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 2d0n_1_A DATA FIRST_RESID 264 DATA SEQUENCE GSPWARALYD FEALEEDELG FRSGEVVEVL DSSNPSWWTG RLHNKLGLFP DATA SEQUENCE ANYVAPMMR 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 264 G HA2 0.000 nan 3.960 nan 0.000 0.244 264 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 264 G C 0.000 174.895 174.900 -0.009 0.000 0.946 264 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 265 S N 1.665 117.382 115.700 0.029 0.000 2.607 265 S HA 0.748 5.222 4.470 0.006 0.000 0.303 265 S C -2.717 171.904 174.600 0.035 0.000 1.086 265 S CA -0.752 57.482 58.200 0.056 0.000 0.995 265 S CB 2.239 65.519 63.200 0.133 0.000 1.084 265 S HN 0.213 nan 8.310 nan 0.000 0.507 266 P HA 0.253 nan 4.420 nan 0.000 0.272 266 P C -1.179 176.284 177.300 0.272 0.000 1.223 266 P CA -0.292 62.831 63.100 0.038 0.000 0.784 266 P CB 0.332 32.033 31.700 0.002 0.000 0.923 267 W N 0.608 121.903 121.300 -0.009 0.000 2.639 267 W HA 0.710 5.373 4.660 0.005 0.000 0.347 267 W C -0.524 176.000 176.519 0.007 0.000 1.067 267 W CA -0.737 56.601 57.345 -0.010 0.000 1.218 267 W CB 1.268 30.711 29.460 -0.029 0.000 1.393 267 W HN 0.331 nan 8.180 nan 0.000 0.557 268 A N 2.387 125.323 122.820 0.193 0.000 2.455 268 A HA 0.696 5.020 4.320 0.006 0.000 0.300 268 A C -1.052 176.492 177.584 -0.065 0.000 1.040 268 A CA -0.938 51.166 52.037 0.112 0.000 0.697 268 A CB 1.459 20.595 19.000 0.227 0.000 1.265 268 A HN 0.493 nan 8.150 nan 0.000 0.407 269 R N 1.892 122.354 120.500 -0.063 0.000 2.298 269 R HA 0.564 4.908 4.340 0.006 0.000 0.310 269 R C 0.241 176.387 176.300 -0.256 0.000 1.068 269 R CA 0.496 56.504 56.100 -0.153 0.000 0.957 269 R CB 0.584 30.828 30.300 -0.095 0.000 1.003 269 R HN 1.046 nan 8.270 nan 0.000 0.454 270 A N 5.695 128.281 122.820 -0.390 0.000 2.451 270 A HA 0.186 4.510 4.320 0.006 0.000 0.266 270 A C 0.687 178.102 177.584 -0.282 0.000 1.119 270 A CA -0.246 51.530 52.037 -0.435 0.000 0.786 270 A CB -0.036 18.590 19.000 -0.624 0.000 1.061 270 A HN 0.945 nan 8.150 nan 0.000 0.503 271 L N 1.675 122.663 121.223 -0.393 0.000 2.375 271 L HA 0.130 4.474 4.340 0.006 0.000 0.215 271 L C -0.363 175.968 176.870 -0.898 0.000 1.108 271 L CA 0.561 54.968 54.840 -0.721 0.000 0.830 271 L CB -0.308 41.058 42.059 -1.156 0.000 0.959 271 L HN 0.765 nan 8.230 nan 0.000 0.457 272 Y N -2.043 118.280 120.300 0.037 0.000 2.609 272 Y HA 0.382 4.935 4.550 0.005 0.000 0.342 272 Y C -0.438 175.646 175.900 0.307 0.000 1.058 272 Y CA -2.220 55.901 58.100 0.035 0.000 1.055 272 Y CB 0.414 38.715 38.460 -0.265 0.000 1.292 272 Y HN -0.216 nan 8.280 nan 0.000 0.476 273 D N 1.266 121.906 120.400 0.400 0.000 2.414 273 D HA 0.173 4.816 4.640 0.006 0.000 0.242 273 D C -1.165 175.399 176.300 0.440 0.000 1.129 273 D CA 0.512 54.736 54.000 0.374 0.000 0.885 273 D CB 0.609 41.533 40.800 0.207 0.000 1.198 273 D HN 0.374 nan 8.370 nan 0.000 0.437 274 F N 1.339 121.256 119.950 -0.054 0.000 2.536 274 F HA 0.213 4.744 4.527 0.008 0.000 0.322 274 F C -0.394 175.235 175.800 -0.286 0.000 1.144 274 F CA -1.052 56.760 58.000 -0.312 0.000 0.924 274 F CB 1.363 39.757 39.000 -1.009 0.000 1.181 274 F HN 0.176 nan 8.300 nan 0.000 0.438 275 E N 5.231 125.008 120.200 -0.705 0.000 2.089 275 E HA 0.573 4.927 4.350 0.006 0.000 0.284 275 E C -0.606 175.388 176.600 -1.008 0.000 1.023 275 E CA -0.687 55.329 56.400 -0.641 0.000 0.819 275 E CB 0.995 30.519 29.700 -0.293 0.000 1.076 275 E HN 0.832 nan 8.360 nan 0.000 0.396 276 A N 5.002 127.312 122.820 -0.850 0.000 2.520 276 A HA 0.108 4.431 4.320 0.006 0.000 0.245 276 A C 0.470 177.880 177.584 -0.290 0.000 1.072 276 A CA 0.106 51.809 52.037 -0.556 0.000 0.761 276 A CB 0.156 19.001 19.000 -0.258 0.000 1.004 276 A HN 0.870 nan 8.150 nan 0.000 0.499 277 L N 1.256 122.374 121.223 -0.175 0.000 2.808 277 L HA 0.308 4.651 4.340 0.006 0.000 0.246 277 L C 0.453 177.291 176.870 -0.054 0.000 1.153 277 L CA 0.344 55.129 54.840 -0.092 0.000 0.956 277 L CB -0.044 41.978 42.059 -0.062 0.000 1.270 277 L HN 0.755 nan 8.230 nan 0.000 0.528 278 E N -0.480 119.695 120.200 -0.042 0.000 2.413 278 E HA 0.174 4.527 4.350 0.006 0.000 0.277 278 E C -0.119 176.472 176.600 -0.014 0.000 0.958 278 E CA -0.634 55.747 56.400 -0.030 0.000 0.779 278 E CB 1.894 31.571 29.700 -0.038 0.000 1.278 278 E HN -0.092 nan 8.360 nan 0.000 0.456 279 E N 1.050 121.244 120.200 -0.010 0.000 2.267 279 E HA -0.182 4.172 4.350 0.006 0.000 0.197 279 E C 0.938 177.555 176.600 0.028 0.000 0.998 279 E CA 1.223 57.627 56.400 0.006 0.000 0.830 279 E CB 0.055 29.756 29.700 0.002 0.000 0.751 279 E HN 0.493 nan 8.360 nan 0.000 0.491 280 D N 0.133 120.546 120.400 0.022 0.000 2.339 280 D HA -0.034 4.609 4.640 0.006 0.000 0.217 280 D C 0.101 176.453 176.300 0.088 0.000 1.050 280 D CA 0.045 54.068 54.000 0.038 0.000 0.856 280 D CB -0.122 40.675 40.800 -0.004 0.000 0.922 280 D HN 0.062 nan 8.370 nan 0.000 0.518 281 E N -0.114 120.152 120.200 0.110 0.000 2.283 281 E HA 0.386 4.740 4.350 0.006 0.000 0.271 281 E C -0.857 175.906 176.600 0.271 0.000 1.031 281 E CA -0.970 55.577 56.400 0.245 0.000 0.868 281 E CB 1.893 31.755 29.700 0.271 0.000 1.094 281 E HN 0.011 nan 8.360 nan 0.000 0.401 282 L N 2.446 123.946 121.223 0.462 0.000 2.297 282 L HA 0.385 4.728 4.340 0.006 0.000 0.277 282 L C -0.005 177.082 176.870 0.362 0.000 1.040 282 L CA -0.027 55.059 54.840 0.410 0.000 0.867 282 L CB 0.609 42.977 42.059 0.516 0.000 1.244 282 L HN 0.556 nan 8.230 nan 0.000 0.433 283 G N 3.426 112.273 108.800 0.078 0.000 2.539 283 G HA2 0.495 4.459 3.960 0.006 0.000 0.258 283 G HA3 0.495 4.459 3.960 0.006 0.000 0.258 283 G C -0.950 173.981 174.900 0.051 0.000 1.202 283 G CA -0.160 44.822 45.100 -0.197 0.000 0.851 283 G HN 0.619 nan 8.290 nan 0.000 0.556 284 F N -1.497 118.541 119.950 0.147 0.000 2.773 284 F HA 0.724 5.254 4.527 0.005 0.000 0.314 284 F C -0.888 174.984 175.800 0.119 0.000 1.160 284 F CA -1.867 56.206 58.000 0.122 0.000 0.920 284 F CB 1.020 40.064 39.000 0.074 0.000 1.323 284 F HN 0.285 nan 8.300 nan 0.000 0.457 285 R N 1.167 121.936 120.500 0.448 0.000 2.460 285 R HA 0.476 4.819 4.340 0.006 0.000 0.303 285 R C -0.600 175.870 176.300 0.283 0.000 0.968 285 R CA -0.705 55.572 56.100 0.294 0.000 0.889 285 R CB 1.550 31.948 30.300 0.163 0.000 1.123 285 R HN 0.942 nan 8.270 nan 0.000 0.455 286 S N 0.201 116.046 115.700 0.241 0.000 2.599 286 S HA 0.125 4.599 4.470 0.006 0.000 0.303 286 S C 1.260 175.869 174.600 0.015 0.000 1.267 286 S CA 0.557 58.815 58.200 0.096 0.000 1.055 286 S CB 0.276 63.511 63.200 0.059 0.000 0.790 286 S HN 0.944 nan 8.310 nan 0.000 0.500 287 G N 1.935 110.697 108.800 -0.064 0.000 2.284 287 G HA2 -0.238 3.726 3.960 0.006 0.000 0.230 287 G HA3 -0.238 3.726 3.960 0.006 0.000 0.230 287 G C -0.083 174.749 174.900 -0.114 0.000 1.021 287 G CA 0.105 45.158 45.100 -0.079 0.000 0.619 287 G HN 0.842 nan 8.290 nan 0.000 0.510 288 E N -0.035 120.093 120.200 -0.119 0.000 2.422 288 E HA 0.400 4.754 4.350 0.006 0.000 0.260 288 E C -0.191 176.230 176.600 -0.297 0.000 1.108 288 E CA 0.231 56.523 56.400 -0.181 0.000 0.943 288 E CB 1.435 31.059 29.700 -0.126 0.000 0.961 288 E HN 0.169 nan 8.360 nan 0.000 0.443 289 V N 2.854 122.567 119.914 -0.336 0.000 2.350 289 V HA 0.163 4.286 4.120 0.006 0.000 0.285 289 V C -0.211 175.591 176.094 -0.487 0.000 1.014 289 V CA -0.661 61.405 62.300 -0.389 0.000 0.831 289 V CB 1.491 33.077 31.823 -0.396 0.000 1.000 289 V HN 0.344 nan 8.190 nan 0.000 0.433 290 V N 4.541 124.197 119.914 -0.430 0.000 2.481 290 V HA 0.327 4.451 4.120 0.006 0.000 0.286 290 V C 0.334 176.304 176.094 -0.208 0.000 1.042 290 V CA -0.725 61.350 62.300 -0.374 0.000 0.928 290 V CB 1.640 33.139 31.823 -0.540 0.000 0.986 290 V HN 0.884 nan 8.190 nan 0.000 0.462 291 E N 3.006 123.122 120.200 -0.141 0.000 2.129 291 E HA 0.233 4.587 4.350 0.006 0.000 0.283 291 E C -0.823 175.876 176.600 0.164 0.000 1.080 291 E CA -0.361 56.081 56.400 0.070 0.000 0.867 291 E CB 1.387 31.129 29.700 0.070 0.000 1.056 291 E HN 0.457 nan 8.360 nan 0.000 0.404 292 V N 6.310 126.352 119.914 0.214 0.000 2.313 292 V HA -0.004 4.119 4.120 0.006 0.000 0.252 292 V C 1.293 177.441 176.094 0.090 0.000 1.112 292 V CA 0.156 62.582 62.300 0.211 0.000 0.984 292 V CB -0.246 31.681 31.823 0.172 0.000 1.157 292 V HN 0.759 nan 8.190 nan 0.000 0.493 293 L N 1.440 122.731 121.223 0.115 0.000 2.141 293 L HA 0.094 4.438 4.340 0.006 0.000 0.209 293 L C 0.723 177.583 176.870 -0.017 0.000 1.094 293 L CA 1.189 56.062 54.840 0.055 0.000 0.763 293 L CB 0.045 42.151 42.059 0.078 0.000 0.908 293 L HN 0.588 nan 8.230 nan 0.000 0.437 294 D N -1.022 119.346 120.400 -0.053 0.000 2.616 294 D HA 0.141 4.785 4.640 0.006 0.000 0.238 294 D C -0.063 176.025 176.300 -0.354 0.000 1.354 294 D CA -0.187 53.733 54.000 -0.132 0.000 0.970 294 D CB 1.469 42.245 40.800 -0.040 0.000 1.369 294 D HN -0.062 nan 8.370 nan 0.000 0.585 295 S N 0.944 116.278 115.700 -0.610 0.000 2.601 295 S HA 0.087 4.561 4.470 0.006 0.000 0.244 295 S C 1.412 175.687 174.600 -0.540 0.000 1.001 295 S CA 0.045 57.454 58.200 -1.319 0.000 0.984 295 S CB -0.006 62.264 63.200 -1.550 0.000 0.842 295 S HN 0.295 nan 8.310 nan 0.000 0.474 296 S N 1.478 117.051 115.700 -0.211 0.000 2.395 296 S HA -0.004 4.470 4.470 0.006 0.000 0.225 296 S C 0.842 175.494 174.600 0.086 0.000 1.027 296 S CA 0.051 58.228 58.200 -0.039 0.000 0.965 296 S CB -0.656 62.527 63.200 -0.027 0.000 0.812 296 S HN 0.612 nan 8.310 nan 0.000 0.482 297 N N 2.883 121.679 118.700 0.159 0.000 2.520 297 N HA 0.156 4.900 4.740 0.006 0.000 0.273 297 N C -1.877 173.820 175.510 0.312 0.000 1.155 297 N CA -1.327 51.855 53.050 0.219 0.000 0.967 297 N CB 1.534 40.160 38.487 0.231 0.000 1.092 297 N HN 0.115 nan 8.380 nan 0.000 0.457 298 P HA 0.073 nan 4.420 nan 0.000 0.231 298 P C 0.503 177.795 177.300 -0.013 0.000 1.168 298 P CA 0.591 63.775 63.100 0.140 0.000 0.779 298 P CB 0.608 32.360 31.700 0.087 0.000 0.844 299 S N -2.011 113.685 115.700 -0.007 0.000 2.566 299 S HA 0.120 4.594 4.470 0.006 0.000 0.234 299 S C -0.104 174.230 174.600 -0.444 0.000 1.075 299 S CA 0.164 58.268 58.200 -0.159 0.000 0.926 299 S CB -0.066 63.190 63.200 0.094 0.000 0.811 299 S HN 0.146 nan 8.310 nan 0.000 0.518 300 W N 0.917 122.116 121.300 -0.168 0.000 2.647 300 W HA 0.516 5.180 4.660 0.006 0.000 0.328 300 W C -1.269 175.178 176.519 -0.120 0.000 1.018 300 W CA -0.891 56.311 57.345 -0.239 0.000 1.245 300 W CB 0.677 30.047 29.460 -0.149 0.000 1.356 300 W HN 0.112 nan 8.180 nan 0.000 0.443 301 W N 1.434 122.430 121.300 -0.506 0.000 2.415 301 W HA 0.582 5.243 4.660 0.002 0.000 0.355 301 W C 0.132 176.391 176.519 -0.432 0.000 1.161 301 W CA -1.284 55.755 57.345 -0.509 0.000 1.315 301 W CB 0.837 29.904 29.460 -0.655 0.000 1.261 301 W HN -0.097 nan 8.180 nan 0.000 0.636 302 T N 1.434 116.057 114.554 0.115 0.000 2.771 302 T HA 0.638 4.992 4.350 0.006 0.000 0.281 302 T C 0.143 175.089 174.700 0.410 0.000 0.982 302 T CA -0.373 61.862 62.100 0.225 0.000 0.978 302 T CB 1.193 70.150 68.868 0.148 0.000 0.930 302 T HN 0.509 nan 8.240 nan 0.000 0.447 303 G N 1.651 110.812 108.800 0.601 0.000 2.600 303 G HA2 0.714 4.678 3.960 0.006 0.000 0.303 303 G HA3 0.714 4.678 3.960 0.006 0.000 0.303 303 G C -1.272 173.801 174.900 0.289 0.000 1.253 303 G CA -0.933 44.496 45.100 0.548 0.000 0.974 303 G HN 0.668 nan 8.290 nan 0.000 0.483 304 R N -0.059 120.541 120.500 0.167 0.000 2.513 304 R HA 0.707 5.051 4.340 0.006 0.000 0.301 304 R C -1.902 174.405 176.300 0.012 0.000 0.968 304 R CA -0.608 55.551 56.100 0.098 0.000 0.872 304 R CB 1.473 31.817 30.300 0.074 0.000 1.177 304 R HN 0.453 nan 8.270 nan 0.000 0.444 305 L N 2.801 124.036 121.223 0.020 0.000 2.556 305 L HA 0.341 4.685 4.340 0.006 0.000 0.257 305 L C -0.921 175.931 176.870 -0.031 0.000 0.955 305 L CA 0.000 54.780 54.840 -0.100 0.000 0.850 305 L CB 1.672 43.691 42.059 -0.067 0.000 1.398 305 L HN 0.940 nan 8.230 nan 0.000 0.412 306 H N 3.865 122.933 119.070 -0.004 0.000 2.690 306 H HA -0.163 4.397 4.556 0.006 0.000 0.309 306 H C 0.470 175.808 175.328 0.016 0.000 1.138 306 H CA 0.905 56.957 56.048 0.006 0.000 1.142 306 H CB -1.195 28.577 29.762 0.017 0.000 1.410 306 H HN 0.714 nan 8.280 nan 0.000 0.409 307 N N -2.174 116.561 118.700 0.058 0.000 2.828 307 N HA -0.182 4.562 4.740 0.006 0.000 0.248 307 N C -0.321 175.230 175.510 0.068 0.000 1.044 307 N CA 1.802 54.885 53.050 0.054 0.000 0.851 307 N CB -0.614 37.908 38.487 0.059 0.000 1.136 307 N HN 0.598 nan 8.380 nan 0.000 0.572 308 K N 0.252 120.706 120.400 0.089 0.000 2.400 308 K HA 0.685 5.008 4.320 0.006 0.000 0.246 308 K C -0.003 176.665 176.600 0.113 0.000 0.995 308 K CA -0.712 55.632 56.287 0.095 0.000 0.840 308 K CB 1.983 34.545 32.500 0.103 0.000 1.293 308 K HN -0.099 nan 8.250 nan 0.000 0.445 309 L N 0.765 122.058 121.223 0.116 0.000 2.344 309 L HA 0.770 5.114 4.340 0.006 0.000 0.272 309 L C 0.248 177.223 176.870 0.175 0.000 1.035 309 L CA -0.585 54.341 54.840 0.144 0.000 0.807 309 L CB 1.703 43.831 42.059 0.116 0.000 1.237 309 L HN 0.913 nan 8.230 nan 0.000 0.442 310 G N 1.539 110.485 108.800 0.243 0.000 2.489 310 G HA2 0.421 4.384 3.960 0.006 0.000 0.291 310 G HA3 0.421 4.384 3.960 0.006 0.000 0.291 310 G C -1.635 173.498 174.900 0.388 0.000 1.487 310 G CA -0.824 44.442 45.100 0.277 0.000 0.795 310 G HN 0.352 nan 8.290 nan 0.000 0.513 311 L N 0.444 121.869 121.223 0.335 0.000 2.395 311 L HA 0.768 5.112 4.340 0.006 0.000 0.269 311 L C -0.044 177.201 176.870 0.625 0.000 1.133 311 L CA -0.532 54.529 54.840 0.368 0.000 0.812 311 L CB 0.872 43.044 42.059 0.189 0.000 1.125 311 L HN 0.652 nan 8.230 nan 0.000 0.452 312 F N 1.263 121.494 119.950 0.468 0.000 2.668 312 F HA 0.651 5.181 4.527 0.006 0.000 0.309 312 F C -2.977 172.527 175.800 -0.493 0.000 1.117 312 F CA -3.109 54.879 58.000 -0.019 0.000 0.951 312 F CB 0.693 39.795 39.000 0.171 0.000 1.323 312 F HN 0.104 nan 8.300 nan 0.000 0.451 313 P HA 0.228 nan 4.420 nan 0.000 0.271 313 P C 0.277 177.173 177.300 -0.674 0.000 1.233 313 P CA 0.195 62.514 63.100 -1.302 0.000 0.764 313 P CB 1.200 32.034 31.700 -1.443 0.000 0.825 314 A N 4.862 127.140 122.820 -0.903 0.000 1.972 314 A HA -0.210 4.114 4.320 0.006 0.000 0.219 314 A C 1.732 178.921 177.584 -0.658 0.000 1.169 314 A CA 1.614 52.934 52.037 -1.194 0.000 0.635 314 A CB -1.055 16.845 19.000 -1.832 0.000 0.810 314 A HN 0.649 nan 8.150 nan 0.000 0.446 315 N N -1.614 116.869 118.700 -0.362 0.000 2.515 315 N HA -0.110 4.634 4.740 0.006 0.000 0.185 315 N C 0.760 176.382 175.510 0.187 0.000 1.109 315 N CA 0.705 53.695 53.050 -0.100 0.000 0.903 315 N CB -0.527 37.925 38.487 -0.057 0.000 0.969 315 N HN 0.471 nan 8.380 nan 0.000 0.450 316 Y N 1.248 121.557 120.300 0.015 0.000 2.578 316 Y HA 0.118 4.671 4.550 0.005 0.000 0.297 316 Y C 1.258 177.188 175.900 0.050 0.000 1.176 316 Y CA -0.399 57.847 58.100 0.243 0.000 1.315 316 Y CB -0.082 38.598 38.460 0.367 0.000 1.031 316 Y HN 0.031 nan 8.280 nan 0.000 0.524 317 V N -3.026 116.945 119.914 0.096 0.000 3.102 317 V HA 0.985 5.109 4.120 0.006 0.000 0.312 317 V C -0.671 175.412 176.094 -0.019 0.000 1.135 317 V CA -1.519 60.765 62.300 -0.028 0.000 1.022 317 V CB 1.593 33.426 31.823 0.016 0.000 1.056 317 V HN -0.096 nan 8.190 nan 0.000 0.436 318 A N 2.662 125.470 122.820 -0.019 0.000 2.343 318 A HA 0.950 5.274 4.320 0.006 0.000 0.316 318 A C -2.912 174.727 177.584 0.092 0.000 1.104 318 A CA -2.027 50.029 52.037 0.033 0.000 0.768 318 A CB 1.314 20.305 19.000 -0.014 0.000 1.213 318 A HN 0.768 nan 8.150 nan 0.000 0.456 319 P HA 0.067 nan 4.420 nan 0.000 0.262 319 P C -0.388 176.971 177.300 0.097 0.000 1.182 319 P CA 0.768 63.961 63.100 0.155 0.000 0.761 319 P CB 0.207 31.997 31.700 0.149 0.000 0.795 320 M N 3.937 123.603 119.600 0.110 0.000 2.146 320 M HA 0.239 4.723 4.480 0.006 0.000 0.357 320 M C 0.922 177.250 176.300 0.047 0.000 1.261 320 M CA 0.026 55.378 55.300 0.086 0.000 1.106 320 M CB 0.822 33.507 32.600 0.143 0.000 1.612 320 M HN 0.236 nan 8.290 nan 0.000 0.470 321 M N 1.355 120.969 119.600 0.024 0.000 2.371 321 M HA 0.226 4.709 4.480 0.006 0.000 0.246 321 M C 0.614 176.902 176.300 -0.020 0.000 1.103 321 M CA 0.352 55.653 55.300 0.001 0.000 1.010 321 M CB -0.691 31.913 32.600 0.007 0.000 1.457 321 M HN 0.861 nan 8.290 nan 0.000 0.486 322 R N 0.000 120.489 120.500 -0.019 0.000 0.000 322 R HA 0.000 4.344 4.340 0.006 0.000 0.000 322 R CA 0.000 56.081 56.100 -0.032 0.000 0.000 322 R CB 0.000 30.290 30.300 -0.016 0.000 0.000 322 R HN 0.000 nan 8.270 nan 0.000 0.000