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 1nm7_1_A DATA FIRST_RESID 310 DATA SEQUENCE FARALYDFVP ENPEMEVALK KGDLMAILSK KDPLGRDSDW WKVRTKNGNI DATA SEQUENCE GYIPYNYIEI I 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 310 F HA 0.000 4.521 4.527 -0.011 0.000 0.279 310 F C 0.000 175.820 175.800 0.034 0.000 0.967 310 F CA 0.000 58.005 58.000 0.009 0.000 1.383 310 F CB 0.000 39.010 39.000 0.016 0.000 1.145 311 A N -2.020 120.987 122.820 0.312 0.000 2.532 311 A HA 0.905 5.473 4.320 0.189 -0.134 0.290 311 A C -1.972 175.706 177.584 0.157 0.000 1.143 311 A CA -1.480 50.684 52.037 0.212 0.000 0.728 311 A CB 3.599 22.743 19.000 0.241 0.000 1.317 311 A HN 0.106 8.488 8.150 0.387 0.000 0.414 312 R N -2.106 118.466 120.500 0.118 0.000 2.919 312 R HA 0.769 5.155 4.340 0.077 0.000 0.260 312 R C -1.606 174.725 176.300 0.052 0.000 1.067 312 R CA -2.440 53.703 56.100 0.073 0.000 1.003 312 R CB 4.517 34.844 30.300 0.045 0.000 1.192 312 R HN 0.514 8.748 8.270 0.130 0.114 0.488 313 A N 1.920 124.759 122.820 0.031 0.000 2.252 313 A HA 0.281 4.626 4.320 0.042 0.000 0.309 313 A C -1.140 176.420 177.584 -0.041 0.000 1.285 313 A CA -0.932 51.122 52.037 0.028 0.000 0.900 313 A CB 1.165 20.201 19.000 0.060 0.000 1.157 313 A HN 0.656 8.740 8.150 0.029 0.083 0.536 314 L N 4.248 125.421 121.223 -0.082 0.000 2.004 314 L HA -0.034 4.105 4.340 -0.334 0.000 0.205 314 L C 0.198 176.793 176.870 -0.458 0.000 1.089 314 L CA 2.170 56.819 54.840 -0.319 0.000 0.756 314 L CB 0.437 42.294 42.059 -0.338 0.000 0.900 314 L HN -0.139 8.080 8.230 -0.018 0.000 0.440 315 Y N -4.376 115.895 120.300 -0.047 0.000 2.528 315 Y HA 0.008 4.551 4.550 -0.012 0.000 0.335 315 Y C -1.160 174.844 175.900 0.172 0.000 1.093 315 Y CA -1.960 56.142 58.100 0.004 0.000 1.134 315 Y CB 1.921 40.294 38.460 -0.145 0.000 1.253 315 Y HN -0.910 7.450 8.280 0.133 0.000 0.478 316 D N 1.838 122.415 120.400 0.296 0.000 2.455 316 D HA -0.341 4.503 4.640 0.205 -0.081 0.265 316 D C -0.933 175.556 176.300 0.314 0.000 1.284 316 D CA 1.523 55.667 54.000 0.239 0.000 0.944 316 D CB -0.116 40.773 40.800 0.149 0.000 1.121 316 D HN 0.044 8.570 8.370 0.260 0.000 0.525 317 F N 6.148 126.192 119.950 0.157 0.000 2.368 317 F HA 0.222 4.794 4.527 0.075 0.000 0.315 317 F C -1.335 174.488 175.800 0.039 0.000 1.145 317 F CA -0.606 57.446 58.000 0.087 0.000 1.095 317 F CB 2.082 41.120 39.000 0.063 0.000 1.286 317 F HN -0.477 7.962 8.300 0.392 0.096 0.530 318 V N 2.468 121.695 119.914 -1.146 0.000 2.969 318 V HA 0.137 4.047 4.120 -0.350 0.000 0.304 318 V C -2.573 172.985 176.094 -0.894 0.000 1.192 318 V CA -3.000 58.882 62.300 -0.696 0.000 0.962 318 V CB 2.597 34.195 31.823 -0.375 0.000 1.045 318 V HN 0.113 6.812 8.190 -2.486 0.000 0.428 319 P HA -0.060 4.356 4.420 -0.005 0.000 0.251 319 P C -0.536 176.670 177.300 -0.156 0.000 1.154 319 P CA 0.538 63.548 63.100 -0.150 0.000 0.805 319 P CB 0.183 31.845 31.700 -0.064 0.000 0.759 320 E N 3.496 123.669 120.200 -0.045 0.000 2.130 320 E HA -0.381 3.943 4.350 -0.043 0.000 0.196 320 E C -0.486 176.121 176.600 0.013 0.000 0.998 320 E CA 2.078 58.506 56.400 0.047 0.000 0.806 320 E CB 0.365 30.257 29.700 0.320 0.000 0.738 320 E HN 0.347 8.770 8.360 0.105 0.000 0.459 321 N N -4.192 114.511 118.700 0.004 0.000 2.235 321 N HA 0.209 4.936 4.740 -0.022 0.000 0.293 321 N C -1.974 173.518 175.510 -0.030 0.000 1.083 321 N CA -2.365 50.673 53.050 -0.020 0.000 0.801 321 N CB 2.142 40.611 38.487 -0.030 0.000 1.559 321 N HN -0.560 7.821 8.380 0.023 0.012 0.472 322 P HA 0.174 4.576 4.420 -0.030 0.000 0.246 322 P C -1.510 175.772 177.300 -0.031 0.000 1.686 322 P CA 0.713 63.795 63.100 -0.030 0.000 0.867 322 P CB -1.042 30.642 31.700 -0.027 0.000 1.733 323 E N -0.555 119.622 120.200 -0.038 0.000 2.571 323 E HA 0.066 4.393 4.350 -0.037 0.000 0.204 323 E C -0.925 175.640 176.600 -0.057 0.000 0.851 323 E CA 0.416 56.789 56.400 -0.046 0.000 1.358 323 E CB 2.516 32.184 29.700 -0.054 0.000 1.327 323 E HN 0.300 8.497 8.360 -0.040 0.140 0.665 324 M N 0.978 120.533 119.600 -0.073 0.000 2.356 324 M HA 0.131 4.575 4.480 -0.060 0.000 0.215 324 M C -2.379 173.868 176.300 -0.087 0.000 0.978 324 M CA 1.081 56.324 55.300 -0.095 0.000 0.972 324 M CB 0.926 33.429 32.600 -0.162 0.000 2.529 324 M HN -0.621 7.628 8.290 -0.070 0.000 0.447 325 E N 2.596 122.799 120.200 0.006 0.000 2.422 325 E HA 0.426 4.853 4.350 0.129 0.000 0.280 325 E C -1.881 174.824 176.600 0.175 0.000 1.091 325 E CA -0.914 55.563 56.400 0.129 0.000 0.849 325 E CB 4.030 33.853 29.700 0.204 0.000 1.353 325 E HN -0.120 8.245 8.360 0.008 0.000 0.449 326 V N -3.049 117.057 119.914 0.320 0.000 3.096 326 V HA 0.327 4.551 4.120 0.173 0.000 0.319 326 V C -1.583 174.728 176.094 0.362 0.000 1.082 326 V CA -3.048 59.418 62.300 0.277 0.000 1.022 326 V CB 1.888 33.851 31.823 0.232 0.000 1.103 326 V HN -0.209 8.262 8.190 0.469 0.000 0.455 327 A N 0.529 123.492 122.820 0.239 0.000 2.342 327 A HA 0.170 4.604 4.320 0.189 0.000 0.323 327 A C -1.630 176.086 177.584 0.220 0.000 1.125 327 A CA -1.021 51.133 52.037 0.195 0.000 0.785 327 A CB 2.091 21.142 19.000 0.084 0.000 1.221 327 A HN -0.070 8.187 8.150 0.177 0.000 0.463 328 L N 0.196 121.567 121.223 0.247 0.000 2.422 328 L HA 0.479 5.093 4.340 0.159 -0.179 0.264 328 L C -0.836 176.130 176.870 0.159 0.000 0.984 328 L CA -1.408 53.560 54.840 0.213 0.000 0.819 328 L CB 4.301 46.532 42.059 0.287 0.000 1.330 328 L HN -0.097 8.152 8.230 0.236 0.122 0.410 329 K N 0.146 120.613 120.400 0.111 0.000 2.464 329 K HA 0.282 4.944 4.320 0.091 -0.287 0.252 329 K C -0.112 176.528 176.600 0.068 0.000 1.000 329 K CA -2.261 54.076 56.287 0.083 0.000 0.951 329 K CB 0.379 32.913 32.500 0.057 0.000 1.183 329 K HN 0.137 8.447 8.250 0.100 0.000 0.445 330 K N 7.408 127.853 120.400 0.074 0.000 2.345 330 K HA -0.636 3.818 4.320 0.015 -0.125 0.243 330 K C 0.544 177.141 176.600 -0.005 0.000 1.157 330 K CA 1.883 58.186 56.287 0.026 0.000 1.198 330 K CB -1.260 31.254 32.500 0.023 0.000 0.724 330 K HN 0.874 9.242 8.250 0.104 -0.055 0.514 331 G N 4.545 113.331 108.800 -0.024 0.000 2.231 331 G HA2 -0.400 3.533 3.960 -0.045 0.000 0.206 331 G HA3 -0.400 3.550 3.960 -0.017 0.000 0.206 331 G C -0.136 174.767 174.900 0.004 0.000 0.996 331 G CA -0.632 44.455 45.100 -0.022 0.000 0.645 331 G HN 0.232 8.503 8.290 -0.033 0.000 0.498 332 D N 1.044 121.459 120.400 0.026 0.000 2.232 332 D HA -0.038 4.624 4.640 0.035 0.000 0.242 332 D C -1.358 174.967 176.300 0.041 0.000 1.330 332 D CA 0.816 54.841 54.000 0.040 0.000 0.954 332 D CB 1.256 42.094 40.800 0.063 0.000 1.202 332 D HN -0.236 7.984 8.370 0.032 0.169 0.530 333 L N -2.699 118.554 121.223 0.050 0.000 2.424 333 L HA 0.665 5.112 4.340 0.060 -0.072 0.258 333 L C -1.848 175.056 176.870 0.056 0.000 0.995 333 L CA -0.663 54.212 54.840 0.057 0.000 0.821 333 L CB 4.092 46.187 42.059 0.059 0.000 1.383 333 L HN 0.082 8.342 8.230 0.051 0.000 0.410 334 M N -1.502 118.137 119.600 0.065 0.000 2.534 334 M HA 0.255 4.739 4.480 0.006 0.000 0.280 334 M C -2.566 173.752 176.300 0.031 0.000 1.217 334 M CA -0.532 54.790 55.300 0.037 0.000 0.893 334 M CB 5.970 38.601 32.600 0.052 0.000 1.730 334 M HN 0.188 8.425 8.290 0.088 0.106 0.483 335 A N 1.221 123.979 122.820 -0.104 0.000 2.260 335 A HA 0.502 4.805 4.320 -0.028 0.000 0.314 335 A C -1.813 175.724 177.584 -0.079 0.000 1.257 335 A CA -1.626 50.252 52.037 -0.265 0.000 0.871 335 A CB 1.396 19.798 19.000 -0.997 0.000 1.166 335 A HN 0.382 8.352 8.150 -0.119 0.108 0.522 336 I N 0.101 120.717 120.570 0.077 0.000 2.428 336 I HA 0.739 5.158 4.170 0.083 -0.199 0.296 336 I C -1.019 175.107 176.117 0.015 0.000 0.985 336 I CA -0.593 60.750 61.300 0.071 0.000 1.260 336 I CB 1.267 39.329 38.000 0.104 0.000 1.389 336 I HN 0.341 8.663 8.210 0.187 0.000 0.484 337 L N 3.338 124.552 121.223 -0.015 0.000 2.666 337 L HA 0.305 4.633 4.340 -0.021 0.000 0.184 337 L C 0.795 177.609 176.870 -0.093 0.000 1.092 337 L CA 0.207 55.027 54.840 -0.032 0.000 0.857 337 L CB 0.362 42.422 42.059 0.002 0.000 1.281 337 L HN 0.242 8.485 8.230 0.020 0.000 0.489 338 S N -0.528 115.136 115.700 -0.060 0.000 2.617 338 S HA -0.176 4.247 4.470 -0.079 0.000 0.259 338 S C -0.318 174.162 174.600 -0.199 0.000 1.301 338 S CA 0.716 58.867 58.200 -0.081 0.000 0.984 338 S CB 0.342 63.522 63.200 -0.033 0.000 0.954 338 S HN -0.210 8.099 8.310 -0.002 0.000 0.572 339 K N 1.124 121.446 120.400 -0.130 0.000 3.224 339 K HA 0.190 4.143 4.320 -0.611 0.000 0.302 339 K C 1.140 177.881 176.600 0.235 0.000 0.977 339 K CA 0.135 56.339 56.287 -0.139 0.000 1.343 339 K CB 0.960 33.366 32.500 -0.156 0.000 3.431 339 K HN 0.232 8.443 8.250 -0.065 0.000 1.096 340 K N -1.582 118.923 120.400 0.174 0.000 2.281 340 K HA -0.253 4.211 4.320 0.239 0.000 0.203 340 K C 0.425 177.071 176.600 0.077 0.000 1.046 340 K CA 2.107 58.491 56.287 0.162 0.000 0.938 340 K CB -0.411 32.148 32.500 0.099 0.000 0.737 340 K HN 0.431 8.740 8.250 0.099 0.000 0.458 341 D N -3.582 116.838 120.400 0.033 0.000 2.954 341 D HA -0.114 4.506 4.640 -0.033 0.000 0.238 341 D C -1.305 174.989 176.300 -0.010 0.000 0.925 341 D CA 2.194 56.180 54.000 -0.023 0.000 1.960 341 D CB -2.391 38.356 40.800 -0.088 0.000 1.294 341 D HN -0.120 8.212 8.370 0.036 0.060 0.616 342 P HA 0.063 4.484 4.420 0.001 0.000 0.204 342 P C 0.497 177.799 177.300 0.003 0.000 1.180 342 P CA 0.841 63.942 63.100 0.002 0.000 0.897 342 P CB 0.129 31.830 31.700 0.003 0.000 0.737 343 L N -1.109 120.118 121.223 0.008 0.000 1.988 343 L HA -0.123 4.220 4.340 0.004 0.000 0.207 343 L C 1.119 177.993 176.870 0.007 0.000 1.071 343 L CA 0.947 55.791 54.840 0.008 0.000 0.744 343 L CB -0.157 41.909 42.059 0.012 0.000 0.893 343 L HN -0.428 7.808 8.230 0.010 0.000 0.433 344 G N -4.071 104.739 108.800 0.017 0.000 2.186 344 G HA2 -0.216 3.759 3.960 0.026 0.000 0.130 344 G HA3 -0.216 3.744 3.960 0.001 0.000 0.130 344 G C -0.764 174.153 174.900 0.028 0.000 1.031 344 G CA -0.509 44.601 45.100 0.017 0.000 0.697 344 G HN -0.452 7.853 8.290 0.025 0.000 0.494 345 R N -1.274 119.250 120.500 0.039 0.000 2.716 345 R HA 0.092 4.448 4.340 0.028 0.000 0.202 345 R C -0.909 175.424 176.300 0.056 0.000 1.114 345 R CA -0.399 55.724 56.100 0.039 0.000 1.084 345 R CB 0.972 31.294 30.300 0.037 0.000 1.282 345 R HN -0.283 8.012 8.270 0.042 0.000 0.506 346 D N -0.844 119.586 120.400 0.050 0.000 2.193 346 D HA 0.167 4.839 4.640 0.054 0.000 0.244 346 D C -1.209 175.128 176.300 0.063 0.000 1.064 346 D CA 0.181 54.211 54.000 0.050 0.000 0.845 346 D CB 1.071 41.890 40.800 0.032 0.000 1.148 346 D HN 0.100 8.496 8.370 0.042 0.000 0.464 347 S N -0.759 114.980 115.700 0.065 0.000 2.727 347 S HA -0.018 4.495 4.470 0.072 0.000 0.275 347 S C -2.172 172.448 174.600 0.035 0.000 0.995 347 S CA 0.089 58.336 58.200 0.078 0.000 0.893 347 S CB 2.690 65.963 63.200 0.122 0.000 1.135 347 S HN 0.005 8.345 8.310 0.050 0.000 0.460 348 D N 1.192 121.603 120.400 0.019 0.000 2.485 348 D HA 0.055 4.526 4.640 -0.282 0.000 0.221 348 D C -1.997 174.132 176.300 -0.286 0.000 1.112 348 D CA -0.006 53.912 54.000 -0.136 0.000 0.911 348 D CB -0.594 40.194 40.800 -0.019 0.000 1.019 348 D HN 0.238 8.639 8.370 0.052 0.000 0.516 349 W N 2.481 123.575 121.300 -0.343 0.000 3.164 349 W HA 0.026 4.568 4.660 -0.197 0.000 0.311 349 W C -2.729 173.752 176.519 -0.064 0.000 1.080 349 W CA -0.219 57.008 57.345 -0.197 0.000 1.231 349 W CB 2.547 31.958 29.460 -0.082 0.000 1.060 349 W HN -0.362 7.595 8.180 -0.372 0.000 0.358 350 W N 2.576 124.012 121.300 0.227 0.000 2.929 350 W HA 0.461 5.268 4.660 -0.007 -0.150 0.345 350 W C -1.586 174.961 176.519 0.046 0.000 1.151 350 W CA -3.266 54.118 57.345 0.066 0.000 1.111 350 W CB 4.025 33.519 29.460 0.056 0.000 1.449 350 W HN 0.401 8.581 8.180 0.179 0.107 0.572 351 K N -0.119 120.426 120.400 0.242 0.000 2.138 351 K HA 0.511 5.231 4.320 0.424 -0.145 0.263 351 K C -1.547 175.185 176.600 0.220 0.000 0.965 351 K CA -1.423 55.017 56.287 0.254 0.000 0.868 351 K CB 2.294 34.909 32.500 0.191 0.000 1.083 351 K HN 0.100 8.480 8.250 0.217 0.000 0.443 352 V N 1.455 121.495 119.914 0.210 0.000 3.181 352 V HA 0.808 5.166 4.120 0.081 -0.189 0.308 352 V C -2.677 173.458 176.094 0.069 0.000 1.214 352 V CA -2.780 59.589 62.300 0.115 0.000 1.053 352 V CB 4.881 36.768 31.823 0.107 0.000 1.069 352 V HN 0.593 8.839 8.190 0.275 0.109 0.441 353 R N 2.930 123.426 120.500 -0.006 0.000 2.473 353 R HA 0.767 5.311 4.340 0.005 -0.201 0.303 353 R C -1.391 174.875 176.300 -0.056 0.000 1.002 353 R CA -1.342 54.737 56.100 -0.035 0.000 0.884 353 R CB 2.723 32.972 30.300 -0.086 0.000 1.173 353 R HN 0.826 8.967 8.270 -0.038 0.107 0.464 354 T N 5.065 119.613 114.554 -0.009 0.000 2.749 354 T HA 0.492 4.831 4.350 -0.018 0.000 0.287 354 T C 0.410 175.107 174.700 -0.006 0.000 0.970 354 T CA -1.348 60.751 62.100 -0.001 0.000 0.980 354 T CB 1.197 70.089 68.868 0.040 0.000 0.924 354 T HN 0.861 8.999 8.240 0.016 0.111 0.456 355 K N 6.837 127.226 120.400 -0.018 0.000 3.048 355 K HA -0.479 3.834 4.320 -0.012 0.000 0.274 355 K C -1.187 175.404 176.600 -0.015 0.000 1.098 355 K CA 1.746 58.027 56.287 -0.010 0.000 0.807 355 K CB -1.894 30.610 32.500 0.008 0.000 1.217 355 K HN 0.826 9.059 8.250 -0.027 0.000 0.477 356 N N -7.760 110.920 118.700 -0.033 0.000 2.778 356 N HA -0.298 4.418 4.740 -0.040 0.000 0.249 356 N C 0.075 175.580 175.510 -0.009 0.000 1.069 356 N CA 1.318 54.351 53.050 -0.028 0.000 0.831 356 N CB -1.472 37.000 38.487 -0.026 0.000 1.142 356 N HN -0.026 8.262 8.380 -0.050 0.063 0.573 357 G N -2.857 105.943 108.800 0.000 0.000 2.651 357 G HA2 0.011 3.974 3.960 0.006 0.000 0.207 357 G HA3 0.011 3.977 3.960 0.012 0.000 0.207 357 G C -0.734 174.176 174.900 0.017 0.000 1.131 357 G CA 0.408 45.513 45.100 0.009 0.000 0.816 357 G HN 0.475 8.562 8.290 -0.001 0.203 0.534 358 N N 1.937 120.652 118.700 0.025 0.000 2.476 358 N HA 0.278 5.041 4.740 0.037 0.000 0.257 358 N C -2.131 173.407 175.510 0.047 0.000 0.970 358 N CA -1.004 52.072 53.050 0.042 0.000 0.938 358 N CB 1.402 39.928 38.487 0.064 0.000 1.144 358 N HN -0.155 8.237 8.380 0.021 0.000 0.500 359 I N 3.959 124.556 120.570 0.045 0.000 2.389 359 I HA 0.702 5.133 4.170 0.063 -0.223 0.288 359 I C -0.958 175.197 176.117 0.063 0.000 0.999 359 I CA -1.106 60.226 61.300 0.053 0.000 1.129 359 I CB 2.039 40.059 38.000 0.033 0.000 1.288 359 I HN 0.471 8.702 8.210 0.035 0.000 0.444 360 G N 4.698 113.570 108.800 0.120 0.000 2.619 360 G HA2 0.312 4.254 3.960 -0.031 0.000 0.146 360 G HA3 0.312 4.332 3.960 0.100 0.000 0.146 360 G C -2.639 172.489 174.900 0.381 0.000 1.192 360 G CA 0.683 45.849 45.100 0.110 0.000 1.063 360 G HN 0.152 8.531 8.290 0.149 0.000 0.538 361 Y N -1.175 119.259 120.300 0.223 0.000 2.675 361 Y HA 0.919 5.748 4.550 0.272 -0.116 0.328 361 Y C -1.276 174.796 175.900 0.286 0.000 1.092 361 Y CA -3.268 55.029 58.100 0.328 0.000 1.190 361 Y CB 4.667 43.338 38.460 0.353 0.000 1.350 361 Y HN -0.079 8.617 8.280 0.325 -0.222 0.525 362 I N -3.269 117.551 120.570 0.417 0.000 2.767 362 I HA 0.327 3.879 4.170 -1.031 0.000 0.281 362 I C -2.842 172.877 176.117 -0.663 0.000 1.532 362 I CA -2.180 58.816 61.300 -0.507 0.000 1.103 362 I CB 4.221 41.851 38.000 -0.617 0.000 1.466 362 I HN 0.784 9.421 8.210 0.711 0.000 0.421 363 P HA 0.075 3.728 4.420 -1.586 -0.184 0.263 363 P C -0.004 176.897 177.300 -0.666 0.000 1.175 363 P CA -0.502 61.855 63.100 -1.238 0.000 0.761 363 P CB 0.468 31.531 31.700 -1.062 0.000 0.794 364 Y N 4.951 124.750 120.300 -0.834 0.000 2.333 364 Y HA -0.305 3.628 4.550 -1.028 0.000 0.290 364 Y C 0.729 176.342 175.900 -0.478 0.000 1.144 364 Y CA 2.766 60.284 58.100 -0.970 0.000 1.228 364 Y CB 0.193 37.754 38.460 -1.498 0.000 0.985 364 Y HN 0.235 8.039 8.280 -0.646 0.088 0.542 365 N N -1.085 117.203 118.700 -0.687 0.000 2.501 365 N HA -0.095 4.097 4.740 -0.913 0.000 0.195 365 N C -0.582 174.751 175.510 -0.295 0.000 1.213 365 N CA 1.875 54.577 53.050 -0.580 0.000 0.864 365 N CB -0.160 38.127 38.487 -0.333 0.000 0.999 365 N HN -0.266 8.114 8.380 -0.484 -0.291 0.454 366 Y N -4.080 116.007 120.300 -0.355 0.000 2.626 366 Y HA 0.087 4.695 4.550 0.097 0.000 0.248 366 Y C -1.697 174.127 175.900 -0.126 0.000 1.147 366 Y CA -0.427 57.599 58.100 -0.124 0.000 1.219 366 Y CB 1.245 39.616 38.460 -0.148 0.000 1.279 366 Y HN -0.505 7.504 8.280 -0.237 0.129 0.541 367 I N -6.852 113.668 120.570 -0.083 0.000 2.969 367 I HA 0.635 4.912 4.170 0.003 -0.105 0.307 367 I C -1.791 174.333 176.117 0.011 0.000 1.149 367 I CA -2.666 58.629 61.300 -0.009 0.000 1.008 367 I CB 3.848 41.889 38.000 0.067 0.000 1.232 367 I HN -0.704 7.376 8.210 -0.216 0.000 0.435 368 E N 1.212 121.451 120.200 0.064 0.000 2.204 368 E HA 0.296 4.690 4.350 0.073 0.000 0.276 368 E C -1.153 175.557 176.600 0.183 0.000 0.974 368 E CA -2.539 53.915 56.400 0.089 0.000 0.815 368 E CB 2.847 32.567 29.700 0.033 0.000 1.119 368 E HN 0.393 8.658 8.360 0.062 0.132 0.393 369 I N 5.080 125.777 120.570 0.212 0.000 2.312 369 I HA -0.000 4.305 4.170 0.226 0.000 0.290 369 I C 0.381 176.566 176.117 0.114 0.000 1.008 369 I CA -1.081 60.345 61.300 0.210 0.000 1.226 369 I CB 0.618 38.776 38.000 0.264 0.000 1.371 369 I HN 0.332 8.658 8.210 0.193 0.000 0.468 370 I N 0.000 120.619 120.570 0.082 0.000 2.984 370 I HA 0.000 4.193 4.170 0.039 0.000 0.288 370 I CA 0.000 61.321 61.300 0.036 0.000 1.566 370 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 370 I HN 0.000 8.270 8.210 0.099 0.000 0.494