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 1z60_1_A DATA FIRST_RESID 328 DATA SEQUENCE LDAFQEIPLE EYNGERFCYG CQGELKDQHV YVCAVCQNVF CVDCDVFVHD DATA SEQUENCE SLHSCPGCI 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 328 L HA 0.000 4.370 4.340 0.049 0.000 0.249 328 L C 0.000 176.867 176.870 -0.005 0.000 1.165 328 L CA 0.000 54.857 54.840 0.028 0.000 0.813 328 L CB 0.000 42.085 42.059 0.043 0.000 0.961 329 D N 2.961 123.352 120.400 -0.015 0.000 2.958 329 D HA 0.068 4.684 4.640 -0.040 0.000 0.306 329 D C -0.778 175.477 176.300 -0.075 0.000 1.226 329 D CA -1.155 52.826 54.000 -0.032 0.000 1.032 329 D CB 1.026 41.822 40.800 -0.006 0.000 1.400 329 D HN -0.394 7.974 8.370 -0.004 0.000 0.587 330 A N -1.099 121.689 122.820 -0.054 0.000 2.475 330 A HA -0.005 4.185 4.320 -0.216 0.000 0.239 330 A C -0.133 177.431 177.584 -0.033 0.000 1.087 330 A CA 0.307 52.304 52.037 -0.066 0.000 0.779 330 A CB 0.326 19.361 19.000 0.059 0.000 1.036 330 A HN -0.179 7.961 8.150 -0.017 0.000 0.506 331 F N -0.537 119.448 119.950 0.058 0.000 2.602 331 F HA -0.092 4.660 4.527 0.098 -0.165 0.385 331 F C 0.158 175.983 175.800 0.042 0.000 1.063 331 F CA 0.926 58.968 58.000 0.069 0.000 1.233 331 F CB 0.096 39.135 39.000 0.064 0.000 1.067 331 F HN -0.046 8.401 8.300 0.245 0.000 0.564 332 Q N 4.346 124.252 119.800 0.177 0.000 2.389 332 Q HA 0.237 4.612 4.340 0.059 0.000 0.277 332 Q C -1.999 173.976 176.000 -0.041 0.000 1.082 332 Q CA -1.511 54.327 55.803 0.058 0.000 0.810 332 Q CB 3.854 32.602 28.738 0.017 0.000 1.374 332 Q HN 0.108 8.479 8.270 0.169 0.000 0.422 333 E N 4.022 124.101 120.200 -0.202 0.000 2.055 333 E HA 0.921 5.225 4.350 -0.649 -0.344 0.274 333 E C -0.574 175.806 176.600 -0.368 0.000 0.949 333 E CA -1.935 54.137 56.400 -0.548 0.000 0.775 333 E CB 0.817 29.995 29.700 -0.869 0.000 1.097 333 E HN 0.181 8.449 8.360 -0.153 0.000 0.404 334 I N 4.083 124.517 120.570 -0.226 0.000 2.385 334 I HA 0.415 4.582 4.170 -0.004 0.000 0.294 334 I C -2.241 173.944 176.117 0.114 0.000 0.988 334 I CA -3.015 58.262 61.300 -0.040 0.000 1.265 334 I CB 0.710 38.676 38.000 -0.055 0.000 1.388 334 I HN 0.933 8.814 8.210 -0.353 0.117 0.480 335 P HA 0.050 4.422 4.420 -0.081 0.000 0.269 335 P C 0.597 177.891 177.300 -0.009 0.000 1.209 335 P CA -0.183 62.942 63.100 0.041 0.000 0.776 335 P CB 0.515 32.234 31.700 0.032 0.000 0.876 336 L N 1.949 123.123 121.223 -0.081 0.000 2.127 336 L HA -0.431 3.888 4.340 -0.035 0.000 0.211 336 L C 1.882 178.762 176.870 0.016 0.000 1.089 336 L CA 3.447 58.263 54.840 -0.040 0.000 0.757 336 L CB -0.500 41.511 42.059 -0.079 0.000 0.899 336 L HN 0.555 8.683 8.230 -0.171 0.000 0.434 337 E N -2.227 117.971 120.200 -0.004 0.000 2.038 337 E HA -0.376 3.973 4.350 -0.002 0.000 0.195 337 E C 1.191 177.811 176.600 0.033 0.000 1.000 337 E CA 2.660 59.064 56.400 0.007 0.000 0.803 337 E CB -0.332 29.366 29.700 -0.003 0.000 0.750 337 E HN 0.329 8.639 8.360 -0.034 0.030 0.448 338 E N -1.889 118.344 120.200 0.055 0.000 2.106 338 E HA -0.243 4.130 4.350 0.039 0.000 0.192 338 E C 1.164 177.822 176.600 0.096 0.000 0.984 338 E CA 1.709 58.149 56.400 0.067 0.000 0.806 338 E CB 0.054 29.798 29.700 0.074 0.000 0.750 338 E HN -0.346 8.045 8.360 0.052 0.000 0.458 339 Y N -0.725 119.562 120.300 -0.022 0.000 2.145 339 Y HA -0.352 4.188 4.550 -0.018 0.000 0.286 339 Y C -0.065 175.820 175.900 -0.024 0.000 1.145 339 Y CA 2.601 60.688 58.100 -0.023 0.000 1.148 339 Y CB 0.632 39.076 38.460 -0.027 0.000 0.981 339 Y HN -0.725 7.641 8.280 0.208 0.040 0.507 340 N N -2.678 115.991 118.700 -0.052 0.000 2.727 340 N HA -0.332 4.369 4.740 -0.064 0.000 0.249 340 N C -0.740 174.606 175.510 -0.273 0.000 1.048 340 N CA 1.058 54.031 53.050 -0.129 0.000 0.714 340 N CB -1.398 37.025 38.487 -0.108 0.000 0.959 340 N HN 0.118 8.539 8.380 0.069 0.000 0.544 341 G N -2.612 105.973 108.800 -0.357 0.000 2.846 341 G HA2 0.062 3.828 3.960 -0.322 0.000 0.299 341 G HA3 0.062 3.330 3.960 -1.153 0.000 0.299 341 G C -2.113 172.737 174.900 -0.085 0.000 1.242 341 G CA -0.498 44.298 45.100 -0.508 0.000 0.800 341 G HN -0.345 7.870 8.290 -0.125 0.000 0.538 342 E N 1.947 122.184 120.200 0.062 0.000 2.463 342 E HA -0.158 4.276 4.350 0.140 0.000 0.248 342 E C 0.434 177.210 176.600 0.294 0.000 1.106 342 E CA 0.202 56.736 56.400 0.224 0.000 0.946 342 E CB -0.497 29.317 29.700 0.189 0.000 0.971 342 E HN 0.275 8.576 8.360 -0.100 0.000 0.478 343 R N 1.011 121.549 120.500 0.063 0.000 2.152 343 R HA -0.219 4.033 4.340 -0.146 0.000 0.232 343 R C 0.083 176.138 176.300 -0.407 0.000 1.117 343 R CA 2.520 58.452 56.100 -0.279 0.000 0.981 343 R CB 0.571 30.413 30.300 -0.763 0.000 0.870 343 R HN -0.024 8.279 8.270 0.056 0.000 0.451 344 F N -5.092 114.886 119.950 0.047 0.000 2.579 344 F HA 0.183 4.849 4.527 0.023 -0.125 0.324 344 F C -0.354 175.432 175.800 -0.023 0.000 1.058 344 F CA -1.433 56.578 58.000 0.017 0.000 0.944 344 F CB 3.133 42.141 39.000 0.013 0.000 1.245 344 F HN -0.934 7.489 8.300 0.273 0.041 0.477 345 C N 0.061 119.452 119.300 0.151 0.000 2.534 345 C HA 0.243 4.774 4.460 -0.100 -0.130 0.385 345 C C 1.123 176.057 174.990 -0.095 0.000 1.264 345 C CA -2.673 56.316 59.018 -0.049 0.000 2.342 345 C CB 0.925 28.641 27.740 -0.040 0.000 2.564 345 C HN 0.777 9.033 8.230 0.212 0.101 0.603 346 Y N 2.239 122.351 120.300 -0.313 0.000 2.242 346 Y HA -0.275 4.193 4.550 -0.138 0.000 0.291 346 Y C 1.497 177.294 175.900 -0.172 0.000 1.137 346 Y CA 2.744 60.711 58.100 -0.221 0.000 1.181 346 Y CB -0.690 37.620 38.460 -0.250 0.000 0.989 346 Y HN -0.121 7.918 8.280 -0.401 0.000 0.527 347 G N -0.153 108.102 108.800 -0.908 0.000 2.459 347 G HA2 -0.397 2.976 3.960 -0.979 0.000 0.217 347 G HA3 -0.397 2.908 3.960 -1.092 0.000 0.217 347 G C 0.540 175.341 174.900 -0.164 0.000 1.183 347 G CA 1.620 46.230 45.100 -0.818 0.000 0.776 347 G HN 0.198 7.836 8.290 -1.087 0.000 0.552 348 C N -0.824 118.442 119.300 -0.056 0.000 2.435 348 C HA -0.078 4.447 4.460 0.109 0.000 0.279 348 C C 0.173 175.175 174.990 0.020 0.000 1.321 348 C CA 0.313 59.363 59.018 0.054 0.000 1.752 348 C CB -0.178 27.612 27.740 0.082 0.000 1.959 348 C HN -0.020 8.140 8.230 -0.116 0.000 0.500 349 Q N -3.892 115.898 119.800 -0.016 0.000 2.463 349 Q HA -0.431 3.981 4.340 -0.064 -0.110 0.299 349 Q C -0.682 175.262 176.000 -0.093 0.000 1.353 349 Q CA 0.432 56.196 55.803 -0.065 0.000 0.828 349 Q CB -2.686 26.010 28.738 -0.070 0.000 1.157 349 Q HN -0.214 7.859 8.270 -0.044 0.170 0.436 350 G N -3.556 105.282 108.800 0.064 0.000 2.788 350 G HA2 0.272 4.358 3.960 0.209 0.000 0.293 350 G HA3 0.272 4.326 3.960 0.157 0.000 0.293 350 G C -2.836 172.342 174.900 0.463 0.000 1.392 350 G CA -1.217 44.017 45.100 0.223 0.000 0.810 350 G HN -0.821 7.525 8.290 0.093 0.000 0.508 351 E N -0.397 120.039 120.200 0.393 0.000 2.204 351 E HA 0.157 4.753 4.350 0.251 -0.095 0.276 351 E C 0.823 177.475 176.600 0.087 0.000 0.974 351 E CA -1.430 55.100 56.400 0.218 0.000 0.815 351 E CB 1.791 31.520 29.700 0.049 0.000 1.119 351 E HN 0.036 8.551 8.360 0.260 0.000 0.393 352 L N 4.657 125.889 121.223 0.015 0.000 2.191 352 L HA -0.209 4.202 4.340 0.118 0.000 0.212 352 L C 1.841 178.740 176.870 0.050 0.000 1.103 352 L CA 2.404 57.275 54.840 0.050 0.000 0.769 352 L CB -0.311 41.739 42.059 -0.014 0.000 0.908 352 L HN 0.620 8.696 8.230 -0.084 0.104 0.438 353 K N -1.656 118.739 120.400 -0.008 0.000 2.293 353 K HA -0.408 3.881 4.320 -0.052 0.000 0.204 353 K C 1.256 177.856 176.600 -0.001 0.000 1.045 353 K CA 2.241 58.511 56.287 -0.028 0.000 0.933 353 K CB -0.597 31.873 32.500 -0.050 0.000 0.736 353 K HN 0.055 8.176 8.250 -0.031 0.110 0.463 354 D N -3.229 117.194 120.400 0.038 0.000 2.172 354 D HA -0.245 4.410 4.640 0.025 0.000 0.196 354 D C 1.006 177.319 176.300 0.022 0.000 0.999 354 D CA 2.488 56.511 54.000 0.040 0.000 0.856 354 D CB 0.383 41.224 40.800 0.069 0.000 0.934 354 D HN -0.443 7.899 8.370 0.059 0.063 0.453 355 Q N -7.124 112.693 119.800 0.029 0.000 2.378 355 Q HA 0.030 4.300 4.340 -0.116 0.000 0.184 355 Q C -0.954 174.898 176.000 -0.247 0.000 0.715 355 Q CA 0.642 56.406 55.803 -0.066 0.000 0.903 355 Q CB 2.037 30.792 28.738 0.028 0.000 1.266 355 Q HN -0.728 7.570 8.270 0.075 0.018 0.415 356 H N -0.865 118.204 119.070 -0.002 0.000 2.907 356 H HA 0.489 4.926 4.556 -0.198 0.000 0.361 356 H C -1.718 173.425 175.328 -0.307 0.000 1.194 356 H CA -0.422 55.485 56.048 -0.236 0.000 1.152 356 H CB 4.034 33.485 29.762 -0.518 0.000 1.867 356 H HN -0.363 8.049 8.280 0.220 0.000 0.561 357 V N -0.879 118.850 119.914 -0.309 0.000 2.427 357 V HA 0.073 4.044 4.120 -0.248 0.000 0.286 357 V C -1.305 174.457 176.094 -0.553 0.000 1.034 357 V CA -0.442 61.615 62.300 -0.404 0.000 0.893 357 V CB 1.032 32.480 31.823 -0.625 0.000 0.982 357 V HN 0.747 8.701 8.190 -0.221 0.103 0.452 358 Y N 6.021 126.295 120.300 -0.044 0.000 2.446 358 Y HA 0.919 5.748 4.550 0.073 -0.235 0.345 358 Y C -0.190 175.784 175.900 0.122 0.000 0.984 358 Y CA -2.106 56.050 58.100 0.094 0.000 1.058 358 Y CB 3.834 42.424 38.460 0.218 0.000 1.220 358 Y HN 0.025 8.360 8.280 0.093 0.000 0.455 359 V N -4.000 116.090 119.914 0.295 0.000 2.823 359 V HA 0.674 5.017 4.120 0.215 -0.094 0.312 359 V C -2.207 173.977 176.094 0.150 0.000 1.072 359 V CA -3.004 59.416 62.300 0.199 0.000 0.937 359 V CB 3.470 35.316 31.823 0.039 0.000 1.013 359 V HN 0.050 8.414 8.190 0.290 0.000 0.430 360 C N 4.966 124.398 119.300 0.221 0.000 2.258 360 C HA 0.341 4.179 4.460 -1.036 0.000 0.321 360 C C 0.654 175.528 174.990 -0.192 0.000 1.168 360 C CA -1.468 57.467 59.018 -0.138 0.000 1.531 360 C CB -0.067 27.900 27.740 0.379 0.000 2.095 360 C HN 0.758 9.055 8.230 0.333 0.132 0.449 361 A N 8.086 130.682 122.820 -0.372 0.000 2.121 361 A HA -0.157 4.104 4.320 -0.098 0.000 0.218 361 A C 0.187 177.719 177.584 -0.086 0.000 1.154 361 A CA 2.881 54.821 52.037 -0.163 0.000 0.679 361 A CB -0.394 18.516 19.000 -0.150 0.000 0.795 361 A HN 0.590 8.332 8.150 -0.679 0.000 0.458 362 V N -4.345 115.519 119.914 -0.084 0.000 2.453 362 V HA -0.175 3.953 4.120 0.013 0.000 0.247 362 V C -0.100 176.020 176.094 0.043 0.000 1.048 362 V CA 1.972 64.282 62.300 0.017 0.000 1.049 362 V CB 0.185 32.072 31.823 0.105 0.000 0.672 362 V HN -0.634 7.312 8.190 -0.194 0.128 0.457 363 C N -3.755 115.588 119.300 0.072 0.000 2.679 363 C HA 0.329 4.799 4.460 0.016 0.000 0.354 363 C C 0.297 175.322 174.990 0.059 0.000 1.067 363 C CA -1.484 57.578 59.018 0.074 0.000 1.317 363 C CB -0.544 27.281 27.740 0.142 0.000 1.843 363 C HN -0.090 8.000 8.230 0.060 0.176 0.459 364 Q N 4.586 124.353 119.800 -0.055 0.000 2.100 364 Q HA -0.468 3.813 4.340 -0.099 0.000 0.163 364 Q C -0.858 175.101 176.000 -0.069 0.000 0.618 364 Q CA 2.055 57.790 55.803 -0.114 0.000 1.485 364 Q CB -2.340 26.241 28.738 -0.263 0.000 1.627 364 Q HN 0.709 8.945 8.270 -0.058 0.000 0.824 365 N N -7.138 111.544 118.700 -0.031 0.000 2.878 365 N HA -0.507 4.566 4.740 0.065 -0.295 0.247 365 N C -1.946 173.558 175.510 -0.011 0.000 1.021 365 N CA 0.748 53.802 53.050 0.007 0.000 0.873 365 N CB -0.549 37.934 38.487 -0.008 0.000 1.128 365 N HN 0.220 8.418 8.380 0.002 0.184 0.571 366 V N -1.906 117.903 119.914 -0.176 0.000 2.588 366 V HA 0.470 4.776 4.120 -0.008 -0.192 0.304 366 V C -1.698 174.091 176.094 -0.508 0.000 1.042 366 V CA -0.468 61.738 62.300 -0.157 0.000 0.877 366 V CB 2.623 34.436 31.823 -0.017 0.000 0.996 366 V HN -0.598 7.741 8.190 -0.247 -0.297 0.425 367 F N 3.520 123.554 119.950 0.140 0.000 2.611 367 F HA 0.400 4.954 4.527 0.045 0.000 0.324 367 F C -0.622 175.292 175.800 0.191 0.000 1.061 367 F CA -1.038 57.036 58.000 0.124 0.000 0.954 367 F CB 4.267 43.319 39.000 0.087 0.000 1.301 367 F HN 0.903 9.201 8.300 0.212 0.129 0.482 368 C N -1.455 118.031 119.300 0.311 0.000 2.407 368 C HA 0.348 4.982 4.460 0.291 0.000 0.366 368 C C 1.050 176.023 174.990 -0.028 0.000 1.213 368 C CA -0.876 58.264 59.018 0.204 0.000 2.011 368 C CB 3.186 31.004 27.740 0.129 0.000 2.306 368 C HN 0.446 8.892 8.230 0.361 0.000 0.527 369 V N -0.050 119.859 119.914 -0.008 0.000 2.515 369 V HA -0.370 3.393 4.120 -0.596 0.000 0.250 369 V C 0.652 176.693 176.094 -0.089 0.000 1.058 369 V CA 3.780 65.979 62.300 -0.169 0.000 1.064 369 V CB -0.068 31.777 31.823 0.036 0.000 0.675 369 V HN 0.571 8.854 8.190 0.155 0.000 0.461 370 D N 1.283 121.693 120.400 0.017 0.000 2.117 370 D HA -0.231 4.439 4.640 0.049 0.000 0.197 370 D C 0.764 177.111 176.300 0.078 0.000 0.987 370 D CA 3.076 57.112 54.000 0.060 0.000 0.829 370 D CB -0.793 40.081 40.800 0.123 0.000 0.961 370 D HN 0.060 8.451 8.370 0.049 0.009 0.460 371 C N -2.318 117.028 119.300 0.076 0.000 2.432 371 C HA -0.129 4.471 4.460 0.233 0.000 0.280 371 C C 2.495 177.439 174.990 -0.075 0.000 1.353 371 C CA 1.277 60.356 59.018 0.102 0.000 1.766 371 C CB -0.873 26.969 27.740 0.170 0.000 1.924 371 C HN -0.016 8.124 8.230 0.059 0.125 0.509 372 D N 1.563 121.837 120.400 -0.211 0.000 2.117 372 D HA -0.273 4.110 4.640 -0.429 0.000 0.197 372 D C 2.034 178.258 176.300 -0.127 0.000 0.987 372 D CA 3.278 57.108 54.000 -0.282 0.000 0.829 372 D CB -0.025 40.583 40.800 -0.321 0.000 0.961 372 D HN -0.485 7.743 8.370 -0.238 0.000 0.460 373 V N -0.980 118.933 119.914 -0.002 0.000 2.913 373 V HA -0.262 4.052 4.120 0.323 0.000 0.260 373 V C 0.717 176.873 176.094 0.103 0.000 1.098 373 V CA 1.652 64.041 62.300 0.149 0.000 1.121 373 V CB 0.081 31.977 31.823 0.120 0.000 0.714 373 V HN -0.573 7.598 8.190 -0.032 0.000 0.487 374 F N -0.080 119.812 119.950 -0.097 0.000 2.120 374 F HA -0.351 4.153 4.527 -0.038 0.000 0.300 374 F C 0.441 176.189 175.800 -0.086 0.000 1.095 374 F CA 3.091 61.047 58.000 -0.073 0.000 1.249 374 F CB 0.264 39.216 39.000 -0.081 0.000 0.995 374 F HN -0.805 7.371 8.300 0.142 0.210 0.480 375 V N -6.335 113.609 119.914 0.050 0.000 2.548 375 V HA -0.413 3.773 4.120 0.110 0.000 0.249 375 V C 1.753 177.764 176.094 -0.139 0.000 1.055 375 V CA 2.904 65.172 62.300 -0.054 0.000 1.065 375 V CB -0.768 30.945 31.823 -0.185 0.000 0.681 375 V HN -0.566 7.580 8.190 -0.000 0.045 0.462 376 H N -0.187 118.872 119.070 -0.018 0.000 2.352 376 H HA -0.241 4.293 4.556 -0.036 0.000 0.299 376 H C 0.993 176.300 175.328 -0.034 0.000 1.097 376 H CA 3.590 59.616 56.048 -0.036 0.000 1.311 376 H CB -0.260 29.474 29.762 -0.047 0.000 1.377 376 H HN -0.169 8.015 8.280 -0.160 0.000 0.504 377 D N -2.824 117.609 120.400 0.056 0.000 2.394 377 D HA -0.024 4.632 4.640 0.028 0.000 0.237 377 D C 1.468 177.763 176.300 -0.007 0.000 1.028 377 D CA 1.084 55.092 54.000 0.014 0.000 0.937 377 D CB 1.149 41.944 40.800 -0.009 0.000 1.072 377 D HN -0.177 8.217 8.370 0.039 0.000 0.457 378 S N -0.932 114.742 115.700 -0.044 0.000 2.400 378 S HA -0.162 4.285 4.470 -0.039 0.000 0.232 378 S C 0.407 175.006 174.600 -0.000 0.000 1.025 378 S CA 2.604 60.772 58.200 -0.053 0.000 0.993 378 S CB 0.407 63.522 63.200 -0.143 0.000 0.808 378 S HN 0.194 8.462 8.310 -0.071 0.000 0.478 379 L N -1.071 120.169 121.223 0.030 0.000 2.806 379 L HA 0.103 4.506 4.340 0.104 0.000 0.203 379 L C -0.653 176.302 176.870 0.142 0.000 1.435 379 L CA 0.288 55.193 54.840 0.109 0.000 2.687 379 L CB 0.749 42.928 42.059 0.201 0.000 2.525 379 L HN -0.210 7.894 8.230 0.006 0.130 0.963 380 H N -3.568 115.517 119.070 0.025 0.000 2.941 380 H HA 0.135 4.700 4.556 0.015 0.000 0.344 380 H C -0.233 175.077 175.328 -0.030 0.000 1.235 380 H CA -1.369 54.688 56.048 0.015 0.000 1.149 380 H CB 2.886 32.675 29.762 0.044 0.000 1.885 380 H HN -0.506 7.878 8.280 0.174 0.000 0.558 381 S N 0.178 115.457 115.700 -0.702 0.000 2.400 381 S HA -0.134 4.146 4.470 -0.316 0.000 0.232 381 S C -0.277 174.102 174.600 -0.368 0.000 1.025 381 S CA 2.304 60.206 58.200 -0.497 0.000 0.993 381 S CB -0.010 62.890 63.200 -0.500 0.000 0.808 381 S HN 0.056 7.661 8.310 -1.176 0.000 0.478 382 C N -1.142 118.007 119.300 -0.252 0.000 2.971 382 C HA 0.409 4.786 4.460 -0.139 0.000 0.310 382 C C -2.086 173.048 174.990 0.240 0.000 1.285 382 C CA -3.153 55.865 59.018 -0.001 0.000 1.593 382 C CB 0.834 28.629 27.740 0.092 0.000 2.076 382 C HN -0.830 7.098 8.230 -0.489 0.008 0.472 383 P HA -0.067 4.553 4.420 0.333 0.000 0.213 383 P C 0.967 178.506 177.300 0.399 0.000 1.176 383 P CA 1.631 64.912 63.100 0.302 0.000 0.894 383 P CB 0.857 32.617 31.700 0.100 0.000 0.771 384 G N -2.301 106.825 108.800 0.543 0.000 2.462 384 G HA2 -0.307 3.744 3.960 0.153 0.000 0.220 384 G HA3 -0.307 3.891 3.960 0.397 0.000 0.220 384 G C 0.472 175.459 174.900 0.145 0.000 1.121 384 G CA 1.526 46.825 45.100 0.331 0.000 0.758 384 G HN 0.330 9.016 8.290 0.661 0.000 0.559 385 C N -2.015 117.408 119.300 0.205 0.000 2.413 385 C HA -0.253 4.271 4.460 0.108 0.000 0.277 385 C C 0.790 175.761 174.990 -0.032 0.000 1.265 385 C CA 0.496 59.593 59.018 0.132 0.000 1.752 385 C CB -1.562 26.339 27.740 0.268 0.000 1.998 385 C HN -0.039 8.309 8.230 0.299 0.061 0.489 386 I N 0.000 120.459 120.570 -0.185 0.000 0.000 386 I HA 0.000 4.049 4.170 -0.202 0.000 0.000 386 I CA 0.000 61.181 61.300 -0.198 0.000 0.000 386 I CB 0.000 37.849 38.000 -0.251 0.000 0.000 386 I HN 0.000 8.083 8.210 -0.211 0.000 0.000