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 2c52_20_B DATA FIRST_RESID 303 DATA SEQUENCE PTTVEGRNDE KALLEQLVSF LSGKDETELA ELDRALGIDK LVQGGGLDVL DATA SEQUENCE SKLVPRGSL 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 303 P HA 0.000 4.309 4.420 -0.184 0.000 0.216 303 P C 0.000 177.226 177.300 -0.123 0.000 1.155 303 P CA 0.000 63.028 63.100 -0.120 0.000 0.800 303 P CB 0.000 31.640 31.700 -0.099 0.000 0.726 304 T N -2.939 111.579 114.554 -0.060 0.000 2.942 304 T HA 0.279 4.606 4.350 -0.039 0.000 0.327 304 T C -1.166 173.527 174.700 -0.013 0.000 1.360 304 T CA -0.469 61.607 62.100 -0.041 0.000 1.055 304 T CB 1.506 70.345 68.868 -0.049 0.000 1.261 304 T HN -0.776 7.441 8.240 -0.040 0.000 0.485 305 T N 4.736 119.291 114.554 0.000 0.000 2.987 305 T HA 0.125 4.477 4.350 0.004 0.000 0.248 305 T C -0.262 174.441 174.700 0.005 0.000 0.997 305 T CA 0.405 62.509 62.100 0.007 0.000 1.013 305 T CB 0.787 69.666 68.868 0.019 0.000 1.077 305 T HN 0.342 8.584 8.240 0.004 0.000 0.483 306 V N -0.392 119.525 119.914 0.005 0.000 2.443 306 V HA 0.376 4.497 4.120 0.002 0.000 0.272 306 V C -2.500 173.594 176.094 0.000 0.000 1.002 306 V CA -2.494 59.809 62.300 0.004 0.000 0.840 306 V CB 0.907 32.735 31.823 0.008 0.000 1.042 306 V HN -0.601 7.593 8.190 0.006 0.000 0.446 307 E N 6.324 126.521 120.200 -0.005 0.000 3.371 307 E HA 0.131 4.477 4.350 -0.007 0.000 0.263 307 E C 1.244 177.841 176.600 -0.006 0.000 0.652 307 E CA -1.269 55.126 56.400 -0.008 0.000 1.779 307 E CB 0.808 30.499 29.700 -0.016 0.000 1.956 307 E HN -0.655 7.702 8.360 -0.005 0.000 0.401 308 G N -0.699 108.096 108.800 -0.008 0.000 2.681 308 G HA2 -0.357 3.599 3.960 -0.007 0.000 0.224 308 G HA3 -0.357 3.600 3.960 -0.006 0.000 0.224 308 G C 0.799 175.696 174.900 -0.004 0.000 1.100 308 G CA 2.151 47.248 45.100 -0.006 0.000 0.743 308 G HN 0.405 8.688 8.290 -0.011 0.000 0.612 309 R N -1.302 119.195 120.500 -0.004 0.000 2.140 309 R HA -0.209 4.129 4.340 -0.003 0.000 0.250 309 R C 0.018 176.317 176.300 -0.001 0.000 1.150 309 R CA 1.911 58.010 56.100 -0.002 0.000 0.966 309 R CB -0.052 30.247 30.300 -0.002 0.000 0.869 309 R HN -0.227 8.015 8.270 -0.005 0.025 0.445 310 N N -2.967 115.733 118.700 -0.000 0.000 2.879 310 N HA 0.200 4.940 4.740 0.001 0.000 0.329 310 N C -2.064 173.446 175.510 0.000 0.000 1.337 310 N CA -1.026 52.024 53.050 0.001 0.000 0.844 310 N CB 2.772 41.260 38.487 0.002 0.000 1.236 310 N HN 0.364 8.636 8.380 -0.001 0.107 0.601 311 D N -0.468 119.933 120.400 0.001 0.000 2.398 311 D HA 0.002 4.642 4.640 0.000 0.000 0.247 311 D C 1.102 177.403 176.300 0.002 0.000 1.227 311 D CA 0.303 54.304 54.000 0.001 0.000 0.980 311 D CB 1.301 42.102 40.800 0.002 0.000 1.106 311 D HN 0.041 8.412 8.370 0.002 0.000 0.493 312 E N 1.531 121.732 120.200 0.002 0.000 2.147 312 E HA -0.464 3.887 4.350 0.001 0.000 0.199 312 E C 1.069 177.672 176.600 0.005 0.000 1.005 312 E CA 3.880 60.282 56.400 0.002 0.000 0.810 312 E CB -0.106 29.595 29.700 0.002 0.000 0.736 312 E HN 0.342 8.703 8.360 0.001 0.000 0.460 313 K N -2.754 117.649 120.400 0.005 0.000 2.160 313 K HA -0.220 4.105 4.320 0.008 0.000 0.206 313 K C 1.801 178.407 176.600 0.009 0.000 1.047 313 K CA 2.591 58.883 56.287 0.007 0.000 0.930 313 K CB -0.829 31.675 32.500 0.007 0.000 0.720 313 K HN 0.064 8.308 8.250 0.004 0.009 0.450 314 A N -1.456 121.368 122.820 0.007 0.000 1.970 314 A HA -0.114 4.212 4.320 0.010 0.000 0.216 314 A C 2.120 179.709 177.584 0.008 0.000 1.170 314 A CA 2.567 54.609 52.037 0.008 0.000 0.645 314 A CB -0.746 18.257 19.000 0.005 0.000 0.816 314 A HN 0.649 8.637 8.150 0.005 0.164 0.447 315 L N -0.719 120.507 121.223 0.005 0.000 1.955 315 L HA -0.324 4.014 4.340 -0.003 0.000 0.213 315 L C 2.351 179.227 176.870 0.009 0.000 1.072 315 L CA 2.897 57.738 54.840 0.002 0.000 0.755 315 L CB -0.914 41.144 42.059 -0.001 0.000 0.888 315 L HN -0.288 7.811 8.230 0.004 0.133 0.432 316 L N -5.196 116.035 121.223 0.014 0.000 1.994 316 L HA -0.403 3.953 4.340 0.027 0.000 0.208 316 L C 2.033 178.923 176.870 0.034 0.000 1.071 316 L CA 3.972 58.826 54.840 0.024 0.000 0.745 316 L CB -1.560 40.512 42.059 0.021 0.000 0.892 316 L HN -0.287 7.950 8.230 0.011 0.000 0.431 317 E N -1.770 118.447 120.200 0.027 0.000 2.169 317 E HA -0.518 3.850 4.350 0.031 0.000 0.202 317 E C 2.698 179.324 176.600 0.044 0.000 1.016 317 E CA 3.380 59.798 56.400 0.030 0.000 0.817 317 E CB -0.992 28.721 29.700 0.021 0.000 0.736 317 E HN -0.052 8.217 8.360 0.020 0.103 0.462 318 Q N -0.984 118.839 119.800 0.039 0.000 2.049 318 Q HA -0.184 4.187 4.340 0.053 0.000 0.198 318 Q C 2.487 178.540 176.000 0.089 0.000 0.971 318 Q CA 2.706 58.537 55.803 0.047 0.000 0.833 318 Q CB -0.119 28.628 28.738 0.015 0.000 0.896 318 Q HN -0.237 7.939 8.270 0.027 0.110 0.434 319 L N 0.050 121.319 121.223 0.077 0.000 2.005 319 L HA -0.190 4.234 4.340 0.141 0.000 0.207 319 L C 1.936 178.943 176.870 0.228 0.000 1.072 319 L CA 3.450 58.375 54.840 0.142 0.000 0.744 319 L CB -0.607 41.497 42.059 0.076 0.000 0.895 319 L HN -0.462 7.717 8.230 0.047 0.080 0.433 320 V N -2.108 117.880 119.914 0.124 0.000 2.332 320 V HA -0.468 3.704 4.120 0.087 0.000 0.248 320 V C 1.886 178.028 176.094 0.080 0.000 1.055 320 V CA 3.685 66.037 62.300 0.088 0.000 1.038 320 V CB -1.631 30.222 31.823 0.050 0.000 0.651 320 V HN 0.816 8.926 8.190 0.087 0.131 0.450 321 S N 1.798 117.554 115.700 0.093 0.000 2.359 321 S HA -0.329 4.167 4.470 0.042 0.000 0.224 321 S C 1.805 176.462 174.600 0.095 0.000 1.035 321 S CA 4.692 62.938 58.200 0.077 0.000 1.018 321 S CB -0.189 63.057 63.200 0.076 0.000 0.876 321 S HN -0.169 8.009 8.310 0.094 0.188 0.448 322 F N 2.671 122.621 119.950 -0.000 0.000 2.234 322 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 322 F C 0.722 176.522 175.800 -0.000 0.000 1.087 322 F CA 2.425 60.425 58.000 -0.000 0.000 1.340 322 F CB 0.130 39.130 39.000 -0.000 0.000 1.031 322 F HN -0.325 8.104 8.300 0.328 0.068 0.500 323 L N -0.969 120.140 121.223 -0.189 0.000 2.027 323 L HA -0.560 3.359 4.340 -0.702 0.000 0.206 323 L C 2.415 179.133 176.870 -0.252 0.000 1.074 323 L CA 2.861 57.509 54.840 -0.319 0.000 0.745 323 L CB -0.289 41.762 42.059 -0.013 0.000 0.898 323 L HN 0.435 8.552 8.230 0.170 0.215 0.433 324 S N -0.733 114.892 115.700 -0.125 0.000 2.359 324 S HA -0.305 4.118 4.470 -0.078 0.000 0.223 324 S C 2.016 176.543 174.600 -0.121 0.000 1.039 324 S CA 3.298 61.443 58.200 -0.091 0.000 1.042 324 S CB 0.084 63.258 63.200 -0.043 0.000 0.915 324 S HN 0.334 8.495 8.310 -0.063 0.111 0.439 325 G N 0.087 108.806 108.800 -0.136 0.000 3.717 325 G HA2 0.027 3.937 3.960 -0.084 0.000 0.258 325 G HA3 0.027 3.929 3.960 -0.097 0.000 0.258 325 G C -2.163 172.608 174.900 -0.215 0.000 1.088 325 G CA -1.130 43.894 45.100 -0.127 0.000 1.737 325 G HN -0.598 7.620 8.290 -0.121 0.000 0.648 326 K N 1.166 121.402 120.400 -0.272 0.000 2.477 326 K HA -0.297 3.756 4.320 -0.607 -0.097 0.275 326 K C 1.024 177.504 176.600 -0.199 0.000 1.054 326 K CA 0.713 56.798 56.287 -0.338 0.000 1.135 326 K CB -0.116 32.241 32.500 -0.238 0.000 0.854 326 K HN -0.822 7.225 8.250 -0.226 0.067 0.484 327 D N 5.948 126.239 120.400 -0.182 0.000 2.162 327 D HA -0.158 4.455 4.640 -0.044 0.000 0.203 327 D C 1.867 178.150 176.300 -0.029 0.000 0.967 327 D CA 3.667 57.638 54.000 -0.049 0.000 0.840 327 D CB -0.114 40.712 40.800 0.043 0.000 0.972 327 D HN 0.478 8.678 8.370 -0.284 0.000 0.482 328 E N -0.012 120.169 120.200 -0.032 0.000 2.273 328 E HA -0.305 4.049 4.350 0.007 0.000 0.198 328 E C 1.405 177.991 176.600 -0.023 0.000 1.002 328 E CA 3.173 59.565 56.400 -0.013 0.000 0.828 328 E CB -0.525 29.171 29.700 -0.007 0.000 0.747 328 E HN 0.280 8.608 8.360 -0.054 0.000 0.491 329 T N 0.468 114.996 114.554 -0.042 0.000 2.778 329 T HA -0.403 3.927 4.350 -0.033 0.000 0.269 329 T C 1.286 175.972 174.700 -0.022 0.000 1.050 329 T CA 4.031 66.109 62.100 -0.037 0.000 1.137 329 T CB -0.712 68.126 68.868 -0.050 0.000 0.860 329 T HN -0.679 7.361 8.240 -0.065 0.161 0.468 330 E N -0.085 120.104 120.200 -0.017 0.000 2.012 330 E HA -0.333 4.012 4.350 -0.010 0.000 0.197 330 E C 2.349 178.946 176.600 -0.005 0.000 1.007 330 E CA 2.746 59.141 56.400 -0.008 0.000 0.816 330 E CB -0.627 29.072 29.700 -0.003 0.000 0.762 330 E HN 0.086 8.304 8.360 -0.019 0.131 0.451 331 L N -0.758 120.464 121.223 -0.002 0.000 1.989 331 L HA -0.208 4.132 4.340 0.001 0.000 0.211 331 L C 1.934 178.803 176.870 -0.003 0.000 1.071 331 L CA 2.472 57.312 54.840 0.000 0.000 0.749 331 L CB 0.365 42.427 42.059 0.005 0.000 0.890 331 L HN -0.259 7.971 8.230 -0.000 0.000 0.431 332 A N -2.262 120.554 122.820 -0.006 0.000 2.958 332 A HA -0.053 4.264 4.320 -0.005 0.000 0.247 332 A C -0.831 176.747 177.584 -0.010 0.000 1.679 332 A CA -0.788 51.244 52.037 -0.007 0.000 1.345 332 A CB -2.160 16.834 19.000 -0.010 0.000 1.013 332 A HN 0.170 8.316 8.150 -0.007 0.000 0.641 333 E N -0.172 120.024 120.200 -0.008 0.000 2.284 333 E HA -0.401 4.058 4.350 -0.010 -0.115 0.200 333 E C 0.148 176.743 176.600 -0.009 0.000 1.008 333 E CA 2.382 58.777 56.400 -0.008 0.000 0.829 333 E CB -0.612 29.084 29.700 -0.006 0.000 0.744 333 E HN 0.049 8.318 8.360 -0.006 0.088 0.491 334 L N -2.152 119.066 121.223 -0.008 0.000 2.084 334 L HA -0.147 4.188 4.340 -0.007 0.000 0.202 334 L C 1.483 178.347 176.870 -0.010 0.000 1.074 334 L CA 2.483 57.319 54.840 -0.008 0.000 0.757 334 L CB 0.091 42.146 42.059 -0.006 0.000 0.918 334 L HN -0.131 8.051 8.230 -0.007 0.044 0.444 335 D N -1.446 118.947 120.400 -0.011 0.000 2.309 335 D HA -0.278 4.355 4.640 -0.012 0.000 0.212 335 D C 1.715 178.004 176.300 -0.018 0.000 0.968 335 D CA 3.504 57.495 54.000 -0.014 0.000 0.882 335 D CB -0.650 40.142 40.800 -0.015 0.000 0.918 335 D HN -0.075 8.226 8.370 -0.010 0.063 0.503 336 R N 0.409 120.899 120.500 -0.018 0.000 2.204 336 R HA -0.464 3.860 4.340 -0.027 0.000 0.253 336 R C 1.124 177.412 176.300 -0.021 0.000 1.172 336 R CA 2.489 58.577 56.100 -0.021 0.000 0.994 336 R CB -0.127 30.162 30.300 -0.018 0.000 0.874 336 R HN 0.055 8.230 8.270 -0.015 0.086 0.462 337 A N -0.863 121.947 122.820 -0.017 0.000 1.870 337 A HA -0.242 4.069 4.320 -0.014 0.000 0.219 337 A C 1.721 179.294 177.584 -0.018 0.000 1.224 337 A CA 2.448 54.476 52.037 -0.015 0.000 0.650 337 A CB -0.493 18.500 19.000 -0.012 0.000 0.836 337 A HN -0.528 7.578 8.150 -0.015 0.035 0.454 338 L N -6.041 115.170 121.223 -0.020 0.000 2.513 338 L HA 0.016 4.343 4.340 -0.022 0.000 0.222 338 L C 1.252 178.103 176.870 -0.033 0.000 1.096 338 L CA -0.348 54.478 54.840 -0.023 0.000 0.857 338 L CB 0.878 42.925 42.059 -0.020 0.000 1.026 338 L HN -0.551 7.668 8.230 -0.019 0.000 0.469 339 G N -1.847 106.932 108.800 -0.035 0.000 2.212 339 G HA2 -0.286 3.641 3.960 -0.055 0.000 0.266 339 G HA3 -0.286 3.646 3.960 -0.045 0.000 0.266 339 G C -0.677 174.187 174.900 -0.059 0.000 0.978 339 G CA 1.612 46.683 45.100 -0.049 0.000 0.632 339 G HN 0.342 8.403 8.290 -0.029 0.211 0.537 340 I N -8.527 112.015 120.570 -0.046 0.000 3.768 340 I HA 0.181 4.321 4.170 -0.048 0.000 0.328 340 I C -0.964 175.137 176.117 -0.027 0.000 1.413 340 I CA -1.430 59.843 61.300 -0.045 0.000 1.003 340 I CB 0.144 38.111 38.000 -0.055 0.000 1.727 340 I HN -0.714 7.378 8.210 -0.037 0.096 0.657 341 D N 2.612 122.998 120.400 -0.023 0.000 2.351 341 D HA -0.342 4.290 4.640 -0.014 0.000 0.216 341 D C -0.330 175.964 176.300 -0.011 0.000 0.968 341 D CA 3.243 57.234 54.000 -0.015 0.000 0.899 341 D CB 0.044 40.836 40.800 -0.014 0.000 0.907 341 D HN -0.083 8.272 8.370 -0.025 0.000 0.514 342 K N -6.573 113.820 120.400 -0.012 0.000 2.459 342 K HA -0.116 4.332 4.320 -0.005 -0.130 0.193 342 K C -0.044 176.554 176.600 -0.004 0.000 1.030 342 K CA 0.729 57.012 56.287 -0.007 0.000 1.026 342 K CB -0.750 31.747 32.500 -0.006 0.000 0.809 342 K HN -0.267 7.910 8.250 -0.018 0.062 0.504 343 L N -2.438 118.781 121.223 -0.007 0.000 2.286 343 L HA 0.176 4.518 4.340 0.003 0.000 0.203 343 L C 1.667 178.536 176.870 -0.001 0.000 1.068 343 L CA 0.274 55.113 54.840 -0.002 0.000 0.811 343 L CB 0.242 42.298 42.059 -0.005 0.000 0.989 343 L HN 0.076 8.098 8.230 -0.012 0.200 0.467 344 V N -0.017 119.894 119.914 -0.005 0.000 3.444 344 V HA -0.293 3.826 4.120 -0.002 0.000 0.271 344 V C 0.317 176.410 176.094 -0.002 0.000 1.188 344 V CA 0.820 63.118 62.300 -0.004 0.000 1.168 344 V CB -0.199 31.620 31.823 -0.006 0.000 0.810 344 V HN -0.679 7.507 8.190 -0.008 0.000 0.500 345 Q N -1.093 118.706 119.800 -0.002 0.000 2.118 345 Q HA -0.274 4.082 4.340 -0.002 -0.017 0.211 345 Q C 0.269 176.270 176.000 0.000 0.000 0.998 345 Q CA 1.828 57.631 55.803 -0.001 0.000 0.872 345 Q CB 0.136 28.874 28.738 0.000 0.000 0.925 345 Q HN -0.008 8.265 8.270 -0.002 -0.005 0.414 346 G N -1.470 107.331 108.800 0.002 0.000 2.381 346 G HA2 -0.053 3.908 3.960 0.002 0.000 0.672 346 G HA3 -0.053 3.909 3.960 0.002 0.000 0.672 346 G C -1.816 173.086 174.900 0.003 0.000 1.324 346 G CA -0.464 44.637 45.100 0.002 0.000 0.975 346 G HN -0.790 7.505 8.290 0.002 -0.004 0.593 347 G N -1.623 107.179 108.800 0.004 0.000 5.070 347 G HA2 0.060 4.024 3.960 0.005 0.000 0.249 347 G HA3 0.060 4.023 3.960 0.004 0.000 0.249 347 G C -0.479 174.424 174.900 0.004 0.000 0.931 347 G CA 0.438 45.541 45.100 0.004 0.000 0.753 347 G HN 0.152 8.444 8.290 0.003 0.000 0.320 348 G N -0.118 108.684 108.800 0.003 0.000 2.730 348 G HA2 0.082 4.043 3.960 0.003 0.000 0.644 348 G HA3 0.082 4.043 3.960 0.002 0.000 0.644 348 G C -0.180 174.721 174.900 0.002 0.000 1.168 348 G CA -0.560 44.541 45.100 0.002 0.000 1.240 348 G HN 0.369 8.661 8.290 0.003 0.000 0.551 349 L N -0.607 120.617 121.223 0.002 0.000 3.181 349 L HA -0.396 3.945 4.340 0.001 0.000 0.603 349 L C -1.295 175.576 176.870 0.002 0.000 1.006 349 L CA 1.352 56.193 54.840 0.002 0.000 1.280 349 L CB -0.114 41.946 42.059 0.001 0.000 1.439 349 L HN 0.213 8.444 8.230 0.002 0.000 0.722 350 D N 2.546 122.947 120.400 0.001 0.000 3.547 350 D HA -0.000 4.640 4.640 0.002 0.000 0.364 350 D C -0.954 175.346 176.300 0.001 0.000 1.541 350 D CA -0.636 53.365 54.000 0.002 0.000 0.860 350 D CB 0.974 41.776 40.800 0.002 0.000 1.458 350 D HN -0.275 8.095 8.370 0.001 0.000 0.531 351 V N -3.973 115.941 119.914 0.001 0.000 3.715 351 V HA -0.256 3.864 4.120 -0.000 0.000 0.483 351 V C -0.899 175.195 176.094 -0.000 0.000 1.513 351 V CA 1.381 63.681 62.300 0.000 0.000 2.204 351 V CB -0.469 31.354 31.823 -0.000 0.000 2.201 351 V HN 0.048 8.239 8.190 0.002 0.000 0.510 352 L N -4.598 116.625 121.223 -0.001 0.000 3.016 352 L HA 0.298 4.637 4.340 -0.001 0.000 0.267 352 L C -0.490 176.379 176.870 -0.002 0.000 1.182 352 L CA -1.080 53.759 54.840 -0.001 0.000 0.997 352 L CB -0.834 41.224 42.059 -0.002 0.000 1.354 352 L HN 0.132 8.361 8.230 -0.002 0.000 0.569 353 S N -0.898 114.801 115.700 -0.002 0.000 3.405 353 S HA -0.470 3.999 4.470 -0.002 0.000 0.373 353 S C -0.969 173.630 174.600 -0.002 0.000 0.939 353 S CA 0.637 58.836 58.200 -0.002 0.000 1.295 353 S CB -0.956 62.243 63.200 -0.001 0.000 0.919 353 S HN -0.093 8.166 8.310 -0.002 0.050 0.535 354 K N 0.945 121.343 120.400 -0.003 0.000 2.264 354 K HA 0.009 4.327 4.320 -0.003 0.000 0.277 354 K C 0.165 176.762 176.600 -0.004 0.000 1.067 354 K CA -0.302 55.983 56.287 -0.004 0.000 0.900 354 K CB 0.413 32.910 32.500 -0.004 0.000 1.124 354 K HN -0.008 8.240 8.250 -0.004 0.000 0.469 355 L N 3.012 124.233 121.223 -0.004 0.000 3.865 355 L HA -0.243 4.095 4.340 -0.004 0.000 0.408 355 L C -0.705 176.163 176.870 -0.004 0.000 1.209 355 L CA 0.436 55.274 54.840 -0.004 0.000 0.940 355 L CB -0.522 41.534 42.059 -0.005 0.000 1.971 355 L HN 0.567 8.795 8.230 -0.003 0.000 0.899 356 V N -8.503 111.409 119.914 -0.003 0.000 5.791 356 V HA -0.234 3.885 4.120 -0.002 0.000 0.241 356 V C -1.880 174.212 176.094 -0.003 0.000 0.700 356 V CA -0.240 62.059 62.300 -0.003 0.000 0.848 356 V CB -1.300 30.522 31.823 -0.002 0.000 0.947 356 V HN -0.226 7.951 8.190 -0.003 0.012 0.423 357 P HA 0.048 4.856 4.420 -0.005 -0.391 0.249 357 P C -0.487 176.811 177.300 -0.003 0.000 1.241 357 P CA 1.021 64.118 63.100 -0.004 0.000 0.781 357 P CB 0.367 32.064 31.700 -0.005 0.000 1.088 358 R N -3.861 116.638 120.500 -0.002 0.000 2.562 358 R HA 0.037 4.376 4.340 -0.001 0.000 0.191 358 R C -0.524 175.775 176.300 -0.001 0.000 0.835 358 R CA 1.196 57.295 56.100 -0.001 0.000 1.036 358 R CB 1.167 31.467 30.300 -0.000 0.000 1.437 358 R HN -0.062 8.104 8.270 -0.002 0.103 0.654 359 G N -2.406 106.394 108.800 -0.001 0.000 3.876 359 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.203 359 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.203 359 G C -1.405 173.494 174.900 -0.001 0.000 1.162 359 G CA 0.096 45.195 45.100 -0.001 0.000 0.903 359 G HN -0.112 8.177 8.290 -0.001 0.000 0.390 360 S N -0.800 114.900 115.700 -0.000 0.000 2.385 360 S HA 0.228 4.698 4.470 -0.001 0.000 0.191 360 S C -1.075 173.525 174.600 -0.000 0.000 1.196 360 S CA -0.425 57.774 58.200 -0.000 0.000 1.178 360 S CB 0.610 63.810 63.200 -0.000 0.000 1.258 360 S HN -0.415 7.895 8.310 -0.000 0.000 0.430 361 L N 0.000 121.223 121.223 -0.000 0.000 0.000 361 L HA 0.000 4.340 4.340 0.000 0.000 0.000 361 L CA 0.000 54.840 54.840 -0.000 0.000 0.000 361 L CB 0.000 42.059 42.059 -0.000 0.000 0.000 361 L HN 0.000 8.230 8.230 -0.001 0.000 0.000