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 3hls_1_C DATA FIRST_RESID 345 DATA SEQUENCE SHXATRDLVL LGEQFREEYK LTQELEXLTD RLQLTLRALE DEKKKTDTLL DATA SEQUENCE YSVLPPSVAN ELR 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 345 S HA 0.000 nan 4.470 nan 0.000 0.327 345 S C 0.000 174.529 174.600 -0.119 0.000 1.055 345 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 345 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 349 T N 1.146 115.706 114.554 0.010 0.000 2.653 349 T HA -0.266 4.084 4.350 0.000 0.000 0.268 349 T C 2.100 176.807 174.700 0.013 0.000 1.035 349 T CA 2.363 64.469 62.100 0.011 0.000 1.154 349 T CB -0.432 68.441 68.868 0.009 0.000 0.862 349 T HN 0.834 nan 8.240 nan 0.000 0.441 350 R N 1.526 122.033 120.500 0.012 0.000 2.091 350 R HA -0.130 4.210 4.340 0.000 0.000 0.238 350 R C 1.661 177.970 176.300 0.015 0.000 1.136 350 R CA 2.006 58.113 56.100 0.013 0.000 0.959 350 R CB -0.610 29.696 30.300 0.011 0.000 0.856 350 R HN 0.291 nan 8.270 nan 0.000 0.437 351 D N 1.140 121.549 120.400 0.015 0.000 2.178 351 D HA -0.067 4.573 4.640 0.000 0.000 0.202 351 D C 2.159 178.469 176.300 0.017 0.000 0.974 351 D CA 1.010 55.020 54.000 0.016 0.000 0.841 351 D CB -0.067 40.743 40.800 0.016 0.000 0.953 351 D HN 0.284 nan 8.370 nan 0.000 0.478 352 L N 0.392 121.625 121.223 0.016 0.000 2.141 352 L HA -0.107 4.233 4.340 0.000 0.000 0.209 352 L C 2.520 179.402 176.870 0.020 0.000 1.094 352 L CA 0.353 55.201 54.840 0.014 0.000 0.763 352 L CB -0.203 41.862 42.059 0.011 0.000 0.908 352 L HN -0.090 nan 8.230 nan 0.000 0.437 353 V N 0.169 120.096 119.914 0.023 0.000 2.295 353 V HA -0.295 3.825 4.120 0.000 0.000 0.246 353 V C 2.397 178.513 176.094 0.036 0.000 1.049 353 V CA 1.694 64.012 62.300 0.029 0.000 1.024 353 V CB -0.380 31.458 31.823 0.025 0.000 0.648 353 V HN 0.338 nan 8.190 nan 0.000 0.447 354 L N -0.831 120.410 121.223 0.030 0.000 2.017 354 L HA -0.195 4.145 4.340 0.000 0.000 0.208 354 L C 2.491 179.387 176.870 0.043 0.000 1.073 354 L CA 1.421 56.280 54.840 0.033 0.000 0.745 354 L CB -0.651 41.423 42.059 0.025 0.000 0.894 354 L HN 0.356 nan 8.230 nan 0.000 0.432 355 L N 0.352 121.598 121.223 0.039 0.000 1.994 355 L HA -0.082 4.258 4.340 0.000 0.000 0.208 355 L C 2.400 179.319 176.870 0.082 0.000 1.071 355 L CA 2.273 57.141 54.840 0.047 0.000 0.745 355 L CB -1.197 40.874 42.059 0.020 0.000 0.892 355 L HN 0.131 nan 8.230 nan 0.000 0.431 356 G N -1.054 107.787 108.800 0.069 0.000 2.476 356 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 356 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 356 G C 1.439 176.440 174.900 0.169 0.000 1.164 356 G CA 0.796 45.963 45.100 0.112 0.000 0.768 356 G HN 0.470 nan 8.290 nan 0.000 0.560 357 E N 0.057 120.323 120.200 0.110 0.000 2.150 357 E HA -0.117 4.233 4.350 0.000 0.000 0.193 357 E C 2.514 179.163 176.600 0.082 0.000 0.985 357 E CA 1.218 57.676 56.400 0.096 0.000 0.814 357 E CB -0.187 29.551 29.700 0.064 0.000 0.752 357 E HN 0.544 nan 8.360 nan 0.000 0.466 358 Q N 0.482 120.330 119.800 0.080 0.000 2.046 358 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 358 Q C 1.970 178.000 176.000 0.050 0.000 0.975 358 Q CA 1.152 56.987 55.803 0.054 0.000 0.836 358 Q CB -0.720 28.049 28.738 0.051 0.000 0.896 358 Q HN 0.236 nan 8.270 nan 0.000 0.428 359 F N 1.066 120.991 119.950 -0.042 0.000 2.087 359 F HA -0.227 4.301 4.527 0.000 0.000 0.299 359 F C 1.903 177.620 175.800 -0.140 0.000 1.100 359 F CA 2.107 60.054 58.000 -0.087 0.000 1.226 359 F CB -0.194 38.762 39.000 -0.074 0.000 0.983 359 F HN 0.068 nan 8.300 nan 0.000 0.479 360 R N 0.147 120.593 120.500 -0.088 0.000 2.189 360 R HA -0.120 4.220 4.340 0.000 0.000 0.223 360 R C 2.008 178.252 176.300 -0.093 0.000 1.092 360 R CA 1.072 57.119 56.100 -0.088 0.000 0.989 360 R CB -0.369 30.054 30.300 0.205 0.000 0.876 360 R HN 0.354 nan 8.270 nan 0.000 0.457 361 E N 1.014 121.155 120.200 -0.099 0.000 2.160 361 E HA -0.216 4.134 4.350 0.000 0.000 0.195 361 E C 1.564 178.077 176.600 -0.144 0.000 0.991 361 E CA 1.135 57.489 56.400 -0.077 0.000 0.810 361 E CB 0.014 29.682 29.700 -0.052 0.000 0.742 361 E HN 0.512 nan 8.360 nan 0.000 0.466 362 E N -0.120 119.890 120.200 -0.317 0.000 2.153 362 E HA -0.188 4.162 4.350 0.000 0.000 0.194 362 E C 1.805 178.230 176.600 -0.291 0.000 0.988 362 E CA 0.727 56.912 56.400 -0.358 0.000 0.811 362 E CB -0.252 29.115 29.700 -0.555 0.000 0.746 362 E HN 0.321 nan 8.360 nan 0.000 0.466 363 Y N 1.331 121.498 120.300 -0.221 0.000 2.241 363 Y HA -0.219 4.331 4.550 0.000 0.000 0.286 363 Y C 2.054 177.901 175.900 -0.089 0.000 1.166 363 Y CA 1.146 59.160 58.100 -0.144 0.000 1.203 363 Y CB -0.274 38.115 38.460 -0.119 0.000 0.977 363 Y HN -0.056 nan 8.280 nan 0.000 0.529 364 K N -0.250 120.193 120.400 0.072 0.000 2.097 364 K HA -0.138 4.182 4.320 0.000 0.000 0.206 364 K C 1.946 178.553 176.600 0.011 0.000 1.049 364 K CA 1.361 57.669 56.287 0.034 0.000 0.933 364 K CB -0.324 32.184 32.500 0.013 0.000 0.717 364 K HN 0.286 nan 8.250 nan 0.000 0.442 365 L N 0.435 121.650 121.223 -0.013 0.000 2.095 365 L HA -0.115 4.226 4.340 0.000 0.000 0.204 365 L C 2.646 179.509 176.870 -0.012 0.000 1.080 365 L CA 1.403 56.230 54.840 -0.022 0.000 0.759 365 L CB -0.862 41.170 42.059 -0.045 0.000 0.914 365 L HN 0.350 nan 8.230 nan 0.000 0.439 366 T N -3.107 111.442 114.554 -0.009 0.000 2.867 366 T HA -0.262 4.088 4.350 0.000 0.000 0.268 366 T C 1.759 176.478 174.700 0.031 0.000 1.057 366 T CA 1.215 63.322 62.100 0.012 0.000 1.136 366 T CB -0.241 68.643 68.868 0.027 0.000 0.874 366 T HN 0.328 nan 8.240 nan 0.000 0.466 367 Q N 1.078 120.903 119.800 0.042 0.000 2.084 367 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 367 Q C 2.405 178.413 176.000 0.013 0.000 0.978 367 Q CA 1.736 57.556 55.803 0.028 0.000 0.844 367 Q CB -0.190 28.564 28.738 0.026 0.000 0.898 367 Q HN 0.794 nan 8.270 nan 0.000 0.426 368 E N 0.098 120.303 120.200 0.009 0.000 2.051 368 E HA -0.193 4.157 4.350 0.000 0.000 0.192 368 E C 2.126 178.728 176.600 0.003 0.000 0.991 368 E CA 1.089 57.491 56.400 0.003 0.000 0.799 368 E CB -0.136 29.564 29.700 -0.000 0.000 0.748 368 E HN 0.438 nan 8.360 nan 0.000 0.449 369 L N 0.972 122.196 121.223 0.003 0.000 2.043 369 L HA -0.183 4.157 4.340 0.000 0.000 0.212 369 L C 1.466 178.339 176.870 0.005 0.000 1.075 369 L CA 1.080 55.922 54.840 0.003 0.000 0.752 369 L CB -0.551 41.509 42.059 0.001 0.000 0.891 369 L HN 0.183 nan 8.230 nan 0.000 0.432 373 T N -0.250 114.306 114.554 0.003 0.000 2.857 373 T HA -0.106 4.244 4.350 0.000 0.000 0.266 373 T C 1.154 175.856 174.700 0.003 0.000 1.048 373 T CA 1.623 63.725 62.100 0.003 0.000 1.139 373 T CB -0.120 68.750 68.868 0.004 0.000 0.874 373 T HN 0.198 nan 8.240 nan 0.000 0.455 374 D N 1.265 121.667 120.400 0.003 0.000 2.116 374 D HA -0.075 4.565 4.640 0.000 0.000 0.193 374 D C 2.378 178.679 176.300 0.002 0.000 0.998 374 D CA 1.050 55.052 54.000 0.002 0.000 0.836 374 D CB -0.206 40.595 40.800 0.002 0.000 0.951 374 D HN 0.321 nan 8.370 nan 0.000 0.449 375 R N 0.065 120.566 120.500 0.002 0.000 2.096 375 R HA -0.022 4.318 4.340 0.000 0.000 0.235 375 R C 2.605 178.906 176.300 0.002 0.000 1.127 375 R CA 0.415 56.516 56.100 0.001 0.000 0.968 375 R CB -0.370 29.931 30.300 0.001 0.000 0.861 375 R HN 0.236 nan 8.270 nan 0.000 0.440 376 L N 0.718 121.942 121.223 0.002 0.000 2.012 376 L HA -0.270 4.071 4.340 0.000 0.000 0.210 376 L C 2.578 179.450 176.870 0.003 0.000 1.073 376 L CA 1.636 56.478 54.840 0.002 0.000 0.748 376 L CB -0.374 41.686 42.059 0.002 0.000 0.891 376 L HN 0.288 nan 8.230 nan 0.000 0.431 377 Q N -0.847 118.954 119.800 0.003 0.000 2.124 377 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 377 Q C 2.175 178.177 176.000 0.003 0.000 0.977 377 Q CA 1.228 57.033 55.803 0.003 0.000 0.850 377 Q CB -0.081 28.659 28.738 0.003 0.000 0.901 377 Q HN 0.286 nan 8.270 nan 0.000 0.429 378 L N 0.054 121.278 121.223 0.002 0.000 2.017 378 L HA -0.190 4.150 4.340 0.000 0.000 0.208 378 L C 2.152 179.024 176.870 0.003 0.000 1.073 378 L CA 2.024 56.866 54.840 0.002 0.000 0.745 378 L CB -0.899 41.161 42.059 0.002 0.000 0.894 378 L HN 0.193 nan 8.230 nan 0.000 0.432 379 T N -0.509 114.047 114.554 0.003 0.000 2.788 379 T HA -0.178 4.172 4.350 0.000 0.000 0.268 379 T C 2.027 176.729 174.700 0.004 0.000 1.044 379 T CA 1.448 63.550 62.100 0.003 0.000 1.139 379 T CB -0.303 68.566 68.868 0.003 0.000 0.867 379 T HN 0.242 nan 8.240 nan 0.000 0.454 380 L N 0.242 121.467 121.223 0.004 0.000 2.046 380 L HA -0.082 4.258 4.340 0.000 0.000 0.208 380 L C 2.916 179.789 176.870 0.005 0.000 1.077 380 L CA 1.352 56.194 54.840 0.004 0.000 0.747 380 L CB -0.391 41.670 42.059 0.004 0.000 0.896 380 L HN 0.169 nan 8.230 nan 0.000 0.432 381 R N -0.161 120.341 120.500 0.004 0.000 2.083 381 R HA -0.176 4.164 4.340 0.000 0.000 0.237 381 R C 2.428 178.731 176.300 0.005 0.000 1.137 381 R CA 1.514 57.617 56.100 0.004 0.000 0.951 381 R CB -0.610 29.692 30.300 0.003 0.000 0.851 381 R HN 0.356 nan 8.270 nan 0.000 0.434 382 A N 1.132 123.955 122.820 0.005 0.000 1.940 382 A HA -0.172 4.148 4.320 0.000 0.000 0.219 382 A C 2.079 179.667 177.584 0.006 0.000 1.176 382 A CA 1.249 53.289 52.037 0.005 0.000 0.631 382 A CB -0.495 18.507 19.000 0.004 0.000 0.814 382 A HN 0.263 nan 8.150 nan 0.000 0.446 383 L N 0.095 121.322 121.223 0.006 0.000 2.046 383 L HA -0.128 4.212 4.340 0.000 0.000 0.208 383 L C 2.191 179.066 176.870 0.010 0.000 1.077 383 L CA 2.691 57.536 54.840 0.007 0.000 0.747 383 L CB -0.823 41.240 42.059 0.007 0.000 0.896 383 L HN 0.597 nan 8.230 nan 0.000 0.432 384 E N -0.607 119.599 120.200 0.009 0.000 2.070 384 E HA -0.278 4.072 4.350 0.000 0.000 0.197 384 E C 1.745 178.352 176.600 0.012 0.000 1.004 384 E CA 1.784 58.191 56.400 0.011 0.000 0.805 384 E CB -0.064 29.641 29.700 0.008 0.000 0.744 384 E HN 0.579 nan 8.360 nan 0.000 0.451 385 D N 0.183 120.589 120.400 0.010 0.000 2.092 385 D HA -0.192 4.448 4.640 0.000 0.000 0.193 385 D C 1.932 178.240 176.300 0.013 0.000 0.994 385 D CA 1.246 55.253 54.000 0.011 0.000 0.828 385 D CB -0.419 40.386 40.800 0.008 0.000 0.963 385 D HN 0.167 nan 8.370 nan 0.000 0.450 386 E N 1.048 121.255 120.200 0.012 0.000 2.097 386 E HA -0.156 4.194 4.350 0.000 0.000 0.196 386 E C 1.864 178.474 176.600 0.016 0.000 1.000 386 E CA 1.180 57.587 56.400 0.012 0.000 0.804 386 E CB 0.020 29.726 29.700 0.009 0.000 0.740 386 E HN 0.182 nan 8.360 nan 0.000 0.454 387 K N -0.042 120.369 120.400 0.019 0.000 2.147 387 K HA -0.110 4.210 4.320 0.000 0.000 0.205 387 K C 2.115 178.738 176.600 0.039 0.000 1.049 387 K CA 1.149 57.452 56.287 0.027 0.000 0.936 387 K CB -0.036 32.480 32.500 0.026 0.000 0.722 387 K HN 0.057 nan 8.250 nan 0.000 0.446 388 K N 1.024 121.444 120.400 0.034 0.000 2.026 388 K HA -0.145 4.175 4.320 0.000 0.000 0.208 388 K C 2.014 178.641 176.600 0.045 0.000 1.048 388 K CA 1.360 57.671 56.287 0.041 0.000 0.929 388 K CB -0.039 32.478 32.500 0.028 0.000 0.713 388 K HN 0.045 nan 8.250 nan 0.000 0.439 389 K N 0.218 120.636 120.400 0.031 0.000 2.103 389 K HA -0.111 4.209 4.320 0.000 0.000 0.207 389 K C 2.158 178.773 176.600 0.026 0.000 1.048 389 K CA 1.761 58.063 56.287 0.026 0.000 0.930 389 K CB -0.125 32.385 32.500 0.016 0.000 0.716 389 K HN 0.122 nan 8.250 nan 0.000 0.444 390 T N 1.136 115.706 114.554 0.025 0.000 2.737 390 T HA -0.128 4.222 4.350 0.000 0.000 0.265 390 T C 1.232 175.946 174.700 0.024 0.000 1.038 390 T CA 1.447 63.556 62.100 0.015 0.000 1.144 390 T CB -0.308 68.567 68.868 0.013 0.000 0.866 390 T HN 0.173 nan 8.240 nan 0.000 0.434 391 D N 0.915 121.361 120.400 0.077 0.000 2.116 391 D HA -0.095 4.545 4.640 0.000 0.000 0.193 391 D C 2.347 178.756 176.300 0.182 0.000 0.998 391 D CA 1.356 55.466 54.000 0.183 0.000 0.836 391 D CB -0.574 40.370 40.800 0.239 0.000 0.951 391 D HN 0.306 nan 8.370 nan 0.000 0.449 392 T N 0.762 115.387 114.554 0.117 0.000 2.708 392 T HA -0.069 4.281 4.350 0.000 0.000 0.266 392 T C 2.084 176.811 174.700 0.044 0.000 1.037 392 T CA 0.488 62.644 62.100 0.094 0.000 1.146 392 T CB -0.324 68.579 68.868 0.060 0.000 0.865 392 T HN 0.144 nan 8.240 nan 0.000 0.435 393 L N 0.473 121.703 121.223 0.011 0.000 2.447 393 L HA -0.057 4.283 4.340 0.000 0.000 0.225 393 L C 2.074 178.907 176.870 -0.061 0.000 1.148 393 L CA 0.401 55.230 54.840 -0.018 0.000 0.808 393 L CB -0.362 41.685 42.059 -0.019 0.000 0.928 393 L HN 0.228 nan 8.230 nan 0.000 0.448 394 L N -1.876 119.278 121.223 -0.115 0.000 2.379 394 L HA 0.017 4.357 4.340 0.000 0.000 0.190 394 L C 2.143 178.864 176.870 -0.248 0.000 1.111 394 L CA 1.287 55.967 54.840 -0.266 0.000 0.820 394 L CB -0.594 41.157 42.059 -0.513 0.000 1.046 394 L HN -0.021 nan 8.230 nan 0.000 0.485 395 Y N -0.059 120.241 120.300 0.000 0.000 2.220 395 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 395 Y C 2.896 178.796 175.900 0.000 0.000 1.129 395 Y CA 1.453 59.553 58.100 0.000 0.000 1.161 395 Y CB -0.691 37.769 38.460 0.000 0.000 0.997 395 Y HN 0.412 nan 8.280 nan 0.000 0.522 396 S N -0.698 115.084 115.700 0.137 0.000 2.447 396 S HA -0.096 4.375 4.470 0.000 0.000 0.233 396 S C 1.718 176.343 174.600 0.041 0.000 1.006 396 S CA 1.139 59.385 58.200 0.077 0.000 0.957 396 S CB -0.803 62.433 63.200 0.060 0.000 0.773 396 S HN 0.191 nan 8.310 nan 0.000 0.507 397 V N 1.204 121.130 119.914 0.020 0.000 3.235 397 V HA 0.300 4.420 4.120 0.000 0.000 0.259 397 V C 1.105 177.200 176.094 0.001 0.000 1.133 397 V CA 0.374 62.675 62.300 0.002 0.000 1.128 397 V CB -0.633 31.180 31.823 -0.016 0.000 0.757 397 V HN 0.433 nan 8.190 nan 0.000 0.469 398 L N 0.821 122.048 121.223 0.007 0.000 2.439 398 L HA 0.307 4.647 4.340 0.000 0.000 0.261 398 L C -2.066 174.818 176.870 0.023 0.000 1.153 398 L CA -1.746 53.101 54.840 0.010 0.000 0.808 398 L CB 0.042 42.111 42.059 0.016 0.000 1.126 398 L HN 0.048 nan 8.230 nan 0.000 0.460 399 P HA 0.041 nan 4.420 nan 0.000 0.264 399 P C -2.095 175.222 177.300 0.028 0.000 1.193 399 P CA -0.859 62.253 63.100 0.019 0.000 0.763 399 P CB 0.141 31.850 31.700 0.014 0.000 0.810 400 P HA -0.263 nan 4.420 nan 0.000 0.217 400 P C 1.524 178.842 177.300 0.030 0.000 1.151 400 P CA 1.906 65.024 63.100 0.030 0.000 0.849 400 P CB -0.169 31.544 31.700 0.020 0.000 0.787 401 S N -1.691 114.023 115.700 0.024 0.000 2.387 401 S HA -0.088 4.382 4.470 0.000 0.000 0.226 401 S C 1.971 176.588 174.600 0.029 0.000 1.026 401 S CA 1.175 59.388 58.200 0.022 0.000 0.972 401 S CB -1.581 61.628 63.200 0.015 0.000 0.814 401 S HN -0.036 nan 8.310 nan 0.000 0.477 402 V N 2.708 122.641 119.914 0.032 0.000 2.343 402 V HA -0.087 4.033 4.120 0.000 0.000 0.247 402 V C 3.189 179.321 176.094 0.064 0.000 1.051 402 V CA 1.664 63.987 62.300 0.038 0.000 1.036 402 V CB -1.540 30.300 31.823 0.027 0.000 0.654 402 V HN 0.666 nan 8.190 nan 0.000 0.451 403 A N 0.346 123.217 122.820 0.085 0.000 1.933 403 A HA -0.265 4.055 4.320 0.000 0.000 0.218 403 A C 2.011 179.675 177.584 0.133 0.000 1.175 403 A CA 2.337 54.472 52.037 0.164 0.000 0.628 403 A CB -0.809 18.298 19.000 0.179 0.000 0.814 403 A HN 0.702 nan 8.150 nan 0.000 0.444 404 N N -1.034 117.705 118.700 0.064 0.000 2.354 404 N HA -0.078 4.662 4.740 0.000 0.000 0.179 404 N C 1.792 177.316 175.510 0.024 0.000 1.021 404 N CA 0.861 53.926 53.050 0.025 0.000 0.887 404 N CB -0.062 38.431 38.487 0.011 0.000 0.974 404 N HN 0.669 nan 8.380 nan 0.000 0.437 405 E N 0.684 120.906 120.200 0.037 0.000 2.152 405 E HA -0.132 4.218 4.350 0.000 0.000 0.192 405 E C 1.712 178.340 176.600 0.047 0.000 0.983 405 E CA 0.505 56.924 56.400 0.033 0.000 0.818 405 E CB 0.117 29.834 29.700 0.029 0.000 0.758 405 E HN 0.187 nan 8.360 nan 0.000 0.467 406 L N 1.177 122.449 121.223 0.082 0.000 2.201 406 L HA -0.061 4.279 4.340 0.000 0.000 0.212 406 L C 1.109 178.046 176.870 0.112 0.000 1.105 406 L CA 1.204 56.119 54.840 0.126 0.000 0.775 406 L CB -0.241 41.951 42.059 0.221 0.000 0.913 406 L HN -0.046 nan 8.230 nan 0.000 0.440 407 R N 0.000 120.528 120.500 0.046 0.000 2.786 407 R HA 0.000 4.340 4.340 0.000 0.000 0.208 407 R CA 0.000 56.079 56.100 -0.036 0.000 0.921 407 R CB 0.000 30.234 30.300 -0.110 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535