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 2l35_1_A DATA FIRST_RESID 1 DATA SEQUENCE CSTVSPGVLA GIVVGDLVLT VLIALAVYFL GRLGTAEVLG IISIVLVATV DATA SEQUENCE LKTIVLIPFL EQN 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 1 C HA 0.000 4.468 4.460 0.013 0.000 0.325 1 C C 0.000 174.997 174.990 0.012 0.000 1.270 1 C CA 0.000 59.025 59.018 0.011 0.000 1.963 1 C CB 0.000 27.746 27.740 0.010 0.000 2.134 2 S N 3.524 119.233 115.700 0.015 0.000 2.636 2 S HA 0.247 4.727 4.470 0.017 0.000 0.268 2 S C -2.191 172.424 174.600 0.024 0.000 1.159 2 S CA 0.044 58.254 58.200 0.017 0.000 0.815 2 S CB 1.576 64.784 63.200 0.013 0.000 1.130 2 S HN 0.152 8.472 8.310 0.017 0.000 0.471 3 T N 0.977 115.547 114.554 0.028 0.000 2.932 3 T HA 0.127 4.502 4.350 0.041 0.000 0.318 3 T C -1.491 173.231 174.700 0.036 0.000 1.265 3 T CA -0.028 62.097 62.100 0.040 0.000 1.036 3 T CB 0.626 69.528 68.868 0.057 0.000 1.209 3 T HN -0.248 8.006 8.240 0.023 0.000 0.484 4 V N -0.043 119.894 119.914 0.040 0.000 3.785 4 V HA -0.383 3.753 4.120 0.026 0.000 0.188 4 V C -1.423 174.684 176.094 0.022 0.000 0.550 4 V CA 1.261 63.581 62.300 0.033 0.000 0.989 4 V CB -0.776 31.075 31.823 0.047 0.000 1.081 4 V HN 0.234 8.451 8.190 0.044 0.000 1.045 5 S N -0.785 114.925 115.700 0.017 0.000 2.388 5 S HA 0.062 4.539 4.470 0.013 0.000 0.223 5 S C -0.155 174.449 174.600 0.008 0.000 1.034 5 S CA 1.395 59.603 58.200 0.012 0.000 0.963 5 S CB -0.402 62.804 63.200 0.011 0.000 0.827 5 S HN -0.244 8.031 8.310 0.018 0.045 0.481 6 P HA -0.143 4.278 4.420 0.001 0.000 0.216 6 P C 1.079 178.380 177.300 0.002 0.000 1.154 6 P CA 1.854 64.955 63.100 0.002 0.000 0.865 6 P CB 0.094 31.793 31.700 -0.001 0.000 0.789 7 G N -4.191 104.611 108.800 0.004 0.000 3.163 7 G HA2 -0.397 3.567 3.960 0.007 0.000 0.227 7 G HA3 -0.397 3.566 3.960 0.004 0.000 0.227 7 G C 1.436 176.336 174.900 0.001 0.000 1.300 7 G CA 1.692 46.794 45.100 0.004 0.000 0.867 7 G HN 0.185 8.470 8.290 0.006 0.008 0.533 8 V N 2.348 122.261 119.914 -0.001 0.000 2.380 8 V HA -0.429 3.690 4.120 -0.002 0.000 0.251 8 V C 1.766 177.857 176.094 -0.005 0.000 1.063 8 V CA 3.806 66.104 62.300 -0.003 0.000 1.055 8 V CB -0.152 31.669 31.823 -0.003 0.000 0.657 8 V HN 0.295 8.361 8.190 -0.000 0.123 0.455 9 L N -2.178 119.041 121.223 -0.006 0.000 2.042 9 L HA -0.391 3.941 4.340 -0.013 0.000 0.210 9 L C 1.719 178.584 176.870 -0.009 0.000 1.076 9 L CA 2.918 57.752 54.840 -0.011 0.000 0.749 9 L CB -0.948 41.102 42.059 -0.014 0.000 0.893 9 L HN -0.208 8.006 8.230 -0.005 0.014 0.432 10 A N -1.563 121.256 122.820 -0.003 0.000 1.940 10 A HA -0.291 4.029 4.320 0.000 0.000 0.219 10 A C 2.070 179.653 177.584 -0.002 0.000 1.176 10 A CA 3.031 55.068 52.037 0.000 0.000 0.631 10 A CB -1.145 17.858 19.000 0.005 0.000 0.814 10 A HN 0.192 8.218 8.150 -0.001 0.124 0.446 11 G N -3.105 105.694 108.800 -0.002 0.000 2.448 11 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.219 11 G HA3 -0.287 3.685 3.960 -0.003 -0.014 0.219 11 G C 1.068 175.965 174.900 -0.005 0.000 1.127 11 G CA 1.681 46.779 45.100 -0.003 0.000 0.766 11 G HN -0.178 7.981 8.290 -0.002 0.130 0.552 12 I N 2.257 122.823 120.570 -0.007 0.000 2.315 12 I HA -0.410 3.755 4.170 -0.009 0.000 0.248 12 I C 1.140 177.252 176.117 -0.009 0.000 1.117 12 I CA 2.649 63.943 61.300 -0.010 0.000 1.404 12 I CB 0.274 38.266 38.000 -0.014 0.000 1.071 12 I HN -0.312 7.712 8.210 -0.008 0.181 0.419 13 V N 0.537 120.445 119.914 -0.009 0.000 2.261 13 V HA -0.581 3.533 4.120 -0.009 0.000 0.246 13 V C 1.827 177.918 176.094 -0.004 0.000 1.047 13 V CA 4.938 67.234 62.300 -0.007 0.000 1.015 13 V CB -0.198 31.623 31.823 -0.003 0.000 0.642 13 V HN -0.612 7.472 8.190 -0.008 0.101 0.446 14 V N -0.540 119.372 119.914 -0.003 0.000 2.332 14 V HA -0.465 3.654 4.120 -0.002 0.000 0.248 14 V C 2.046 178.139 176.094 -0.003 0.000 1.055 14 V CA 4.362 66.661 62.300 -0.002 0.000 1.038 14 V CB -0.916 30.906 31.823 -0.001 0.000 0.651 14 V HN -0.224 7.965 8.190 -0.002 0.000 0.450 15 G N -1.545 107.253 108.800 -0.004 0.000 2.442 15 G HA2 -0.432 3.526 3.960 -0.004 0.000 0.219 15 G HA3 -0.432 3.525 3.960 -0.005 0.000 0.219 15 G C 0.936 175.833 174.900 -0.004 0.000 1.141 15 G CA 2.210 47.308 45.100 -0.004 0.000 0.763 15 G HN 0.155 8.336 8.290 -0.004 0.107 0.554 16 D N 2.286 122.682 120.400 -0.005 0.000 2.097 16 D HA -0.171 4.467 4.640 -0.005 0.000 0.197 16 D C 1.817 178.115 176.300 -0.003 0.000 0.984 16 D CA 2.639 56.636 54.000 -0.005 0.000 0.826 16 D CB 0.012 40.808 40.800 -0.007 0.000 0.973 16 D HN -0.370 7.894 8.370 -0.006 0.102 0.460 17 L N -0.042 121.179 121.223 -0.003 0.000 1.989 17 L HA -0.290 4.049 4.340 -0.003 0.000 0.211 17 L C 1.973 178.841 176.870 -0.003 0.000 1.071 17 L CA 3.241 58.080 54.840 -0.003 0.000 0.749 17 L CB 0.004 42.062 42.059 -0.003 0.000 0.890 17 L HN -0.435 7.793 8.230 -0.004 0.000 0.431 18 V N -3.627 116.285 119.914 -0.003 0.000 2.626 18 V HA -0.374 3.744 4.120 -0.004 0.000 0.252 18 V C 1.833 177.926 176.094 -0.001 0.000 1.067 18 V CA 3.521 65.820 62.300 -0.003 0.000 1.081 18 V CB -1.302 30.519 31.823 -0.003 0.000 0.686 18 V HN -0.285 7.903 8.190 -0.003 0.000 0.468 19 L N 1.958 123.181 121.223 -0.001 0.000 1.976 19 L HA -0.312 4.028 4.340 0.000 0.000 0.209 19 L C 2.113 178.985 176.870 0.003 0.000 1.071 19 L CA 3.695 58.535 54.840 0.000 0.000 0.746 19 L CB -1.649 40.410 42.059 -0.001 0.000 0.890 19 L HN -0.068 8.029 8.230 -0.002 0.132 0.432 20 T N 1.298 115.854 114.554 0.003 0.000 2.720 20 T HA -0.407 3.948 4.350 0.009 0.000 0.268 20 T C 2.510 177.215 174.700 0.007 0.000 1.037 20 T CA 5.263 67.367 62.100 0.006 0.000 1.144 20 T CB -0.448 68.423 68.868 0.004 0.000 0.864 20 T HN -0.350 7.890 8.240 0.001 0.000 0.444 21 V N 1.272 121.187 119.914 0.001 0.000 2.427 21 V HA -0.460 3.656 4.120 -0.006 0.000 0.248 21 V C 1.752 177.851 176.094 0.007 0.000 1.051 21 V CA 4.146 66.444 62.300 -0.002 0.000 1.048 21 V CB -0.286 31.532 31.823 -0.009 0.000 0.666 21 V HN -0.434 7.756 8.190 -0.001 0.000 0.456 22 L N 0.490 121.718 121.223 0.008 0.000 2.005 22 L HA -0.283 4.065 4.340 0.013 0.000 0.207 22 L C 2.222 179.105 176.870 0.022 0.000 1.072 22 L CA 3.349 58.196 54.840 0.012 0.000 0.744 22 L CB -0.852 41.210 42.059 0.004 0.000 0.895 22 L HN -0.008 8.040 8.230 0.005 0.185 0.433 23 I N -1.942 118.640 120.570 0.021 0.000 2.252 23 I HA -0.448 3.738 4.170 0.026 0.000 0.245 23 I C 2.002 178.149 176.117 0.050 0.000 1.102 23 I CA 2.082 63.399 61.300 0.029 0.000 1.385 23 I CB -2.009 36.004 38.000 0.021 0.000 1.064 23 I HN -0.269 7.950 8.210 0.015 0.000 0.414 24 A N -0.224 122.625 122.820 0.048 0.000 1.940 24 A HA -0.263 4.103 4.320 0.077 0.000 0.219 24 A C 2.211 179.862 177.584 0.112 0.000 1.176 24 A CA 3.201 55.279 52.037 0.069 0.000 0.631 24 A CB -0.866 18.160 19.000 0.042 0.000 0.814 24 A HN 0.012 8.182 8.150 0.033 0.000 0.446 25 L N -1.341 119.934 121.223 0.087 0.000 2.141 25 L HA -0.261 4.162 4.340 0.138 0.000 0.209 25 L C 1.640 178.631 176.870 0.202 0.000 1.094 25 L CA 2.187 57.104 54.840 0.128 0.000 0.763 25 L CB -0.677 41.425 42.059 0.072 0.000 0.908 25 L HN -0.314 7.757 8.230 0.054 0.192 0.437 26 A N -0.727 122.170 122.820 0.129 0.000 1.865 26 A HA -0.288 4.087 4.320 0.090 0.000 0.217 26 A C 2.179 179.863 177.584 0.166 0.000 1.191 26 A CA 3.399 55.502 52.037 0.110 0.000 0.623 26 A CB -0.892 18.135 19.000 0.045 0.000 0.826 26 A HN -0.118 7.965 8.150 0.089 0.119 0.444 27 V N -4.054 115.946 119.914 0.144 0.000 2.427 27 V HA -0.379 3.804 4.120 0.106 0.000 0.248 27 V C 1.401 177.589 176.094 0.157 0.000 1.051 27 V CA 3.243 65.620 62.300 0.129 0.000 1.048 27 V CB -1.417 30.463 31.823 0.094 0.000 0.666 27 V HN -0.405 7.859 8.190 0.123 0.000 0.456 28 Y N 1.050 121.402 120.300 0.087 0.000 2.274 28 Y HA -0.445 4.128 4.550 0.038 0.000 0.290 28 Y C 0.655 176.603 175.900 0.080 0.000 1.145 28 Y CA 3.839 61.978 58.100 0.066 0.000 1.203 28 Y CB -0.032 38.460 38.460 0.053 0.000 0.984 28 Y HN -0.493 7.973 8.280 0.310 0.000 0.533 29 F N -2.202 117.844 119.950 0.160 0.000 2.069 29 F HA -0.423 4.195 4.527 0.152 0.000 0.298 29 F C 1.315 177.101 175.800 -0.024 0.000 1.113 29 F CA 3.170 61.224 58.000 0.089 0.000 1.214 29 F CB 0.442 39.489 39.000 0.078 0.000 0.978 29 F HN -0.446 8.018 8.300 0.461 0.112 0.474 30 L N -2.641 118.721 121.223 0.231 0.000 2.056 30 L HA -0.158 4.263 4.340 0.135 0.000 0.207 30 L C 0.857 177.670 176.870 -0.094 0.000 1.078 30 L CA 1.184 56.081 54.840 0.095 0.000 0.749 30 L CB 0.249 42.378 42.059 0.116 0.000 0.901 30 L HN -0.896 7.519 8.230 0.308 0.000 0.433 31 G N -2.308 106.398 108.800 -0.157 0.000 2.380 31 G HA2 -0.161 3.702 3.960 -0.162 0.000 0.242 31 G HA3 -0.161 3.631 3.960 -0.280 0.000 0.242 31 G C -2.496 172.178 174.900 -0.377 0.000 1.298 31 G CA 0.275 45.226 45.100 -0.248 0.000 0.878 31 G HN -0.601 7.627 8.290 -0.104 0.000 0.542 32 R N 5.467 125.807 120.500 -0.267 0.000 2.857 32 R HA 0.033 4.184 4.340 -0.315 0.000 0.216 32 R C -0.921 175.289 176.300 -0.151 0.000 1.555 32 R CA -0.271 55.683 56.100 -0.244 0.000 1.408 32 R CB 0.341 30.513 30.300 -0.213 0.000 1.553 32 R HN 0.200 8.354 8.270 -0.194 0.000 0.708 33 L N -0.344 120.797 121.223 -0.136 0.000 3.460 33 L HA -0.274 4.024 4.340 -0.070 0.000 0.626 33 L C -0.096 176.734 176.870 -0.067 0.000 1.036 33 L CA 0.707 55.498 54.840 -0.081 0.000 1.167 33 L CB -0.799 41.224 42.059 -0.060 0.000 1.331 33 L HN 0.200 8.326 8.230 -0.173 0.000 0.754 34 G N 0.429 109.193 108.800 -0.060 0.000 3.845 34 G HA2 -0.160 3.778 3.960 -0.037 0.000 0.198 34 G HA3 -0.160 3.771 3.960 -0.049 0.000 0.198 34 G C 0.496 175.372 174.900 -0.040 0.000 0.890 34 G CA 0.564 45.637 45.100 -0.046 0.000 0.885 34 G HN 0.369 8.622 8.290 -0.063 0.000 0.407 35 T N 0.381 114.906 114.554 -0.049 0.000 3.035 35 T HA 0.307 4.639 4.350 -0.030 0.000 0.268 35 T C 0.882 175.565 174.700 -0.028 0.000 1.109 35 T CA 1.548 63.625 62.100 -0.038 0.000 1.119 35 T CB 0.616 69.457 68.868 -0.045 0.000 0.900 35 T HN 0.345 8.546 8.240 -0.066 0.000 0.503 36 A N 0.923 123.725 122.820 -0.030 0.000 6.890 36 A HA -0.283 4.025 4.320 -0.020 0.000 0.242 36 A C -0.582 176.993 177.584 -0.014 0.000 2.184 36 A CA 0.332 52.357 52.037 -0.020 0.000 0.705 36 A CB -0.083 18.909 19.000 -0.014 0.000 0.983 36 A HN -0.410 7.675 8.150 -0.039 0.042 0.384 37 E N -5.450 114.746 120.200 -0.007 0.000 2.971 37 E HA -0.329 4.022 4.350 0.001 0.000 0.271 37 E C 1.024 177.625 176.600 0.002 0.000 1.053 37 E CA 0.966 57.365 56.400 -0.001 0.000 0.817 37 E CB -2.025 27.674 29.700 -0.001 0.000 1.410 37 E HN 0.180 8.536 8.360 -0.006 0.000 0.445 38 V N -4.069 115.843 119.914 -0.002 0.000 2.568 38 V HA -0.319 3.802 4.120 0.002 0.000 0.253 38 V C 1.454 177.562 176.094 0.024 0.000 1.072 38 V CA 2.801 65.104 62.300 0.005 0.000 1.084 38 V CB -0.776 31.043 31.823 -0.008 0.000 0.676 38 V HN 0.006 8.114 8.190 -0.008 0.077 0.469 39 L N 0.389 121.624 121.223 0.020 0.000 2.197 39 L HA -0.267 4.090 4.340 0.030 0.000 0.215 39 L C 1.634 178.520 176.870 0.026 0.000 1.095 39 L CA 2.426 57.280 54.840 0.024 0.000 0.764 39 L CB -0.992 41.077 42.059 0.016 0.000 0.897 39 L HN -0.097 8.105 8.230 0.013 0.035 0.436 40 G N -1.456 107.358 108.800 0.023 0.000 2.446 40 G HA2 -0.423 3.550 3.960 0.020 0.000 0.217 40 G HA3 -0.423 3.550 3.960 0.021 0.000 0.217 40 G C 0.930 175.850 174.900 0.033 0.000 1.168 40 G CA 2.356 47.470 45.100 0.024 0.000 0.771 40 G HN -0.125 8.033 8.290 0.019 0.143 0.551 41 I N 2.445 123.043 120.570 0.046 0.000 2.208 41 I HA -0.437 3.768 4.170 0.059 0.000 0.245 41 I C 1.916 178.069 176.117 0.059 0.000 1.097 41 I CA 2.722 64.062 61.300 0.066 0.000 1.363 41 I CB -0.197 37.867 38.000 0.108 0.000 1.051 41 I HN -0.308 7.846 8.210 0.044 0.083 0.413 42 I N -1.211 119.392 120.570 0.055 0.000 2.226 42 I HA -0.555 3.641 4.170 0.043 0.000 0.245 42 I C 1.974 178.108 176.117 0.028 0.000 1.100 42 I CA 3.441 64.766 61.300 0.042 0.000 1.374 42 I CB -0.647 37.377 38.000 0.040 0.000 1.057 42 I HN -0.746 7.406 8.210 0.056 0.092 0.413 43 S N 0.627 116.342 115.700 0.026 0.000 2.353 43 S HA -0.340 4.140 4.470 0.017 0.000 0.222 43 S C 2.432 177.042 174.600 0.018 0.000 1.035 43 S CA 4.163 62.375 58.200 0.019 0.000 1.025 43 S CB -0.119 63.091 63.200 0.017 0.000 0.902 43 S HN -0.184 8.060 8.310 0.029 0.084 0.440 44 I N -1.946 118.636 120.570 0.021 0.000 2.286 44 I HA -0.386 3.793 4.170 0.015 0.000 0.248 44 I C 1.610 177.737 176.117 0.017 0.000 1.115 44 I CA 3.478 64.789 61.300 0.019 0.000 1.392 44 I CB -0.480 37.533 38.000 0.022 0.000 1.065 44 I HN -0.292 7.933 8.210 0.025 0.000 0.418 45 V N 0.555 120.481 119.914 0.019 0.000 2.490 45 V HA -0.492 3.634 4.120 0.011 0.000 0.250 45 V C 2.068 178.167 176.094 0.009 0.000 1.061 45 V CA 3.928 66.236 62.300 0.013 0.000 1.064 45 V CB -0.327 31.503 31.823 0.012 0.000 0.670 45 V HN -0.440 7.765 8.190 0.025 0.000 0.461 46 L N -0.286 120.943 121.223 0.011 0.000 2.044 46 L HA -0.212 4.132 4.340 0.007 0.000 0.205 46 L C 2.137 179.012 176.870 0.008 0.000 1.075 46 L CA 3.198 58.043 54.840 0.009 0.000 0.747 46 L CB -1.192 40.873 42.059 0.010 0.000 0.903 46 L HN -0.251 7.860 8.230 0.014 0.128 0.435 47 V N -0.522 119.397 119.914 0.008 0.000 2.515 47 V HA -0.413 3.712 4.120 0.007 0.000 0.250 47 V C 1.711 177.809 176.094 0.006 0.000 1.058 47 V CA 2.960 65.265 62.300 0.007 0.000 1.064 47 V CB -0.726 31.101 31.823 0.007 0.000 0.675 47 V HN -0.164 8.032 8.190 0.010 0.000 0.461 48 A N -0.032 122.791 122.820 0.006 0.000 1.854 48 A HA -0.301 4.020 4.320 0.003 0.000 0.214 48 A C 1.676 179.262 177.584 0.003 0.000 1.192 48 A CA 3.474 55.513 52.037 0.004 0.000 0.611 48 A CB -0.491 18.512 19.000 0.004 0.000 0.832 48 A HN -0.185 7.949 8.150 0.007 0.020 0.442 49 T N 1.500 116.056 114.554 0.003 0.000 2.684 49 T HA -0.392 3.959 4.350 0.001 0.000 0.267 49 T C 1.961 176.663 174.700 0.004 0.000 1.036 49 T CA 5.166 67.267 62.100 0.002 0.000 1.148 49 T CB 0.089 68.958 68.868 0.001 0.000 0.863 49 T HN -0.489 7.753 8.240 0.003 0.000 0.436 50 V N -0.623 119.295 119.914 0.005 0.000 2.667 50 V HA -0.317 3.808 4.120 0.008 0.000 0.252 50 V C 1.362 177.461 176.094 0.008 0.000 1.065 50 V CA 3.385 65.690 62.300 0.007 0.000 1.083 50 V CB -0.318 31.509 31.823 0.007 0.000 0.692 50 V HN -0.423 7.770 8.190 0.005 0.000 0.468 51 L N 1.552 122.778 121.223 0.006 0.000 1.988 51 L HA -0.291 4.053 4.340 0.006 0.000 0.207 51 L C 1.613 178.486 176.870 0.005 0.000 1.071 51 L CA 3.376 58.219 54.840 0.005 0.000 0.744 51 L CB -0.516 41.544 42.059 0.002 0.000 0.893 51 L HN -0.318 7.800 8.230 0.005 0.115 0.433 52 K N -1.739 118.663 120.400 0.003 0.000 2.026 52 K HA -0.326 3.993 4.320 -0.001 0.000 0.208 52 K C 2.728 179.334 176.600 0.010 0.000 1.048 52 K CA 3.704 59.993 56.287 0.003 0.000 0.929 52 K CB -0.458 32.042 32.500 0.001 0.000 0.713 52 K HN -0.276 7.976 8.250 0.002 0.000 0.439 53 T N 3.124 117.684 114.554 0.011 0.000 2.708 53 T HA -0.358 4.002 4.350 0.017 0.000 0.266 53 T C 2.148 176.861 174.700 0.022 0.000 1.037 53 T CA 4.580 66.689 62.100 0.015 0.000 1.146 53 T CB -0.099 68.776 68.868 0.011 0.000 0.865 53 T HN -0.324 7.920 8.240 0.008 0.000 0.435 54 I N 0.054 120.637 120.570 0.021 0.000 2.286 54 I HA -0.309 3.878 4.170 0.028 0.000 0.245 54 I C 1.117 177.258 176.117 0.040 0.000 1.104 54 I CA 3.589 64.905 61.300 0.027 0.000 1.397 54 I CB 0.093 38.106 38.000 0.021 0.000 1.072 54 I HN -0.095 8.009 8.210 0.016 0.116 0.417 55 V N -3.745 116.189 119.914 0.033 0.000 2.591 55 V HA -0.172 3.983 4.120 0.058 0.000 0.249 55 V C 1.214 177.345 176.094 0.062 0.000 1.053 55 V CA 2.745 65.069 62.300 0.040 0.000 1.068 55 V CB 0.117 31.945 31.823 0.007 0.000 0.689 55 V HN -0.371 7.832 8.190 0.022 0.000 0.462 56 L N -0.350 120.902 121.223 0.048 0.000 2.095 56 L HA -0.134 4.244 4.340 0.063 0.000 0.204 56 L C 1.619 178.547 176.870 0.096 0.000 1.080 56 L CA 2.919 57.797 54.840 0.063 0.000 0.759 56 L CB 0.647 42.725 42.059 0.033 0.000 0.914 56 L HN -0.334 7.915 8.230 0.033 0.000 0.439 57 I N -0.225 120.387 120.570 0.070 0.000 2.090 57 I HA -0.297 3.907 4.170 0.056 0.000 0.236 57 I C -1.280 174.880 176.117 0.071 0.000 1.064 57 I CA 6.386 67.722 61.300 0.060 0.000 1.324 57 I CB -2.719 35.303 38.000 0.037 0.000 1.044 57 I HN -0.259 7.983 8.210 0.054 0.000 0.399 58 P HA -0.261 4.168 4.420 0.015 0.000 0.218 58 P C -0.260 177.065 177.300 0.042 0.000 1.146 58 P CA 2.492 65.622 63.100 0.050 0.000 0.820 58 P CB -0.365 31.373 31.700 0.063 0.000 0.778 59 F N -4.465 115.484 119.950 -0.000 0.000 2.202 59 F HA -0.119 4.407 4.527 -0.000 0.000 0.279 59 F C 1.394 177.194 175.800 -0.000 0.000 1.077 59 F CA 2.377 60.377 58.000 -0.000 0.000 1.193 59 F CB 0.941 39.941 39.000 -0.000 0.000 1.090 59 F HN -0.996 7.414 8.300 0.253 0.042 0.516 60 L N -3.755 117.618 121.223 0.249 0.000 2.349 60 L HA -0.246 4.191 4.340 0.162 0.000 0.220 60 L C 0.262 177.166 176.870 0.057 0.000 1.130 60 L CA 1.537 56.461 54.840 0.139 0.000 0.791 60 L CB -0.535 41.586 42.059 0.103 0.000 0.918 60 L HN -0.241 8.155 8.230 0.276 0.000 0.444 61 E N -0.237 119.983 120.200 0.033 0.000 2.338 61 E HA -0.092 4.263 4.350 0.008 0.000 0.272 61 E C -0.215 176.365 176.600 -0.033 0.000 1.029 61 E CA -0.500 55.900 56.400 0.001 0.000 0.872 61 E CB 1.026 30.726 29.700 -0.001 0.000 1.015 61 E HN -0.055 8.190 8.360 0.053 0.147 0.417 62 Q N 4.160 123.944 119.800 -0.026 0.000 2.465 62 Q HA -0.136 4.176 4.340 -0.047 0.000 0.237 62 Q C 0.280 176.250 176.000 -0.049 0.000 1.288 62 Q CA 0.684 56.465 55.803 -0.038 0.000 0.888 62 Q CB -1.951 26.773 28.738 -0.023 0.000 1.570 62 Q HN 0.370 8.631 8.270 -0.014 0.000 0.532 63 N N 0.000 118.653 118.700 -0.078 0.000 1.763 63 N HA 0.000 4.675 4.740 -0.108 0.000 0.220 63 N CA 0.000 53.003 53.050 -0.079 0.000 0.885 63 N CB 0.000 38.450 38.487 -0.061 0.000 1.341 63 N HN 0.000 8.302 8.380 -0.104 0.016 0.667