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 2hdp_1_A DATA FIRST_RESID 429 DATA SEQUENCE SLPLNAIEPC VICQGRPKNG CIVHGKTGHL MACFTCAKKL KKRNKPCPVC DATA SEQUENCE RQPIQMIVLT YFP 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 429 S HA 0.000 4.487 4.470 0.028 0.000 0.327 429 S C 0.000 174.638 174.600 0.063 0.000 1.055 429 S CA 0.000 58.220 58.200 0.034 0.000 1.107 429 S CB 0.000 63.216 63.200 0.027 0.000 0.593 430 L N 2.548 123.811 121.223 0.067 0.000 2.641 430 L HA 0.414 4.813 4.340 0.098 0.000 0.207 430 L C -2.012 174.923 176.870 0.109 0.000 1.049 430 L CA 0.197 55.086 54.840 0.083 0.000 0.866 430 L CB -0.942 41.149 42.059 0.053 0.000 1.264 430 L HN -0.419 7.841 8.230 0.050 0.000 0.483 431 P HA 0.104 4.584 4.420 0.101 0.000 0.293 431 P C -0.281 177.112 177.300 0.155 0.000 1.298 431 P CA -1.013 62.147 63.100 0.099 0.000 0.757 431 P CB 0.653 32.388 31.700 0.059 0.000 1.262 432 L N -1.988 119.328 121.223 0.155 0.000 2.263 432 L HA -0.190 4.398 4.340 0.415 0.000 0.216 432 L C 1.132 178.015 176.870 0.022 0.000 1.111 432 L CA 1.793 56.749 54.840 0.193 0.000 0.773 432 L CB -0.476 41.665 42.059 0.136 0.000 0.906 432 L HN -0.062 8.237 8.230 0.115 0.000 0.439 433 N N -1.138 117.552 118.700 -0.017 0.000 2.654 433 N HA -0.175 4.515 4.740 -0.083 0.000 0.204 433 N C -0.733 174.677 175.510 -0.166 0.000 1.446 433 N CA 0.541 53.545 53.050 -0.077 0.000 0.895 433 N CB -0.792 37.676 38.487 -0.031 0.000 1.132 433 N HN 0.336 8.672 8.380 0.026 0.060 0.462 434 A N -4.054 118.546 122.820 -0.366 0.000 2.568 434 A HA 0.268 4.587 4.320 -0.310 -0.185 0.287 434 A C -0.033 176.919 177.584 -1.053 0.000 0.967 434 A CA -0.985 50.738 52.037 -0.524 0.000 1.004 434 A CB 0.539 19.368 19.000 -0.285 0.000 1.233 434 A HN -0.068 7.689 8.150 -0.435 0.132 0.513 435 I N 0.140 120.160 120.570 -0.917 0.000 2.118 435 I HA -0.484 2.990 4.170 -1.160 0.000 0.241 435 I C -0.114 175.805 176.117 -0.329 0.000 1.070 435 I CA 2.686 63.564 61.300 -0.704 0.000 1.327 435 I CB 0.247 38.091 38.000 -0.259 0.000 1.034 435 I HN -0.443 7.409 8.210 -0.598 0.000 0.405 436 E N -3.566 116.504 120.200 -0.218 0.000 2.393 436 E HA -0.193 4.102 4.350 -0.092 0.000 0.169 436 E C -2.516 174.053 176.600 -0.052 0.000 1.591 436 E CA 0.013 56.349 56.400 -0.107 0.000 0.661 436 E CB -1.895 27.752 29.700 -0.089 0.000 1.097 436 E HN 0.210 8.430 8.360 -0.234 0.000 0.356 437 P HA 0.069 4.669 4.420 0.009 -0.175 0.307 437 P C -0.305 176.990 177.300 -0.009 0.000 1.306 437 P CA -0.968 62.126 63.100 -0.010 0.000 0.742 437 P CB 1.157 32.853 31.700 -0.008 0.000 1.349 438 C N -1.694 117.606 119.300 0.001 0.000 2.746 438 C HA -0.283 4.271 4.460 -0.005 -0.097 0.403 438 C C 1.529 176.513 174.990 -0.012 0.000 1.270 438 C CA 1.720 60.736 59.018 -0.002 0.000 1.978 438 C CB -0.308 27.437 27.740 0.008 0.000 2.724 438 C HN -0.194 8.042 8.230 0.010 0.000 0.678 439 V N 6.049 125.953 119.914 -0.017 0.000 3.382 439 V HA 0.259 4.368 4.120 -0.017 0.000 0.296 439 V C -0.423 175.658 176.094 -0.021 0.000 1.529 439 V CA 1.491 63.779 62.300 -0.021 0.000 1.048 439 V CB 1.737 33.543 31.823 -0.028 0.000 0.878 439 V HN 0.172 8.351 8.190 -0.018 0.000 0.442 440 I N -1.286 119.274 120.570 -0.017 0.000 4.193 440 I HA 0.040 4.200 4.170 -0.016 0.000 0.287 440 I C 0.978 177.091 176.117 -0.008 0.000 1.175 440 I CA 1.578 62.868 61.300 -0.016 0.000 1.320 440 I CB 1.000 38.987 38.000 -0.021 0.000 1.523 440 I HN -0.557 7.644 8.210 -0.015 0.000 0.450 441 C N -0.295 119.004 119.300 -0.003 0.000 2.496 441 C HA -0.192 4.270 4.460 0.003 0.000 0.281 441 C C 1.155 176.147 174.990 0.004 0.000 1.250 441 C CA 1.332 60.352 59.018 0.003 0.000 1.717 441 C CB -0.395 27.352 27.740 0.011 0.000 2.082 441 C HN 0.016 8.245 8.230 -0.003 0.000 0.472 442 Q N -2.034 117.769 119.800 0.005 0.000 1.719 442 Q HA 0.068 4.409 4.340 0.003 0.000 0.171 442 Q C -0.006 175.996 176.000 0.004 0.000 0.727 442 Q CA 0.270 56.076 55.803 0.005 0.000 0.786 442 Q CB 1.450 30.193 28.738 0.008 0.000 1.209 442 Q HN -0.294 7.979 8.270 0.005 0.000 0.383 443 G N 0.993 109.795 108.800 0.003 0.000 2.132 443 G HA2 -0.384 3.784 3.960 -0.002 0.000 0.234 443 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.234 443 G C -1.335 173.569 174.900 0.007 0.000 0.989 443 G CA 0.142 45.243 45.100 0.002 0.000 0.676 443 G HN -0.456 7.836 8.290 0.004 0.000 0.522 444 R N -1.112 119.397 120.500 0.015 0.000 2.734 444 R HA 0.136 4.490 4.340 0.022 0.000 0.266 444 R C -0.942 175.377 176.300 0.032 0.000 1.044 444 R CA -1.797 54.318 56.100 0.023 0.000 1.128 444 R CB -0.833 29.483 30.300 0.027 0.000 1.010 444 R HN -0.248 7.985 8.270 0.014 0.046 0.461 445 P HA -0.218 4.232 4.420 0.051 0.000 0.227 445 P C -0.890 176.461 177.300 0.084 0.000 1.145 445 P CA 0.782 63.921 63.100 0.064 0.000 0.769 445 P CB -0.048 31.703 31.700 0.084 0.000 0.769 446 K N -2.069 118.374 120.400 0.072 0.000 2.440 446 K HA -0.163 4.213 4.320 0.093 0.000 0.270 446 K C -1.309 175.333 176.600 0.070 0.000 0.980 446 K CA 0.547 56.882 56.287 0.081 0.000 0.953 446 K CB 0.554 33.103 32.500 0.082 0.000 0.925 446 K HN -0.449 7.756 8.250 0.059 0.080 0.497 447 N N -2.706 116.035 118.700 0.068 0.000 2.265 447 N HA 0.326 5.212 4.740 0.015 -0.137 0.300 447 N C -0.759 174.779 175.510 0.047 0.000 1.148 447 N CA -1.281 51.785 53.050 0.027 0.000 0.772 447 N CB 3.352 41.837 38.487 -0.002 0.000 1.434 447 N HN -0.081 8.346 8.380 0.077 0.000 0.481 448 G N -0.450 108.312 108.800 -0.063 0.000 3.748 448 G HA2 -0.014 3.966 3.960 -0.254 0.000 0.292 448 G HA3 -0.014 3.755 3.960 -0.422 -0.062 0.292 448 G C -1.274 173.455 174.900 -0.286 0.000 3.340 448 G CA 0.254 45.194 45.100 -0.267 0.000 0.603 448 G HN -0.302 7.949 8.290 -0.066 0.000 0.290 449 C N 3.203 122.383 119.300 -0.200 0.000 2.662 449 C HA -0.041 4.462 4.460 -0.127 -0.119 0.420 449 C C -0.872 173.993 174.990 -0.208 0.000 1.314 449 C CA 0.332 59.256 59.018 -0.156 0.000 1.963 449 C CB 1.573 29.256 27.740 -0.096 0.000 2.686 449 C HN -0.355 7.778 8.230 -0.161 0.000 0.609 450 I N 6.528 126.987 120.570 -0.184 0.000 2.493 450 I HA 0.731 4.958 4.170 -0.225 -0.191 0.298 450 I C -0.997 174.989 176.117 -0.217 0.000 0.998 450 I CA -1.255 59.916 61.300 -0.215 0.000 1.137 450 I CB 2.338 40.199 38.000 -0.231 0.000 1.310 450 I HN 0.469 8.595 8.210 -0.140 0.000 0.445 451 V N 5.564 125.368 119.914 -0.182 0.000 2.525 451 V HA 0.502 4.699 4.120 -0.139 -0.160 0.299 451 V C -1.776 174.300 176.094 -0.031 0.000 1.034 451 V CA -1.243 60.989 62.300 -0.114 0.000 0.863 451 V CB 2.111 33.908 31.823 -0.043 0.000 0.999 451 V HN 0.542 8.638 8.190 -0.157 0.000 0.423 452 H N 4.409 123.480 119.070 0.002 0.000 2.609 452 H HA 0.532 5.217 4.556 0.002 -0.128 0.344 452 H C 0.818 176.147 175.328 0.001 0.000 1.040 452 H CA -3.780 52.271 56.048 0.006 0.000 1.216 452 H CB 0.347 30.121 29.762 0.020 0.000 1.529 452 H HN 0.933 9.194 8.280 0.137 0.101 0.519 453 G N 6.190 115.057 108.800 0.113 0.000 2.361 453 G HA2 -0.533 3.445 3.960 0.031 0.000 0.294 453 G HA3 -0.533 3.428 3.960 0.002 0.000 0.294 453 G C -0.036 174.887 174.900 0.039 0.000 1.004 453 G CA 1.259 46.384 45.100 0.041 0.000 0.870 453 G HN 0.858 9.604 8.290 0.104 -0.394 0.510 454 K N -5.524 114.910 120.400 0.056 0.000 3.512 454 K HA -0.360 3.982 4.320 0.036 0.000 0.309 454 K C -0.764 175.864 176.600 0.047 0.000 1.350 454 K CA 1.355 57.666 56.287 0.040 0.000 0.960 454 K CB -0.716 31.796 32.500 0.020 0.000 1.290 454 K HN 0.340 8.598 8.250 0.071 0.034 0.454 455 T N -4.362 110.252 114.554 0.099 0.000 2.942 455 T HA 0.376 4.753 4.350 0.046 0.000 0.289 455 T C -1.646 173.165 174.700 0.185 0.000 1.044 455 T CA -1.933 60.236 62.100 0.116 0.000 1.023 455 T CB 3.164 72.085 68.868 0.087 0.000 1.123 455 T HN -0.214 7.930 8.240 0.147 0.185 0.512 456 G N -1.261 107.560 108.800 0.035 0.000 2.684 456 G HA2 0.454 4.267 3.960 -0.308 0.000 0.290 456 G HA3 0.454 4.384 3.960 -0.110 -0.036 0.290 456 G C -2.128 172.637 174.900 -0.225 0.000 1.425 456 G CA 0.035 45.054 45.100 -0.135 0.000 0.822 456 G HN -0.066 8.218 8.290 -0.011 0.000 0.482 457 H N -0.181 118.769 119.070 -0.201 0.000 2.547 457 H HA 0.382 4.898 4.556 -0.067 0.000 0.342 457 H C -1.662 173.594 175.328 -0.119 0.000 1.048 457 H CA -0.198 55.771 56.048 -0.133 0.000 1.204 457 H CB 3.311 32.981 29.762 -0.154 0.000 1.493 457 H HN 0.355 8.422 8.280 -0.175 0.108 0.511 458 L N 4.177 125.432 121.223 0.053 0.000 2.341 458 L HA 0.448 4.776 4.340 -0.020 0.000 0.267 458 L C -1.015 175.868 176.870 0.021 0.000 1.009 458 L CA -0.152 54.693 54.840 0.007 0.000 0.819 458 L CB 2.503 44.554 42.059 -0.013 0.000 1.323 458 L HN 0.436 8.706 8.230 0.067 0.000 0.425 459 M N 0.397 119.992 119.600 -0.009 0.000 2.786 459 M HA -0.320 4.144 4.480 -0.026 0.000 0.221 459 M C -1.847 174.439 176.300 -0.024 0.000 0.583 459 M CA 0.361 55.651 55.300 -0.016 0.000 0.723 459 M CB -2.221 30.373 32.600 -0.011 0.000 2.547 459 M HN 0.420 8.697 8.290 -0.021 0.000 0.734 460 A N -3.464 119.335 122.820 -0.036 0.000 2.610 460 A HA 0.385 4.767 4.320 -0.033 -0.082 0.291 460 A C -2.002 175.557 177.584 -0.042 0.000 1.086 460 A CA -0.735 51.276 52.037 -0.043 0.000 0.677 460 A CB 3.407 22.368 19.000 -0.065 0.000 1.278 460 A HN -0.300 7.826 8.150 -0.039 0.000 0.414 461 C N -2.446 116.840 119.300 -0.024 0.000 2.365 461 C HA 0.339 4.807 4.460 0.021 0.005 0.374 461 C C 0.616 175.607 174.990 0.002 0.000 1.318 461 C CA -1.210 57.816 59.018 0.014 0.000 2.239 461 C CB 2.358 30.126 27.740 0.046 0.000 2.144 461 C HN 0.181 8.398 8.230 -0.021 0.000 0.581 462 F N 1.646 121.574 119.950 -0.036 0.000 2.186 462 F HA -0.249 4.253 4.527 -0.041 0.000 0.299 462 F C 0.953 176.738 175.800 -0.026 0.000 1.090 462 F CA 4.674 62.653 58.000 -0.035 0.000 1.307 462 F CB 0.105 39.083 39.000 -0.036 0.000 1.019 462 F HN 0.610 9.049 8.300 0.231 0.000 0.489 463 T N 2.027 116.695 114.554 0.189 0.000 2.737 463 T HA -0.386 4.045 4.350 0.135 0.000 0.265 463 T C 1.568 176.294 174.700 0.043 0.000 1.038 463 T CA 5.488 67.653 62.100 0.109 0.000 1.144 463 T CB -0.595 68.318 68.868 0.075 0.000 0.866 463 T HN -0.407 7.923 8.240 0.176 0.016 0.434 464 C N 2.196 121.502 119.300 0.010 0.000 2.367 464 C HA -0.373 4.076 4.460 -0.018 0.000 0.276 464 C C 2.169 177.128 174.990 -0.051 0.000 1.195 464 C CA 4.678 63.681 59.018 -0.025 0.000 1.756 464 C CB -2.097 25.619 27.740 -0.041 0.000 2.046 464 C HN -0.590 7.651 8.230 0.019 0.000 0.453 465 A N -1.083 121.681 122.820 -0.094 0.000 1.865 465 A HA -0.398 3.844 4.320 -0.130 0.000 0.217 465 A C 1.566 179.100 177.584 -0.083 0.000 1.191 465 A CA 3.339 55.291 52.037 -0.141 0.000 0.623 465 A CB -0.954 17.873 19.000 -0.289 0.000 0.826 465 A HN -0.271 7.817 8.150 -0.102 0.000 0.444 466 K N -1.475 118.912 120.400 -0.022 0.000 2.063 466 K HA -0.378 3.966 4.320 0.039 0.000 0.208 466 K C 1.929 178.543 176.600 0.024 0.000 1.048 466 K CA 3.348 59.662 56.287 0.046 0.000 0.928 466 K CB -0.177 32.409 32.500 0.143 0.000 0.713 466 K HN 0.030 8.166 8.250 -0.008 0.109 0.442 467 K N -0.838 119.570 120.400 0.014 0.000 2.009 467 K HA -0.292 4.036 4.320 0.013 0.000 0.210 467 K C 2.451 179.048 176.600 -0.005 0.000 1.049 467 K CA 3.343 59.633 56.287 0.006 0.000 0.929 467 K CB 0.025 32.526 32.500 0.002 0.000 0.714 467 K HN -0.151 8.108 8.250 0.016 0.000 0.440 468 L N -3.224 117.987 121.223 -0.020 0.000 2.141 468 L HA -0.216 4.113 4.340 -0.018 0.000 0.209 468 L C 1.610 178.470 176.870 -0.017 0.000 1.094 468 L CA 3.259 58.084 54.840 -0.024 0.000 0.763 468 L CB -0.546 41.488 42.059 -0.042 0.000 0.908 468 L HN -0.363 7.851 8.230 -0.028 0.000 0.437 469 K N 0.602 120.991 120.400 -0.018 0.000 1.985 469 K HA -0.296 4.019 4.320 -0.008 0.000 0.210 469 K C 2.736 179.339 176.600 0.004 0.000 1.047 469 K CA 2.852 59.135 56.287 -0.008 0.000 0.932 469 K CB -0.316 32.178 32.500 -0.009 0.000 0.716 469 K HN 0.264 8.499 8.250 -0.025 0.000 0.439 470 K N -1.452 118.954 120.400 0.010 0.000 2.147 470 K HA -0.209 4.120 4.320 0.014 0.000 0.205 470 K C 2.141 178.746 176.600 0.008 0.000 1.049 470 K CA 2.640 58.934 56.287 0.012 0.000 0.936 470 K CB -0.439 32.071 32.500 0.017 0.000 0.722 470 K HN -0.066 8.191 8.250 0.011 0.000 0.446 471 R N -3.487 117.016 120.500 0.004 0.000 2.323 471 R HA -0.039 4.303 4.340 0.003 0.000 0.198 471 R C -0.724 175.577 176.300 0.002 0.000 0.988 471 R CA -0.078 56.023 56.100 0.002 0.000 1.041 471 R CB -0.394 29.905 30.300 -0.001 0.000 0.926 471 R HN -0.635 7.617 8.270 0.003 0.019 0.476 472 N N -1.875 116.827 118.700 0.004 0.000 2.716 472 N HA -0.427 4.400 4.740 0.008 -0.082 0.250 472 N C -0.723 174.790 175.510 0.006 0.000 1.033 472 N CA 0.960 54.014 53.050 0.006 0.000 0.727 472 N CB -1.135 37.356 38.487 0.008 0.000 0.950 472 N HN -0.234 7.922 8.380 0.004 0.226 0.541 473 K N -0.299 120.103 120.400 0.002 0.000 2.379 473 K HA 0.164 4.484 4.320 -0.000 0.000 0.284 473 K C -1.978 174.628 176.600 0.010 0.000 1.044 473 K CA -1.538 54.749 56.287 0.000 0.000 0.974 473 K CB 0.898 33.392 32.500 -0.010 0.000 0.962 473 K HN 0.177 8.413 8.250 -0.001 0.013 0.474 474 P HA -0.032 4.552 4.420 0.035 -0.143 0.276 474 P C -0.871 176.440 177.300 0.019 0.000 1.253 474 P CA -1.013 62.098 63.100 0.020 0.000 0.766 474 P CB -0.162 31.543 31.700 0.008 0.000 0.845 475 C N 6.068 125.399 119.300 0.053 0.000 2.067 475 C HA -0.189 4.272 4.460 0.002 0.000 0.397 475 C C 0.258 175.248 174.990 0.000 0.000 1.545 475 C CA -0.369 58.677 59.018 0.048 0.000 1.460 475 C CB -0.051 27.813 27.740 0.208 0.000 2.591 475 C HN 0.248 8.442 8.230 0.092 0.091 0.585 476 P HA -0.084 4.321 4.420 -0.025 0.000 0.239 476 P C -1.388 175.903 177.300 -0.016 0.000 1.184 476 P CA 1.387 64.461 63.100 -0.043 0.000 0.760 476 P CB -0.179 31.480 31.700 -0.069 0.000 0.884 477 V N -3.790 116.136 119.914 0.019 0.000 3.161 477 V HA 0.121 4.272 4.120 0.052 0.000 0.221 477 V C 0.709 176.861 176.094 0.097 0.000 1.296 477 V CA 0.931 63.282 62.300 0.085 0.000 1.306 477 V CB 1.064 32.997 31.823 0.183 0.000 1.171 477 V HN -0.680 7.436 8.190 0.016 0.083 0.513 478 C N -1.867 117.524 119.300 0.152 0.000 2.481 478 C HA -0.009 4.461 4.460 0.016 0.000 0.275 478 C C 0.359 175.331 174.990 -0.030 0.000 1.419 478 C CA 0.167 59.209 59.018 0.039 0.000 1.773 478 C CB -0.050 27.680 27.740 -0.016 0.000 1.862 478 C HN -0.301 8.097 8.230 0.280 0.000 0.530 479 R N -5.740 114.762 120.500 0.002 0.000 4.016 479 R HA -0.459 4.030 4.340 0.004 -0.147 0.385 479 R C -1.187 175.096 176.300 -0.028 0.000 1.158 479 R CA 1.184 57.278 56.100 -0.010 0.000 1.117 479 R CB -3.085 27.207 30.300 -0.014 0.000 1.635 479 R HN -0.192 8.051 8.270 0.040 0.051 0.560 480 Q N -1.006 118.753 119.800 -0.069 0.000 2.288 480 Q HA 0.344 4.643 4.340 -0.068 0.000 0.254 480 Q C -1.579 174.448 176.000 0.044 0.000 0.932 480 Q CA -2.827 52.926 55.803 -0.084 0.000 0.902 480 Q CB 0.659 29.195 28.738 -0.336 0.000 1.203 480 Q HN -0.239 7.889 8.270 -0.094 0.085 0.415 481 P HA 0.007 4.460 4.420 0.055 0.000 0.276 481 P C -0.374 176.984 177.300 0.098 0.000 1.264 481 P CA -0.387 62.748 63.100 0.057 0.000 0.769 481 P CB -0.136 31.581 31.700 0.029 0.000 0.840 482 I N -0.400 120.233 120.570 0.105 0.000 2.754 482 I HA -0.169 4.103 4.170 0.169 0.000 0.285 482 I C -0.622 175.521 176.117 0.044 0.000 1.166 482 I CA 0.214 61.566 61.300 0.088 0.000 1.417 482 I CB 0.303 38.307 38.000 0.008 0.000 1.382 482 I HN -0.448 7.812 8.210 0.083 0.000 0.588 483 Q N 2.618 122.439 119.800 0.035 0.000 2.477 483 Q HA 0.089 4.443 4.340 0.024 0.000 0.252 483 Q C -0.156 175.845 176.000 0.001 0.000 0.869 483 Q CA 0.182 55.999 55.803 0.023 0.000 0.969 483 Q CB 2.095 30.856 28.738 0.039 0.000 1.144 483 Q HN -0.021 8.274 8.270 0.041 0.000 0.577 484 M N -1.768 117.816 119.600 -0.026 0.000 2.520 484 M HA 0.288 4.758 4.480 -0.016 0.000 0.283 484 M C -2.594 173.642 176.300 -0.106 0.000 1.237 484 M CA -0.014 55.263 55.300 -0.038 0.000 0.885 484 M CB 3.665 36.254 32.600 -0.017 0.000 1.727 484 M HN -0.715 7.552 8.290 -0.038 0.000 0.468 485 I N 1.855 122.348 120.570 -0.129 0.000 2.619 485 I HA 0.909 5.087 4.170 -0.342 -0.213 0.292 485 I C -0.978 175.035 176.117 -0.172 0.000 1.100 485 I CA -1.708 59.393 61.300 -0.331 0.000 1.043 485 I CB 2.779 40.366 38.000 -0.688 0.000 1.239 485 I HN 0.103 8.286 8.210 -0.045 0.000 0.420 486 V N -0.207 119.606 119.914 -0.169 0.000 3.049 486 V HA 0.468 4.774 4.120 0.310 0.000 0.309 486 V C -1.229 174.951 176.094 0.143 0.000 1.148 486 V CA -2.607 59.755 62.300 0.104 0.000 0.990 486 V CB 3.793 35.648 31.823 0.053 0.000 1.039 486 V HN 0.254 8.269 8.190 -0.291 0.000 0.430 487 L N 3.833 125.197 121.223 0.234 0.000 2.623 487 L HA 0.063 4.521 4.340 0.039 -0.094 0.281 487 L C -0.022 176.672 176.870 -0.292 0.000 1.150 487 L CA 0.143 54.958 54.840 -0.042 0.000 0.965 487 L CB -0.808 41.186 42.059 -0.108 0.000 1.303 487 L HN 0.438 8.822 8.230 0.258 0.000 0.467 488 T N 7.273 121.663 114.554 -0.273 0.000 3.016 488 T HA 0.063 4.370 4.350 -0.072 0.000 0.335 488 T C -1.251 173.353 174.700 -0.160 0.000 1.176 488 T CA -0.451 61.556 62.100 -0.156 0.000 0.987 488 T CB -0.005 68.826 68.868 -0.061 0.000 1.073 488 T HN -0.145 8.056 8.240 -0.191 -0.076 0.547 489 Y N 5.758 126.113 120.300 0.092 0.000 2.298 489 Y HA -0.128 4.505 4.550 0.139 0.000 0.329 489 Y C 0.877 176.854 175.900 0.128 0.000 1.293 489 Y CA 0.051 58.197 58.100 0.077 0.000 1.388 489 Y CB 0.507 38.946 38.460 -0.035 0.000 1.309 489 Y HN -0.086 8.238 8.280 0.074 0.000 0.544 490 F N -1.318 118.749 119.950 0.196 0.000 2.598 490 F HA 0.836 5.414 4.527 0.086 0.000 0.327 490 F C -2.136 173.714 175.800 0.083 0.000 1.057 490 F CA -2.856 55.207 58.000 0.105 0.000 0.957 490 F CB -0.859 38.185 39.000 0.073 0.000 1.278 490 F HN 0.168 8.454 8.300 -0.023 0.000 0.484 491 P HA 0.000 4.420 4.420 0.001 0.000 0.216 491 P CA 0.000 63.140 63.100 0.066 0.000 0.800 491 P CB 0.000 31.778 31.700 0.129 0.000 0.726