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 1nyf_1_A DATA FIRST_RESID 84 DATA SEQUENCE VTLFVALYDY EARTEDDLSF HKGEKFQILN SSEGDWWEAR SLTTGETGYI DATA SEQUENCE PSNYVAPV 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 84 V HA 0.000 4.133 4.120 0.022 0.000 0.244 84 V C 0.000 176.120 176.094 0.043 0.000 1.182 84 V CA 0.000 62.311 62.300 0.018 0.000 1.235 84 V CB 0.000 31.823 31.823 0.000 0.000 1.184 85 T N 1.604 116.212 114.554 0.089 0.000 3.428 85 T HA 0.162 4.602 4.350 0.150 0.000 0.301 85 T C -1.389 173.488 174.700 0.296 0.000 1.323 85 T CA -0.767 61.469 62.100 0.227 0.000 1.647 85 T CB 0.685 69.741 68.868 0.313 0.000 0.871 85 T HN 0.031 8.318 8.240 0.079 0.000 0.627 86 L N 3.997 125.258 121.223 0.064 0.000 2.265 86 L HA 0.355 4.941 4.340 0.197 -0.128 0.288 86 L C -1.715 175.129 176.870 -0.042 0.000 1.058 86 L CA -0.266 54.622 54.840 0.080 0.000 0.809 86 L CB -0.115 41.934 42.059 -0.017 0.000 1.179 86 L HN -0.042 8.159 8.230 -0.048 0.000 0.429 87 F N 4.271 124.265 119.950 0.073 0.000 2.575 87 F HA 0.718 5.452 4.527 0.075 -0.162 0.330 87 F C -0.994 174.864 175.800 0.097 0.000 1.056 87 F CA -1.673 56.386 58.000 0.099 0.000 0.964 87 F CB 4.058 43.154 39.000 0.159 0.000 1.258 87 F HN 0.421 9.022 8.300 0.501 0.000 0.484 88 V N -1.994 118.064 119.914 0.241 0.000 2.914 88 V HA 0.682 5.069 4.120 0.154 -0.175 0.314 88 V C -1.002 175.192 176.094 0.167 0.000 1.084 88 V CA -3.540 58.852 62.300 0.152 0.000 0.963 88 V CB 3.143 34.989 31.823 0.039 0.000 1.025 88 V HN 0.282 8.611 8.190 0.232 0.000 0.432 89 A N 3.110 126.038 122.820 0.179 0.000 2.350 89 A HA 0.600 5.299 4.320 0.188 -0.266 0.293 89 A C 0.752 178.342 177.584 0.009 0.000 1.231 89 A CA -1.408 50.749 52.037 0.200 0.000 0.883 89 A CB 0.164 19.430 19.000 0.444 0.000 1.133 89 A HN -0.092 8.164 8.150 0.177 0.000 0.533 90 L N 3.820 124.889 121.223 -0.258 0.000 2.465 90 L HA -0.194 3.839 4.340 -0.511 0.000 0.224 90 L C -0.388 175.726 176.870 -1.260 0.000 1.145 90 L CA 2.252 56.594 54.840 -0.830 0.000 0.834 90 L CB 0.131 41.472 42.059 -1.197 0.000 0.944 90 L HN 0.163 8.294 8.230 -0.164 0.000 0.451 91 Y N -5.988 114.309 120.300 -0.004 0.000 2.638 91 Y HA 0.056 4.622 4.550 0.028 0.000 0.335 91 Y C -1.473 174.551 175.900 0.206 0.000 1.155 91 Y CA -2.877 55.210 58.100 -0.022 0.000 1.046 91 Y CB 3.107 41.356 38.460 -0.350 0.000 1.303 91 Y HN -0.678 7.465 8.280 -0.137 0.055 0.460 92 D N -1.167 119.441 120.400 0.347 0.000 2.339 92 D HA -0.145 4.689 4.640 0.254 -0.041 0.245 92 D C -1.709 174.702 176.300 0.185 0.000 1.115 92 D CA 0.366 54.499 54.000 0.222 0.000 0.917 92 D CB 0.391 41.290 40.800 0.165 0.000 1.192 92 D HN 0.025 8.585 8.370 0.318 0.000 0.428 93 Y N 0.564 120.613 120.300 -0.418 0.000 2.457 93 Y HA 0.217 4.698 4.550 -0.115 0.000 0.343 93 Y C -1.952 173.670 175.900 -0.463 0.000 0.994 93 Y CA -1.060 56.791 58.100 -0.416 0.000 1.031 93 Y CB 4.247 42.324 38.460 -0.638 0.000 1.246 93 Y HN -0.081 7.855 8.280 -0.573 0.000 0.449 94 E N 7.472 127.028 120.200 -1.074 0.000 2.070 94 E HA 0.207 4.192 4.350 -0.608 0.000 0.261 94 E C -1.963 174.017 176.600 -1.033 0.000 0.926 94 E CA -1.716 54.203 56.400 -0.802 0.000 0.760 94 E CB 1.277 30.723 29.700 -0.423 0.000 1.133 94 E HN 0.300 8.064 8.360 -0.994 0.000 0.420 95 A N 4.018 126.349 122.820 -0.814 0.000 2.573 95 A HA -0.196 3.916 4.320 -0.346 0.000 0.250 95 A C 0.297 177.722 177.584 -0.264 0.000 1.049 95 A CA 1.335 53.133 52.037 -0.398 0.000 0.767 95 A CB 0.067 19.019 19.000 -0.080 0.000 0.965 95 A HN 0.449 8.226 8.150 -0.622 0.000 0.514 96 R N 1.698 122.094 120.500 -0.174 0.000 2.397 96 R HA 0.066 4.331 4.340 -0.124 0.000 0.241 96 R C 0.235 176.487 176.300 -0.080 0.000 0.914 96 R CA 0.320 56.351 56.100 -0.114 0.000 1.071 96 R CB 0.543 30.795 30.300 -0.080 0.000 1.116 96 R HN 0.640 8.849 8.270 -0.101 0.000 0.524 97 T N -0.831 113.677 114.554 -0.078 0.000 2.887 97 T HA 0.172 4.478 4.350 -0.073 0.000 0.292 97 T C -0.293 174.375 174.700 -0.053 0.000 1.087 97 T CA -2.484 59.566 62.100 -0.083 0.000 1.009 97 T CB 1.662 70.444 68.868 -0.142 0.000 1.203 97 T HN -0.866 7.282 8.240 -0.067 0.052 0.518 98 E N 0.261 120.433 120.200 -0.046 0.000 2.463 98 E HA 0.006 4.356 4.350 0.000 0.000 0.191 98 E C -0.543 176.062 176.600 0.009 0.000 1.083 98 E CA 0.841 57.234 56.400 -0.012 0.000 0.872 98 E CB -0.192 29.501 29.700 -0.012 0.000 0.966 98 E HN 0.340 8.664 8.360 -0.059 0.000 0.491 99 D N -2.993 117.397 120.400 -0.017 0.000 2.454 99 D HA 0.119 4.834 4.640 0.124 0.000 0.219 99 D C -1.070 175.312 176.300 0.137 0.000 1.081 99 D CA 1.071 55.098 54.000 0.044 0.000 0.867 99 D CB 1.938 42.660 40.800 -0.130 0.000 1.054 99 D HN -0.458 7.768 8.370 -0.066 0.104 0.500 100 D N -1.032 119.399 120.400 0.051 0.000 2.437 100 D HA 0.401 5.399 4.640 0.242 -0.213 0.259 100 D C -0.594 175.841 176.300 0.226 0.000 1.118 100 D CA -0.491 53.613 54.000 0.173 0.000 1.017 100 D CB 2.008 42.923 40.800 0.192 0.000 1.120 100 D HN -0.942 7.418 8.370 -0.017 0.000 0.541 101 L N -2.444 118.981 121.223 0.337 0.000 2.286 101 L HA 0.231 4.705 4.340 0.223 0.000 0.265 101 L C -1.431 175.630 176.870 0.319 0.000 1.012 101 L CA -0.982 54.050 54.840 0.319 0.000 0.818 101 L CB 2.658 44.937 42.059 0.367 0.000 1.337 101 L HN -0.348 8.141 8.230 0.432 0.000 0.438 102 S N -1.201 114.644 115.700 0.242 0.000 2.526 102 S HA 0.487 4.892 4.470 -0.332 -0.134 0.293 102 S C -1.202 173.492 174.600 0.157 0.000 1.092 102 S CA -1.065 57.106 58.200 -0.048 0.000 0.980 102 S CB 2.718 65.847 63.200 -0.119 0.000 1.048 102 S HN -0.177 8.306 8.310 0.289 0.000 0.483 103 F N -1.657 118.348 119.950 0.091 0.000 3.397 103 F HA 0.300 4.905 4.527 0.130 0.000 0.327 103 F C -3.102 172.624 175.800 -0.122 0.000 1.143 103 F CA -1.075 57.006 58.000 0.136 0.000 0.864 103 F CB 0.647 39.944 39.000 0.496 0.000 1.530 103 F HN 0.278 8.035 8.300 -0.905 0.000 0.498 104 H N -1.726 117.684 119.070 0.567 0.000 2.797 104 H HA 0.265 4.985 4.556 0.272 0.000 0.372 104 H C -1.346 174.240 175.328 0.430 0.000 1.168 104 H CA -1.384 54.882 56.048 0.363 0.000 1.163 104 H CB 3.533 33.421 29.762 0.210 0.000 1.778 104 H HN 0.158 8.872 8.280 0.723 0.000 0.551 105 K N 3.524 124.183 120.400 0.431 0.000 2.466 105 K HA -0.604 4.071 4.320 0.297 -0.176 0.278 105 K C 0.711 177.431 176.600 0.200 0.000 1.048 105 K CA 1.743 58.195 56.287 0.274 0.000 1.088 105 K CB -0.524 32.069 32.500 0.155 0.000 0.884 105 K HN 0.541 9.031 8.250 0.400 0.000 0.478 106 G N 6.148 115.038 108.800 0.150 0.000 2.229 106 G HA2 -0.311 3.672 3.960 0.037 0.000 0.189 106 G HA3 -0.311 3.697 3.960 0.078 0.000 0.189 106 G C -0.800 174.129 174.900 0.049 0.000 1.000 106 G CA -0.531 44.615 45.100 0.078 0.000 0.663 106 G HN 0.296 8.683 8.290 0.161 0.000 0.493 107 E N 0.794 121.043 120.200 0.082 0.000 2.349 107 E HA 0.035 4.316 4.350 -0.115 0.000 0.262 107 E C -0.964 175.443 176.600 -0.322 0.000 1.088 107 E CA 0.059 56.385 56.400 -0.122 0.000 0.899 107 E CB 1.417 31.055 29.700 -0.104 0.000 1.044 107 E HN -0.492 7.938 8.360 0.209 0.056 0.420 108 K N -1.121 118.967 120.400 -0.520 0.000 2.123 108 K HA 0.798 5.152 4.320 -0.182 -0.143 0.248 108 K C -0.360 175.737 176.600 -0.839 0.000 0.969 108 K CA -2.001 54.037 56.287 -0.416 0.000 0.882 108 K CB 1.874 34.239 32.500 -0.226 0.000 1.080 108 K HN 0.343 8.297 8.250 -0.494 0.000 0.441 109 F N -1.675 118.268 119.950 -0.013 0.000 2.619 109 F HA 0.222 4.865 4.527 -0.038 -0.138 0.308 109 F C -1.609 174.227 175.800 0.060 0.000 1.097 109 F CA -0.593 57.397 58.000 -0.017 0.000 0.953 109 F CB 4.879 43.831 39.000 -0.079 0.000 1.287 109 F HN 0.166 8.516 8.300 0.082 0.000 0.446 110 Q N 1.886 121.822 119.800 0.227 0.000 2.466 110 Q HA 0.410 5.004 4.340 0.192 -0.139 0.242 110 Q C -0.484 175.572 176.000 0.092 0.000 1.046 110 Q CA -1.103 54.791 55.803 0.151 0.000 0.841 110 Q CB 1.171 29.958 28.738 0.081 0.000 1.193 110 Q HN 0.071 8.545 8.270 0.236 -0.062 0.508 111 I N 5.649 126.255 120.570 0.060 0.000 2.581 111 I HA -0.241 4.006 4.170 -0.116 -0.147 0.285 111 I C -0.224 175.816 176.117 -0.128 0.000 1.129 111 I CA 0.114 61.331 61.300 -0.137 0.000 1.397 111 I CB -2.019 35.703 38.000 -0.464 0.000 1.399 111 I HN -0.133 8.188 8.210 0.185 0.000 0.537 112 L N 6.251 127.395 121.223 -0.131 0.000 2.500 112 L HA 0.157 4.446 4.340 -0.086 0.000 0.219 112 L C 0.277 177.056 176.870 -0.152 0.000 1.057 112 L CA 0.517 55.292 54.840 -0.109 0.000 0.854 112 L CB 0.571 42.587 42.059 -0.072 0.000 1.078 112 L HN 0.085 8.238 8.230 -0.129 0.000 0.480 113 N N -0.827 117.757 118.700 -0.193 0.000 2.581 113 N HA 0.215 4.832 4.740 -0.204 0.000 0.279 113 N C -0.741 174.563 175.510 -0.344 0.000 1.124 113 N CA 0.098 53.029 53.050 -0.198 0.000 0.833 113 N CB 1.421 39.865 38.487 -0.073 0.000 1.338 113 N HN -0.859 7.407 8.380 -0.190 0.000 0.533 114 S N 6.549 121.862 115.700 -0.645 0.000 2.432 114 S HA 0.013 3.438 4.470 -1.743 0.000 0.203 114 S C 0.430 174.762 174.600 -0.447 0.000 0.987 114 S CA 1.238 58.614 58.200 -1.373 0.000 0.908 114 S CB -0.052 61.731 63.200 -2.361 0.000 0.883 114 S HN 0.361 8.343 8.310 -0.547 0.000 0.577 115 S N 1.786 117.324 115.700 -0.270 0.000 3.682 115 S HA -0.254 4.203 4.470 -0.022 0.000 0.354 115 S C -0.925 173.781 174.600 0.176 0.000 1.034 115 S CA 0.457 58.651 58.200 -0.011 0.000 1.084 115 S CB -1.038 62.166 63.200 0.007 0.000 0.903 115 S HN -0.227 7.848 8.310 -0.392 0.000 0.470 116 E N -3.949 116.469 120.200 0.364 0.000 4.365 116 E HA -0.369 4.349 4.350 0.612 0.000 0.209 116 E C -0.021 176.785 176.600 0.343 0.000 1.515 116 E CA 0.568 57.230 56.400 0.437 0.000 2.510 116 E CB -0.723 29.102 29.700 0.209 0.000 2.124 116 E HN -0.153 8.381 8.360 0.298 0.005 0.439 117 G N -0.101 108.791 108.800 0.152 0.000 3.405 117 G HA2 -0.324 3.678 3.960 0.071 0.000 0.246 117 G HA3 -0.324 3.727 3.960 0.152 0.000 0.246 117 G C -1.042 173.838 174.900 -0.032 0.000 1.852 117 G CA 0.349 45.504 45.100 0.092 0.000 1.510 117 G HN 0.270 8.622 8.290 0.103 0.000 0.570 118 D N -1.213 119.119 120.400 -0.113 0.000 1.779 118 D HA 0.027 4.364 4.640 -0.504 0.000 0.814 118 D C -1.954 173.937 176.300 -0.681 0.000 0.417 118 D CA 0.424 54.164 54.000 -0.434 0.000 1.336 118 D CB 0.985 41.564 40.800 -0.368 0.000 1.059 118 D HN -0.094 8.286 8.370 0.017 0.000 0.370 119 W N -0.104 121.153 121.300 -0.072 0.000 2.336 119 W HA 0.249 4.969 4.660 -0.095 -0.118 0.315 119 W C -0.585 176.100 176.519 0.277 0.000 1.016 119 W CA -0.973 56.378 57.345 0.009 0.000 1.318 119 W CB 0.899 30.366 29.460 0.010 0.000 1.247 119 W HN -0.472 7.813 8.180 0.175 0.000 0.414 120 W N 3.359 124.756 121.300 0.162 0.000 2.359 120 W HA 0.167 4.889 4.660 0.105 0.000 0.344 120 W C -0.488 176.081 176.519 0.084 0.000 1.170 120 W CA -3.464 53.928 57.345 0.077 0.000 1.296 120 W CB 1.739 31.137 29.460 -0.104 0.000 1.197 120 W HN 0.326 8.605 8.180 0.165 0.000 0.618 121 E N -0.377 119.919 120.200 0.160 0.000 2.055 121 E HA 0.651 4.982 4.350 -0.392 -0.216 0.274 121 E C -1.206 175.320 176.600 -0.123 0.000 0.949 121 E CA -1.226 55.058 56.400 -0.193 0.000 0.775 121 E CB 0.333 29.843 29.700 -0.316 0.000 1.097 121 E HN -0.088 8.341 8.360 0.114 0.000 0.404 122 A N 5.260 128.022 122.820 -0.095 0.000 2.355 122 A HA 0.638 5.163 4.320 -0.002 -0.207 0.324 122 A C -1.910 175.711 177.584 0.062 0.000 1.117 122 A CA -2.325 49.710 52.037 -0.003 0.000 0.785 122 A CB 3.923 22.922 19.000 -0.002 0.000 1.254 122 A HN 0.272 8.350 8.150 -0.121 0.000 0.453 123 R N 0.875 121.447 120.500 0.120 0.000 2.294 123 R HA 0.213 4.609 4.340 0.094 0.000 0.319 123 R C -0.567 175.849 176.300 0.193 0.000 0.984 123 R CA -1.671 54.499 56.100 0.118 0.000 0.861 123 R CB 2.274 32.605 30.300 0.051 0.000 1.104 123 R HN -0.101 8.189 8.270 0.115 0.049 0.451 124 S N 5.772 121.597 115.700 0.207 0.000 2.498 124 S HA -0.004 4.449 4.470 -0.028 0.000 0.281 124 S C 0.157 174.746 174.600 -0.018 0.000 1.265 124 S CA 0.936 59.195 58.200 0.097 0.000 1.071 124 S CB 0.590 63.893 63.200 0.170 0.000 0.894 124 S HN -0.007 8.419 8.310 0.194 0.000 0.491 125 L N 6.829 127.982 121.223 -0.118 0.000 2.395 125 L HA -0.085 4.233 4.340 -0.037 0.000 0.218 125 L C 1.148 177.979 176.870 -0.065 0.000 1.130 125 L CA 2.357 57.151 54.840 -0.078 0.000 0.826 125 L CB -0.061 41.938 42.059 -0.099 0.000 0.941 125 L HN 0.728 8.807 8.230 -0.250 0.000 0.451 126 T N -1.359 113.145 114.554 -0.083 0.000 2.781 126 T HA -0.152 4.176 4.350 -0.037 0.000 0.252 126 T C 1.351 176.051 174.700 -0.000 0.000 1.039 126 T CA 2.951 65.027 62.100 -0.040 0.000 1.147 126 T CB -0.187 68.656 68.868 -0.041 0.000 0.865 126 T HN 0.037 8.154 8.240 -0.135 0.042 0.423 127 T N -2.027 112.541 114.554 0.023 0.000 2.894 127 T HA -0.001 4.372 4.350 0.039 0.000 0.258 127 T C 1.101 175.824 174.700 0.038 0.000 1.043 127 T CA 0.629 62.756 62.100 0.045 0.000 1.141 127 T CB 0.674 69.588 68.868 0.078 0.000 0.873 127 T HN -0.412 7.842 8.240 0.023 0.000 0.449 128 G N 1.651 110.474 108.800 0.039 0.000 2.213 128 G HA2 -0.340 3.735 3.960 0.025 0.000 0.226 128 G HA3 -0.340 3.636 3.960 0.026 0.000 0.226 128 G C -1.419 173.509 174.900 0.046 0.000 0.992 128 G CA -0.303 44.816 45.100 0.033 0.000 0.632 128 G HN -0.525 7.702 8.290 0.043 0.089 0.511 129 E N 0.702 120.941 120.200 0.065 0.000 2.316 129 E HA 0.001 4.379 4.350 0.048 0.000 0.275 129 E C -0.865 175.782 176.600 0.078 0.000 1.029 129 E CA -0.105 56.335 56.400 0.067 0.000 0.871 129 E CB 0.655 30.402 29.700 0.079 0.000 1.022 129 E HN -0.204 8.120 8.360 0.073 0.079 0.418 130 T N 3.937 118.516 114.554 0.041 0.000 2.907 130 T HA 0.333 4.837 4.350 0.050 -0.124 0.284 130 T C -0.320 174.360 174.700 -0.033 0.000 1.004 130 T CA -0.854 61.251 62.100 0.009 0.000 1.063 130 T CB 1.655 70.500 68.868 -0.038 0.000 0.992 130 T HN 0.136 8.393 8.240 0.028 0.000 0.483 131 G N 4.115 112.863 108.800 -0.088 0.000 2.753 131 G HA2 0.495 4.365 3.960 -0.150 0.000 0.303 131 G HA3 0.495 4.483 3.960 0.046 0.000 0.303 131 G C -2.826 171.887 174.900 -0.312 0.000 1.242 131 G CA 0.123 45.153 45.100 -0.118 0.000 0.810 131 G HN 0.200 8.446 8.290 -0.074 0.000 0.515 132 Y N -1.130 119.230 120.300 0.100 0.000 2.345 132 Y HA 0.738 5.609 4.550 0.162 -0.224 0.331 132 Y C 0.029 176.083 175.900 0.256 0.000 0.959 132 Y CA -1.082 57.113 58.100 0.159 0.000 1.204 132 Y CB 1.458 39.986 38.460 0.114 0.000 1.135 132 Y HN -0.210 8.240 8.280 0.283 0.000 0.477 133 I N -2.842 117.891 120.570 0.272 0.000 2.707 133 I HA 0.601 4.920 4.170 0.248 0.000 0.309 133 I C -2.143 173.965 176.117 -0.016 0.000 1.001 133 I CA -3.994 57.394 61.300 0.148 0.000 1.129 133 I CB 1.560 39.487 38.000 -0.122 0.000 1.308 133 I HN 0.535 8.847 8.210 0.170 0.000 0.466 134 P HA 0.180 4.040 4.420 -1.178 -0.147 0.266 134 P C 0.979 177.968 177.300 -0.517 0.000 1.215 134 P CA -0.370 62.251 63.100 -0.800 0.000 0.763 134 P CB -0.179 30.849 31.700 -1.121 0.000 0.806 135 S N 6.473 121.725 115.700 -0.746 0.000 2.402 135 S HA -0.356 3.576 4.470 -0.897 0.000 0.229 135 S C 1.789 176.013 174.600 -0.626 0.000 1.021 135 S CA 3.878 61.444 58.200 -1.056 0.000 0.974 135 S CB -0.424 61.532 63.200 -2.074 0.000 0.800 135 S HN 0.183 7.976 8.310 -0.861 0.000 0.484 136 N N -0.761 117.691 118.700 -0.413 0.000 2.550 136 N HA -0.130 4.514 4.740 -0.160 0.000 0.186 136 N C 0.258 175.867 175.510 0.163 0.000 1.110 136 N CA 1.919 54.897 53.050 -0.121 0.000 0.912 136 N CB 0.142 38.580 38.487 -0.082 0.000 0.968 136 N HN 0.124 8.181 8.380 -0.513 0.015 0.448 137 Y N -2.932 117.284 120.300 -0.140 0.000 2.468 137 Y HA 0.058 4.765 4.550 0.261 0.000 0.268 137 Y C -1.563 174.366 175.900 0.049 0.000 1.177 137 Y CA -1.219 56.922 58.100 0.068 0.000 1.265 137 Y CB 0.255 38.749 38.460 0.058 0.000 1.103 137 Y HN -0.504 7.607 8.280 0.056 0.203 0.522 138 V N -5.722 114.260 119.914 0.113 0.000 3.040 138 V HA 1.157 5.646 4.120 0.165 -0.270 0.312 138 V C -1.712 174.541 176.094 0.264 0.000 1.115 138 V CA -4.591 57.810 62.300 0.168 0.000 0.998 138 V CB 4.134 36.048 31.823 0.152 0.000 1.042 138 V HN -0.780 7.254 8.190 0.035 0.177 0.433 139 A N -0.254 122.793 122.820 0.378 0.000 2.549 139 A HA 0.566 5.166 4.320 0.466 0.000 0.297 139 A C -3.022 174.624 177.584 0.103 0.000 1.061 139 A CA -2.535 49.706 52.037 0.340 0.000 0.690 139 A CB 2.175 21.236 19.000 0.102 0.000 1.287 139 A HN 0.028 8.460 8.150 0.342 -0.077 0.402 140 P HA -0.035 3.132 4.420 -2.087 0.000 0.267 140 P C -1.090 175.955 177.300 -0.424 0.000 1.205 140 P CA -0.620 61.928 63.100 -0.920 0.000 0.765 140 P CB 0.206 31.597 31.700 -0.515 0.000 0.828 141 V N 0.000 119.667 119.914 -0.412 0.000 2.409 141 V HA 0.000 4.029 4.120 -0.151 0.000 0.244 141 V CA 0.000 62.178 62.300 -0.204 0.000 1.235 141 V CB 0.000 31.727 31.823 -0.160 0.000 1.184 141 V HN 0.000 7.845 8.190 -0.575 0.000 0.556