 40.800 -0.055 0.000 0.922 16 D HN 0.172 nan 8.370 nan 0.000 0.516 17 E N -0.007 120.236 120.200 0.072 0.000 2.242 17 E HA 0.410 4.713 4.350 -0.078 0.000 0.275 17 E C -0.940 175.809 176.600 0.248 0.000 1.002 17 E CA -1.109 55.417 56.400 0.210 0.000 0.841 17 E CB 2.167 32.006 29.700 0.232 0.000 1.109 17 E HN 0.021 nan 8.360 nan 0.000 0.394 18 L N 2.342 123.815 121.223 0.418 0.000 2.277 18 L HA 0.419 4.712 4.340 -0.078 0.000 0.284 18 L C -0.011 177.060 176.870 0.336 0.000 1.028 18 L CA -0.069 54.993 54.840 0.371 0.000 0.835 18 L CB 0.889 43.228 42.059 0.467 0.000 1.215 18 L HN 0.568 nan 8.230 nan 0.000 0.425 19 G N 3.823 112.684 108.800 0.101 0.000 2.503 19 G HA2 0.502 4.415 3.960 -0.078 0.000 0.257 19 G HA3 0.502 4.415 3.960 -0.078 0.000 0.257 19 G C -0.992 173.950 174.900 0.068 0.000 1.214 19 G CA -0.205 44.826 45.100 -0.116 0.000 0.839 19 G HN 0.658 nan 8.290 nan 0.000 0.559 20 F N -1.645 118.426 119.950 0.202 0.000 2.741 20 F HA 0.699 5.195 4.527 -0.052 0.000 0.313 20 F C -0.492 175.404 175.800 0.160 0.000 1.153 20 F CA -1.856 56.245 58.000 0.168 0.000 0.931 20 F CB 1.105 40.174 39.000 0.115 0.000 1.335 20 F HN 0.416 nan 8.300 nan 0.000 0.460 21 R N 0.331 121.095 120.500 0.441 0.000 2.598 21 R HA 0.545 4.838 4.340 -0.078 0.000 0.279 21 R C -0.256 176.224 176.300 0.298 0.000 0.984 21 R CA -1.140 55.145 56.100 0.309 0.000 0.999 21 R CB 1.846 32.258 30.300 0.186 0.000 1.114 21 R HN 0.819 nan 8.270 nan 0.000 0.493 22 S N 0.181 116.018 115.700 0.228 0.000 2.593 22 S HA 0.128 4.551 4.470 -0.078 0.000 0.300 22 S C 1.246 175.866 174.600 0.032 0.000 1.267 22 S CA 1.522 59.787 58.200 0.109 0.000 1.065 22 S CB 0.054 63.291 63.200 0.062 0.000 0.807 22 S HN 0.843 nan 8.310 nan 0.000 0.499 23 G N 3.129 111.905 108.800 -0.039 0.000 2.217 23 G HA2 -0.245 3.668 3.960 -0.078 0.000 0.246 23 G HA3 -0.245 3.668 3.960 -0.078 0.000 0.246 23 G C -0.031 174.830 174.900 -0.065 0.000 0.990 23 G CA 0.360 45.426 45.100 -0.057 0.000 0.627 23 G HN 0.791 nan 8.290 nan 0.000 0.522 24 E N 0.159 120.321 120.200 -0.064 0.000 2.404 24 E HA 0.498 4.801 4.350 -0.078 0.000 0.261 24 E C 0.241 176.742 176.600 -0.165 0.000 1.074 24 E CA -0.127 56.225 56.400 -0.081 0.000 0.917 24 E CB 1.052 30.740 29.700 -0.020 0.000 0.965 24 E HN 0.289 nan 8.360 nan 0.000 0.433 25 V N 4.733 124.575 119.914 -0.120 0.000 2.370 25 V HA 0.273 4.346 4.120 -0.078 0.000 0.283 25 V C -0.517 175.560 176.094 -0.029 0.000 1.023 25 V CA -0.766 61.488 62.300 -0.077 0.000 0.857 25 V CB 1.524 33.317 31.823 -0.051 0.000 0.985 25 V HN 0.476 nan 8.190 nan 0.000 0.443 26 V N 4.367 124.247 119.914 -0.057 0.000 2.427 26 V HA 0.330 4.403 4.120 -0.078 0.000 0.286 26 V C 0.356 176.528 176.094 0.129 0.000 1.034 26 V CA -0.673 61.596 62.300 -0.051 0.000 0.893 26 V CB 1.730 33.338 31.823 -0.359 0.000 0.982 26 V HN 0.937 nan 8.190 nan 0.000 0.452 27 E N 3.552 123.793 120.200 0.067 0.000 2.257 27 E HA 0.257 4.560 4.350 -0.078 0.000 0.278 27 E C -1.054 175.449 176.600 -0.161 0.000 1.049 27 E CA -0.357 55.859 56.400 -0.306 0.000 0.876 27 E CB 1.129 30.639 29.700 -0.317 0.000 1.035 27 E HN 0.510 nan 8.360 nan 0.000 0.419 28 V N 7.235 127.013 119.914 -0.227 0.000 2.406 28 V HA 0.086 4.159 4.120 -0.078 0.000 0.272 28 V C 1.042 177.033 176.094 -0.171 0.000 1.043 28 V CA -0.132 62.139 62.300 -0.048 0.000 0.915 28 V CB 1.164 32.972 31.823 -0.026 0.000 0.988 28 V HN 0.810 nan 8.190 nan 0.000 0.466 29 L N 2.447 123.620 121.223 -0.083 0.000 2.362 29 L HA 0.352 4.645 4.340 -0.078 0.000 0.204 29 L C 0.512 177.296 176.870 -0.142 0.000 1.060 29 L CA 0.620 55.395 54.840 -0.109 0.000 0.827 29 L CB 0.363 42.396 42.059 -0.043 0.000 1.027 29 L HN 0.681 nan 8.230 nan 0.000 0.474 30 D N -1.179 119.128 120.400 -0.156 0.000 2.787 30 D HA 0.222 4.815 4.640 -0.078 0.000 0.246 30 D C 0.091 176.094 176.300 -0.496 0.000 1.150 30 D CA -0.238 53.618 54.000 -0.239 0.000 0.864 30 D CB 1.573 42.292 40.800 -0.134 0.000 1.481 30 D HN -0.027 nan 8.370 nan 0.000 0.509 31 S N 1.027 116.299 115.700 -0.713 0.000 2.749 31 S HA 0.092 4.515 4.470 -0.078 0.000 0.246 31 S C 1.281 175.526 174.600 -0.592 0.000 1.023 31 S CA 0.173 57.531 58.200 -1.405 0.000 1.012 31 S CB -0.098 62.050 63.200 -1.753 0.000 0.942 31 S HN 0.330 nan 8.310 nan 0.000 0.531 32 S N 1.423 116.955 115.700 -0.279 0.000 2.446 32 S HA 0.071 4.493 4.470 -0.078 0.000 0.225 32 S C 0.803 175.418 174.600 0.025 0.000 1.016 32 S CA 0.009 58.155 58.200 -0.091 0.000 0.943 32 S CB -0.681 62.473 63.200 -0.077 0.000 0.786 32 S HN 0.503 nan 8.310 nan 0.000 0.508 33 N N 3.681 122.421 118.700 0.067 0.000 2.452 33 N HA 0.173 4.866 4.740 -0.078 0.000 0.266 33 N C -1.722 173.954 175.510 0.277 0.000 1.175 33 N CA -1.671 51.473 53.050 0.157 0.000 0.945 33 N CB 1.415 40.004 38.487 0.170 0.000 1.063 33 N HN 0.135 nan 8.380 nan 0.000 0.472 34 P HA 0.021 nan 4.420 nan 0.000 0.229 34 P C 0.552 177.877 177.300 0.042 0.000 1.160 34 P CA 0.679 63.880 63.100 0.169 0.000 0.777 34 P CB 0.588 32.345 31.700 0.095 0.000 0.814 35 S N -1.733 113.989 115.700 0.037 0.000 2.452 35 S HA 0.074 4.497 4.470 -0.078 0.000 0.225 35 S C 0.078 174.459 174.600 -0.365 0.000 1.057 35 S CA 0.376 58.497 58.200 -0.132 0.000 0.949 35 S CB -0.212 63.021 63.200 0.056 0.000 0.836 35 S HN 0.169 nan 8.310 nan 0.000 0.518 36 W N 0.861 122.108 121.300 -0.089 0.000 2.554 36 W HA 0.500 5.111 4.660 -0.083 0.000 0.324 36 W C -1.283 175.215 176.519 -0.035 0.000 1.018 36 W CA -0.937 56.312 57.345 -0.160 0.000 1.243 36 W CB 0.623 30.014 29.460 -0.116 0.000 1.345 36 W HN 0.127 nan 8.180 nan 0.000 0.441 37 W N 1.752 122.802 121.300 -0.417 0.000 2.359 37 W HA 0.546 5.150 4.660 -0.093 0.000 0.344 37 W C 0.191 176.365 176.519 -0.574 0.000 1.170 37 W CA -1.228 55.796 57.345 -0.536 0.000 1.296 37 W CB 0.842 29.891 29.460 -0.684 0.000 1.197 37 W HN -0.055 nan 8.180 nan 0.000 0.618 38 T N 1.486 116.024 114.554 -0.027 0.000 2.824 38 T HA 0.752 5.055 4.350 -0.078 0.000 0.280 38 T C 0.170 175.028 174.700 0.265 0.000 0.995 38 T CA -0.272 61.887 62.100 0.098 0.000 1.009 38 T CB 1.494 70.394 68.868 0.053 0.000 0.955 38 T HN 0.582 nan 8.240 nan 0.000 0.452 39 G N 1.595 110.662 108.800 0.445 0.000 2.682 39 G HA2 0.705 4.618 3.960 -0.078 0.000 0.303 39 G HA3 0.705 4.618 3.960 -0.078 0.000 0.303 39 G C -1.800 173.261 174.900 0.268 0.000 1.341 39 G CA -0.834 44.515 45.100 0.414 0.000 0.784 39 G HN 0.664 nan 8.290 nan 0.000 0.497 40 R N -0.990 119.606 120.500 0.161 0.000 2.673 40 R HA 0.725 5.018 4.340 -0.078 0.000 0.281 40 R C -2.182 174.165 176.300 0.078 0.000 0.991 40 R CA -0.680 55.489 56.100 0.115 0.000 0.896 40 R CB 2.105 32.446 30.300 0.068 0.000 1.201 40 R HN 0.612 nan 8.270 nan 0.000 0.457 41 L N 2.842 124.109 121.223 0.074 0.000 2.549 41 L HA 0.352 4.645 4.340 -0.078 0.000 0.259 41 L C -1.086 175.777 176.870 -0.011 0.000 0.934 41 L CA 0.139 54.948 54.840 -0.052 0.000 0.865 41 L CB 1.536 43.569 42.059 -0.045 0.000 1.352 41 L HN 0.947 nan 8.230 nan 0.000 0.410 42 H N 3.821 122.947 119.070 0.093 0.000 2.791 42 H HA -0.150 4.403 4.556 -0.004 0.000 0.302 42 H C 0.598 175.969 175.328 0.070 0.000 1.198 42 H CA 0.666 56.759 56.048 0.075 0.000 1.145 42 H CB -1.437 28.367 29.762 0.071 0.000 1.385 42 H HN 0.763 nan 8.280 nan 0.000 0.409 43 N N -1.562 117.214 118.700 0.125 0.000 2.732 43 N HA -0.181 4.512 4.740 -0.078 0.000 0.250 43 N C -0.556 175.017 175.510 0.105 0.000 1.097 43 N CA 1.603 54.713 53.050 0.101 0.000 0.812 43 N CB -0.320 38.220 38.487 0.089 0.000 1.148 43 N HN 0.450 nan 8.380 nan 0.000 0.572 44 K N 0.906 121.386 120.400 0.132 0.000 2.159 44 K HA 0.496 4.769 4.320 -0.078 0.000 0.266 44 K C 0.673 177.355 176.600 0.136 0.000 0.975 44 K CA -0.468 55.897 56.287 0.131 0.000 0.865 44 K CB 1.578 34.173 32.500 0.159 0.000 1.087 44 K HN 0.095 nan 8.250 nan 0.000 0.446 45 L N 0.994 122.290 121.223 0.121 0.000 2.322 45 L HA 0.715 5.008 4.340 -0.078 0.000 0.279 45 L C 0.650 177.618 176.870 0.163 0.000 1.036 45 L CA -0.290 54.630 54.840 0.134 0.000 0.807 45 L CB 1.817 43.932 42.059 0.094 0.000 1.226 45 L HN 0.824 nan 8.230 nan 0.000 0.433 46 G N 2.129 111.063 108.800 0.223 0.000 2.451 46 G HA2 0.459 4.372 3.960 -0.078 0.000 0.292 46 G HA3 0.459 4.372 3.960 -0.078 0.000 0.292 46 G C -1.917 173.188 174.900 0.341 0.000 1.427 46 G CA -0.832 44.415 45.100 0.244 0.000 0.792 46 G HN 0.318 nan 8.290 nan 0.000 0.498 47 L N 0.232 121.631 121.223 0.294 0.000 2.343 47 L HA 0.844 5.137 4.340 -0.078 0.000 0.275 47 L C -0.221 176.991 176.870 0.570 0.000 1.056 47 L CA -0.673 54.349 54.840 0.303 0.000 0.804 47 L CB 1.268 43.394 42.059 0.112 0.000 1.203 47 L HN 0.656 nan 8.230 nan 0.000 0.440 48 F N 0.571 120.795 119.950 0.457 0.000 2.645 48 F HA 0.716 5.217 4.527 -0.044 0.000 0.310 48 F C -2.945 172.661 175.800 -0.324 0.000 1.102 48 F CA -3.124 54.900 58.000 0.040 0.000 0.952 48 F CB 0.659 39.758 39.000 0.164 0.000 1.326 48 F HN 0.123 nan 8.300 nan 0.000 0.456 49 P HA 0.225 nan 4.420 nan 0.000 0.271 49 P C 0.255 177.265 177.300 -0.483 0.000 1.226 49 P CA 0.246 62.760 63.100 -0.976 0.000 0.765 49 P CB 1.281 32.323 31.700 -1.096 0.000 0.835 50 A N 4.842 127.212 122.820 -0.750 0.000 1.940 50 A HA -0.225 4.047 4.320 -0.078 0.000 0.219 50 A C 1.756 179.001 177.584 -0.565 0.000 1.176 50 A CA 1.826 53.224 52.037 -1.065 0.000 0.631 50 A CB -1.128 17.050 19.000 -1.371 0.000 0.814 50 A HN 0.678 nan 8.150 nan 0.000 0.446 51 N N -1.868 116.646 118.700 -0.310 0.000 2.515 51 N HA -0.105 4.588 4.740 -0.078 0.000 0.185 51 N C 0.730 176.305 175.510 0.109 0.000 1.109 51 N CA 0.776 53.764 53.050 -0.103 0.000 0.903 51 N CB -0.421 38.017 38.487 -0.080 0.000 0.969 51 N HN 0.494 nan 8.380 nan 0.000 0.450 52 Y N 1.035 121.310 120.300 -0.042 0.000 2.466 52 Y HA 0.208 4.707 4.550 -0.086 0.000 0.272 52 Y C 1.095 177.079 175.900 0.139 0.000 1.169 52 Y CA -0.523 57.699 58.100 0.204 0.000 1.285 52 Y CB 0.272 38.883 38.460 0.251 0.000 1.078 52 Y HN 0.016 nan 8.280 nan 0.000 0.523 53 V N -2.776 117.202 119.914 0.107 0.000 3.102 53 V HA 0.971 5.043 4.120 -0.078 0.000 0.312 53 V C -0.663 175.405 176.094 -0.043 0.000 1.135 53 V CA -1.528 60.762 62.300 -0.017 0.000 1.022 53 V CB 1.590 33.416 31.823 0.006 0.000 1.056 53 V HN -0.096 nan 8.190 nan 0.000 0.436 54 A N 2.930 125.732 122.820 -0.031 0.000 2.291 54 A HA 0.906 5.179 4.320 -0.078 0.000 0.311 54 A C -2.735 174.893 177.584 0.074 0.000 1.224 54 A CA -1.915 50.124 52.037 0.003 0.000 0.821 54 A CB 0.778 19.759 19.000 -0.032 0.000 1.172 54 A HN 0.771 nan 8.150 nan 0.000 0.494 55 P HA 0.098 nan 4.420 nan 0.000 0.265 55 P C -0.448 176.929 177.300 0.130 0.000 1.187 55 P CA 0.669 63.892 63.100 0.204 0.000 0.766 55 P CB 0.284 32.129 31.700 0.242 0.000 0.820 56 M N 4.993 124.679 119.600 0.144 0.000 2.055 56 M HA 0.451 4.884 4.480 -0.078 0.000 0.347 56 M C 0.129 176.495 176.300 0.110 0.000 1.123 56 M CA 0.214 55.577 55.300 0.105 0.000 1.035 56 M CB 0.127 32.788 32.600 0.103 0.000 1.484 56 M HN 0.332 nan 8.290 nan 0.000 0.428 57 M N 0.000 119.645 119.600 0.075 0.000 2.572 57 M HA 0.000 4.433 4.480 -0.078 0.000 0.227 57 M CA 0.000 55.339 55.300 0.064 0.000 0.988 57 M CB 0.000 32.643 32.600 0.072 0.000 1.302 57 M HN 0.000 nan 8.290 nan 0.000 0.411