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 1azg_1_B 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 4.123 4.120 0.006 0.000 0.244 84 V C 0.000 176.099 176.094 0.009 0.000 1.182 84 V CA 0.000 62.300 62.300 0.000 0.000 1.235 84 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 85 T N 8.232 122.811 114.554 0.042 0.000 3.477 85 T HA 0.111 4.433 4.350 -0.047 0.000 0.277 85 T C -2.428 172.364 174.700 0.153 0.000 1.090 85 T CA -0.447 61.730 62.100 0.128 0.000 1.635 85 T CB 0.345 69.424 68.868 0.353 0.000 0.817 85 T HN -0.012 8.256 8.240 0.046 0.000 0.609 86 L N 2.698 123.838 121.223 -0.138 0.000 2.264 86 L HA 0.234 4.683 4.340 0.182 0.000 0.289 86 L C -2.033 174.685 176.870 -0.253 0.000 1.044 86 L CA -0.698 54.122 54.840 -0.034 0.000 0.807 86 L CB 0.372 42.394 42.059 -0.062 0.000 1.192 86 L HN -0.134 7.954 8.230 -0.236 0.000 0.425 87 F N 3.219 123.208 119.950 0.064 0.000 2.508 87 F HA 0.739 5.501 4.527 0.056 -0.201 0.325 87 F C -0.723 175.120 175.800 0.072 0.000 1.090 87 F CA -1.875 56.170 58.000 0.076 0.000 0.945 87 F CB 3.104 42.176 39.000 0.120 0.000 1.156 87 F HN 0.135 8.767 8.300 0.555 0.000 0.463 88 V N -0.076 119.945 119.914 0.178 0.000 2.732 88 V HA 0.463 4.778 4.120 0.074 -0.150 0.310 88 V C -0.546 175.635 176.094 0.146 0.000 1.053 88 V CA -3.413 58.948 62.300 0.101 0.000 0.957 88 V CB 1.719 33.545 31.823 0.005 0.000 1.018 88 V HN 0.314 8.585 8.190 0.135 0.000 0.452 89 A N 3.201 126.124 122.820 0.171 0.000 2.347 89 A HA 0.477 5.154 4.320 0.208 -0.232 0.287 89 A C 0.832 178.438 177.584 0.037 0.000 1.199 89 A CA -1.191 50.983 52.037 0.228 0.000 0.851 89 A CB 0.192 19.513 19.000 0.535 0.000 1.118 89 A HN 0.008 8.232 8.150 0.123 0.000 0.525 90 L N 4.139 125.282 121.223 -0.134 0.000 2.551 90 L HA -0.175 3.911 4.340 -0.423 0.000 0.228 90 L C -0.355 175.850 176.870 -1.107 0.000 1.153 90 L CA 2.064 56.563 54.840 -0.568 0.000 0.851 90 L CB 0.082 41.776 42.059 -0.609 0.000 0.959 90 L HN 0.271 8.375 8.230 -0.038 0.104 0.451 91 Y N -6.142 114.002 120.300 -0.259 0.000 2.689 91 Y HA 0.069 4.510 4.550 -0.181 0.000 0.333 91 Y C -1.325 174.505 175.900 -0.117 0.000 1.190 91 Y CA -2.293 55.600 58.100 -0.345 0.000 1.063 91 Y CB 3.466 41.375 38.460 -0.919 0.000 1.294 91 Y HN -0.812 7.311 8.280 -0.153 0.064 0.466 92 D N -1.347 119.097 120.400 0.073 0.000 2.432 92 D HA -0.061 4.551 4.640 -0.185 -0.083 0.258 92 D C -1.529 174.684 176.300 -0.144 0.000 1.146 92 D CA -1.051 52.864 54.000 -0.142 0.000 1.015 92 D CB 1.271 41.937 40.800 -0.223 0.000 1.107 92 D HN -0.261 8.182 8.370 0.121 0.000 0.529 93 Y N -1.806 118.071 120.300 -0.705 0.000 2.465 93 Y HA 0.228 4.646 4.550 -0.221 0.000 0.323 93 Y C -2.506 173.119 175.900 -0.459 0.000 1.191 93 Y CA -0.079 57.723 58.100 -0.496 0.000 1.082 93 Y CB 3.429 41.556 38.460 -0.556 0.000 1.334 93 Y HN 0.019 7.799 8.280 -0.834 0.000 0.449 94 E N 6.787 126.370 120.200 -1.027 0.000 2.073 94 E HA 0.183 4.289 4.350 -0.405 0.000 0.269 94 E C -2.277 173.875 176.600 -0.746 0.000 0.917 94 E CA -1.474 54.538 56.400 -0.647 0.000 0.757 94 E CB 0.978 30.442 29.700 -0.392 0.000 1.111 94 E HN 0.119 7.791 8.360 -1.147 0.000 0.410 95 A N 5.387 128.040 122.820 -0.277 0.000 2.513 95 A HA -0.198 4.297 4.320 0.293 0.000 0.274 95 A C -0.020 177.545 177.584 -0.031 0.000 1.115 95 A CA 0.937 53.003 52.037 0.048 0.000 0.792 95 A CB -0.096 19.030 19.000 0.210 0.000 1.053 95 A HN 0.431 8.510 8.150 -0.117 0.000 0.515 96 R N 1.991 122.466 120.500 -0.041 0.000 2.335 96 R HA 0.047 4.354 4.340 -0.054 0.000 0.223 96 R C -0.938 175.368 176.300 0.010 0.000 0.940 96 R CA 0.583 56.661 56.100 -0.036 0.000 1.086 96 R CB 0.084 30.352 30.300 -0.053 0.000 1.073 96 R HN 0.277 8.543 8.270 -0.008 0.000 0.504 97 T N -2.436 112.149 114.554 0.051 0.000 2.816 97 T HA 0.064 4.427 4.350 0.022 0.000 0.299 97 T C -0.997 173.747 174.700 0.073 0.000 1.230 97 T CA -1.438 60.688 62.100 0.043 0.000 1.007 97 T CB 1.773 70.655 68.868 0.023 0.000 1.289 97 T HN -0.752 7.440 8.240 0.088 0.100 0.508 98 E N -1.735 118.500 120.200 0.059 0.000 2.502 98 E HA -0.141 4.261 4.350 0.087 0.000 0.194 98 E C -0.316 176.350 176.600 0.111 0.000 1.062 98 E CA 1.129 57.576 56.400 0.078 0.000 0.867 98 E CB -0.189 29.545 29.700 0.056 0.000 0.888 98 E HN 0.243 8.625 8.360 0.037 0.000 0.510 99 D N -0.233 120.236 120.400 0.115 0.000 2.468 99 D HA 0.090 4.854 4.640 0.207 0.000 0.243 99 D C 0.514 176.987 176.300 0.289 0.000 0.994 99 D CA 1.941 56.046 54.000 0.175 0.000 0.932 99 D CB 1.598 42.426 40.800 0.046 0.000 1.078 99 D HN -0.614 7.720 8.370 0.087 0.088 0.473 100 D N -0.351 120.210 120.400 0.268 0.000 2.312 100 D HA 0.059 5.182 4.640 0.434 -0.222 0.244 100 D C 0.410 176.924 176.300 0.356 0.000 1.328 100 D CA 1.524 55.756 54.000 0.386 0.000 0.965 100 D CB 0.881 41.990 40.800 0.513 0.000 1.140 100 D HN -0.425 8.059 8.370 0.189 0.000 0.523 101 L N -3.466 118.009 121.223 0.421 0.000 2.230 101 L HA 0.312 4.842 4.340 0.318 0.000 0.255 101 L C -2.091 175.085 176.870 0.510 0.000 1.039 101 L CA -1.275 53.809 54.840 0.405 0.000 0.846 101 L CB 3.231 45.503 42.059 0.354 0.000 1.419 101 L HN 0.061 8.573 8.230 0.471 0.000 0.435 102 S N -2.191 113.792 115.700 0.471 0.000 2.536 102 S HA 0.690 5.416 4.470 0.068 -0.215 0.287 102 S C -1.333 173.539 174.600 0.454 0.000 1.101 102 S CA -1.038 57.317 58.200 0.258 0.000 0.950 102 S CB 2.877 66.148 63.200 0.117 0.000 1.056 102 S HN -0.347 8.243 8.310 0.467 0.000 0.481 103 F N -3.722 116.340 119.950 0.187 0.000 3.332 103 F HA 0.388 5.103 4.527 0.313 0.000 0.327 103 F C -3.013 172.771 175.800 -0.026 0.000 1.128 103 F CA -0.379 57.770 58.000 0.247 0.000 0.854 103 F CB 0.287 39.584 39.000 0.495 0.000 1.500 103 F HN 0.279 8.214 8.300 -0.609 0.000 0.485 104 H N -2.541 116.793 119.070 0.441 0.000 2.946 104 H HA 0.355 4.993 4.556 0.138 0.000 0.365 104 H C -1.506 174.005 175.328 0.305 0.000 1.197 104 H CA -1.275 54.919 56.048 0.244 0.000 1.131 104 H CB 4.830 34.667 29.762 0.125 0.000 1.849 104 H HN 0.184 8.899 8.280 0.724 0.000 0.555 105 K N -0.879 119.688 120.400 0.278 0.000 2.550 105 K HA -0.445 4.230 4.320 0.139 -0.272 0.280 105 K C 1.200 177.864 176.600 0.106 0.000 0.987 105 K CA 1.446 57.811 56.287 0.129 0.000 1.048 105 K CB -0.377 32.112 32.500 -0.018 0.000 0.879 105 K HN 0.264 8.655 8.250 0.234 0.000 0.491 106 G N 3.059 111.889 108.800 0.050 0.000 2.195 106 G HA2 -0.497 3.449 3.960 -0.023 0.000 0.224 106 G HA3 -0.497 3.469 3.960 0.010 0.000 0.224 106 G C -1.547 173.338 174.900 -0.025 0.000 0.990 106 G CA -0.233 44.870 45.100 0.005 0.000 0.639 106 G HN 0.473 8.786 8.290 0.039 0.000 0.514 107 E N 1.868 122.059 120.200 -0.014 0.000 2.229 107 E HA 0.104 4.338 4.350 -0.195 0.000 0.283 107 E C -0.520 175.787 176.600 -0.488 0.000 1.030 107 E CA -1.249 55.011 56.400 -0.234 0.000 0.836 107 E CB 1.185 30.762 29.700 -0.204 0.000 1.068 107 E HN -0.590 7.763 8.360 0.103 0.068 0.401 108 K N 3.701 123.808 120.400 -0.487 0.000 2.202 108 K HA 0.042 4.231 4.320 -0.218 0.000 0.264 108 K C -0.296 175.878 176.600 -0.711 0.000 1.010 108 K CA -0.411 55.641 56.287 -0.391 0.000 0.940 108 K CB 0.660 33.030 32.500 -0.216 0.000 0.983 108 K HN 0.336 8.356 8.250 -0.383 0.000 0.475 109 F N -1.071 118.857 119.950 -0.038 0.000 2.608 109 F HA 0.187 4.798 4.527 -0.078 -0.131 0.309 109 F C -1.624 174.204 175.800 0.047 0.000 1.103 109 F CA -0.886 57.083 58.000 -0.052 0.000 0.954 109 F CB 4.851 43.764 39.000 -0.144 0.000 1.267 109 F HN 0.039 8.367 8.300 0.046 0.000 0.444 110 Q N 2.429 122.383 119.800 0.257 0.000 2.466 110 Q HA 0.367 4.844 4.340 0.228 0.000 0.242 110 Q C -0.966 175.111 176.000 0.128 0.000 1.046 110 Q CA -1.374 54.539 55.803 0.183 0.000 0.841 110 Q CB 1.037 29.840 28.738 0.108 0.000 1.193 110 Q HN 0.051 8.551 8.270 0.278 -0.064 0.508 111 I N 5.284 125.929 120.570 0.126 0.000 2.578 111 I HA -0.277 3.997 4.170 -0.032 -0.123 0.286 111 I C 0.318 176.415 176.117 -0.033 0.000 1.126 111 I CA 0.029 61.308 61.300 -0.035 0.000 1.380 111 I CB -2.143 35.674 38.000 -0.306 0.000 1.408 111 I HN 0.586 8.960 8.210 0.272 0.000 0.532 112 L N 6.379 127.575 121.223 -0.045 0.000 2.221 112 L HA -0.029 4.297 4.340 -0.024 0.000 0.202 112 L C 0.201 177.022 176.870 -0.082 0.000 1.074 112 L CA 1.330 56.142 54.840 -0.045 0.000 0.795 112 L CB 0.241 42.277 42.059 -0.039 0.000 0.960 112 L HN -0.034 8.166 8.230 -0.050 0.000 0.458 113 N N -0.819 117.823 118.700 -0.096 0.000 2.410 113 N HA 0.200 4.849 4.740 -0.152 0.000 0.287 113 N C -2.137 173.243 175.510 -0.217 0.000 1.044 113 N CA 0.096 53.071 53.050 -0.124 0.000 0.881 113 N CB 3.049 41.512 38.487 -0.039 0.000 1.405 113 N HN -0.871 7.462 8.380 -0.078 0.000 0.490 114 S N 2.575 117.976 115.700 -0.499 0.000 2.526 114 S HA 0.345 4.128 4.470 -1.144 0.000 0.220 114 S C -0.935 173.103 174.600 -0.936 0.000 1.159 114 S CA 0.026 57.465 58.200 -1.268 0.000 1.196 114 S CB 0.518 62.363 63.200 -2.258 0.000 1.225 114 S HN 0.518 8.571 8.310 -0.428 0.000 0.432 115 S N 0.576 116.048 115.700 -0.381 0.000 2.670 115 S HA -0.104 4.232 4.470 -0.224 0.000 0.241 115 S C 0.652 175.238 174.600 -0.023 0.000 1.077 115 S CA 0.152 58.239 58.200 -0.188 0.000 0.899 115 S CB 0.865 63.986 63.200 -0.130 0.000 0.835 115 S HN -0.141 8.024 8.310 -0.242 0.000 0.481 116 E N 2.469 122.695 120.200 0.043 0.000 4.252 116 E HA -0.080 4.312 4.350 0.070 0.000 0.504 116 E C 0.395 177.102 176.600 0.179 0.000 1.537 116 E CA -0.065 56.402 56.400 0.112 0.000 3.138 116 E CB -0.018 29.771 29.700 0.148 0.000 1.223 116 E HN -0.549 7.824 8.360 0.021 0.000 0.580 117 G N -1.275 107.636 108.800 0.184 0.000 2.413 117 G HA2 -0.246 3.805 3.960 0.152 0.000 0.300 117 G HA3 -0.246 3.816 3.960 0.170 0.000 0.300 117 G C -0.054 175.042 174.900 0.327 0.000 1.370 117 G CA -0.138 45.084 45.100 0.202 0.000 1.110 117 G HN 0.059 8.437 8.290 0.146 0.000 0.596 118 D N -2.234 118.348 120.400 0.303 0.000 2.378 118 D HA -0.102 4.700 4.640 0.270 0.000 0.227 118 D C -0.938 175.371 176.300 0.015 0.000 1.012 118 D CA 1.020 55.146 54.000 0.210 0.000 0.905 118 D CB 0.128 40.995 40.800 0.111 0.000 0.895 118 D HN 0.071 8.601 8.370 0.267 0.000 0.532 119 W N -2.729 118.561 121.300 -0.017 0.000 2.429 119 W HA -0.016 4.549 4.660 -0.336 -0.107 0.314 119 W C -1.170 175.503 176.519 0.257 0.000 1.062 119 W CA -0.349 56.946 57.345 -0.084 0.000 1.211 119 W CB 1.841 31.282 29.460 -0.031 0.000 1.305 119 W HN -0.734 7.665 8.180 0.527 0.097 0.476 120 W N 1.221 122.565 121.300 0.074 0.000 2.578 120 W HA 0.373 5.230 4.660 0.088 -0.144 0.364 120 W C -1.153 175.348 176.519 -0.030 0.000 1.144 120 W CA -3.518 53.836 57.345 0.015 0.000 1.242 120 W CB 2.051 31.424 29.460 -0.146 0.000 1.382 120 W HN 0.036 8.051 8.180 -0.275 0.000 0.625 121 E N -2.201 118.047 120.200 0.080 0.000 2.081 121 E HA 0.757 5.004 4.350 -0.501 -0.198 0.276 121 E C -1.274 175.209 176.600 -0.195 0.000 0.950 121 E CA -1.543 54.653 56.400 -0.339 0.000 0.776 121 E CB 0.585 29.912 29.700 -0.622 0.000 1.094 121 E HN 0.146 8.583 8.360 0.128 0.000 0.402 122 A N 4.607 127.304 122.820 -0.204 0.000 2.311 122 A HA 0.609 5.116 4.320 -0.046 -0.215 0.334 122 A C -1.761 175.805 177.584 -0.030 0.000 1.139 122 A CA -2.344 49.628 52.037 -0.108 0.000 0.830 122 A CB 3.763 22.637 19.000 -0.211 0.000 1.234 122 A HN 0.324 8.318 8.150 -0.260 0.000 0.483 123 R N 0.166 120.720 120.500 0.090 0.000 2.343 123 R HA 0.232 4.619 4.340 0.078 0.000 0.320 123 R C -0.351 176.078 176.300 0.216 0.000 0.956 123 R CA -1.663 54.503 56.100 0.111 0.000 0.836 123 R CB 2.347 32.683 30.300 0.060 0.000 1.151 123 R HN -0.065 8.235 8.270 0.115 0.039 0.450 124 S N 6.631 122.471 115.700 0.234 0.000 2.481 124 S HA -0.091 4.443 4.470 0.107 0.000 0.282 124 S C 0.094 174.710 174.600 0.026 0.000 1.243 124 S CA 0.474 58.770 58.200 0.160 0.000 1.078 124 S CB 0.503 63.821 63.200 0.198 0.000 0.916 124 S HN -0.036 8.395 8.310 0.202 0.000 0.495 125 L N 6.854 128.038 121.223 -0.065 0.000 2.376 125 L HA -0.117 4.216 4.340 -0.012 0.000 0.219 125 L C 0.741 177.585 176.870 -0.044 0.000 1.133 125 L CA 2.242 57.053 54.840 -0.048 0.000 0.816 125 L CB -0.166 41.846 42.059 -0.077 0.000 0.933 125 L HN 0.739 8.866 8.230 -0.171 0.000 0.449 126 T N -2.976 111.545 114.554 -0.056 0.000 2.815 126 T HA -0.072 4.262 4.350 -0.026 0.000 0.244 126 T C 1.245 175.952 174.700 0.011 0.000 1.040 126 T CA 2.383 64.468 62.100 -0.026 0.000 1.176 126 T CB -0.109 68.739 68.868 -0.033 0.000 0.880 126 T HN -0.018 8.118 8.240 -0.091 0.050 0.414 127 T N -1.925 112.651 114.554 0.037 0.000 2.701 127 T HA -0.208 4.171 4.350 0.050 0.000 0.263 127 T C 1.322 176.053 174.700 0.051 0.000 1.040 127 T CA 1.300 63.434 62.100 0.058 0.000 1.147 127 T CB 0.452 69.376 68.868 0.093 0.000 0.865 127 T HN -0.328 7.936 8.240 0.040 0.000 0.426 128 G N 1.988 110.822 108.800 0.057 0.000 2.231 128 G HA2 -0.285 3.794 3.960 0.042 0.000 0.206 128 G HA3 -0.285 3.699 3.960 0.040 0.000 0.206 128 G C -1.607 173.330 174.900 0.061 0.000 0.996 128 G CA -0.421 44.709 45.100 0.049 0.000 0.645 128 G HN -0.245 8.086 8.290 0.068 0.000 0.498 129 E N 1.643 121.891 120.200 0.080 0.000 2.313 129 E HA 0.082 4.471 4.350 0.065 0.000 0.276 129 E C -0.845 175.807 176.600 0.087 0.000 1.031 129 E CA -0.474 55.975 56.400 0.082 0.000 0.857 129 E CB 0.563 30.321 29.700 0.096 0.000 1.040 129 E HN -0.610 7.734 8.360 0.089 0.069 0.408 130 T N 3.118 117.706 114.554 0.056 0.000 2.927 130 T HA 0.470 4.956 4.350 0.031 -0.117 0.281 130 T C -0.048 174.651 174.700 -0.002 0.000 0.998 130 T CA -1.054 61.053 62.100 0.013 0.000 1.019 130 T CB 1.911 70.760 68.868 -0.033 0.000 1.061 130 T HN 0.182 8.452 8.240 0.050 0.000 0.518 131 G N -0.499 108.244 108.800 -0.094 0.000 2.554 131 G HA2 0.386 4.362 3.960 0.027 0.000 0.306 131 G HA3 0.386 4.443 3.960 0.102 -0.035 0.306 131 G C -3.066 171.676 174.900 -0.264 0.000 1.320 131 G CA 0.425 45.498 45.100 -0.045 0.000 0.800 131 G HN 0.049 8.249 8.290 -0.149 0.000 0.481 132 Y N -1.613 118.755 120.300 0.113 0.000 2.328 132 Y HA 0.691 5.497 4.550 0.104 -0.194 0.336 132 Y C -0.172 175.839 175.900 0.185 0.000 0.960 132 Y CA -0.771 57.423 58.100 0.157 0.000 1.134 132 Y CB 2.021 40.612 38.460 0.218 0.000 1.166 132 Y HN -0.493 8.075 8.280 0.481 0.000 0.464 133 I N -3.253 117.329 120.570 0.019 0.000 2.846 133 I HA 0.604 4.566 4.170 -0.345 0.000 0.307 133 I C -2.313 173.246 176.117 -0.930 0.000 1.053 133 I CA -4.062 57.005 61.300 -0.389 0.000 1.050 133 I CB 2.222 39.944 38.000 -0.464 0.000 1.239 133 I HN 0.551 8.725 8.210 -0.061 0.000 0.439 134 P HA 0.095 2.892 4.420 -2.705 0.000 0.263 134 P C 0.530 177.153 177.300 -1.129 0.000 1.195 134 P CA -0.068 61.907 63.100 -1.873 0.000 0.762 134 P CB -0.181 30.520 31.700 -1.664 0.000 0.799 135 S N 5.796 120.723 115.700 -1.289 0.000 2.402 135 S HA -0.352 3.161 4.470 -1.594 0.000 0.229 135 S C 1.545 175.639 174.600 -0.844 0.000 1.021 135 S CA 3.642 60.890 58.200 -1.586 0.000 0.974 135 S CB -0.464 61.118 63.200 -2.698 0.000 0.800 135 S HN 0.350 7.854 8.310 -1.344 0.000 0.484 136 N N -1.088 117.278 118.700 -0.557 0.000 2.521 136 N HA -0.165 4.484 4.740 -0.152 0.000 0.188 136 N C 0.036 175.612 175.510 0.110 0.000 1.146 136 N CA 1.231 54.168 53.050 -0.188 0.000 0.893 136 N CB -0.405 37.997 38.487 -0.140 0.000 0.975 136 N HN 0.136 8.092 8.380 -0.672 0.021 0.451 137 Y N -2.116 118.022 120.300 -0.270 0.000 2.555 137 Y HA 0.163 4.820 4.550 0.178 0.000 0.259 137 Y C -1.547 174.353 175.900 0.000 0.000 1.179 137 Y CA -1.645 56.437 58.100 -0.030 0.000 1.230 137 Y CB 0.456 38.868 38.460 -0.080 0.000 1.146 137 Y HN -0.389 7.539 8.280 -0.224 0.218 0.526 138 V N -4.868 115.065 119.914 0.030 0.000 3.049 138 V HA 1.080 5.515 4.120 0.119 -0.243 0.309 138 V C -2.050 174.150 176.094 0.177 0.000 1.148 138 V CA -3.903 58.446 62.300 0.081 0.000 0.990 138 V CB 4.195 36.026 31.823 0.013 0.000 1.039 138 V HN -0.732 7.352 8.190 -0.064 0.068 0.430 139 A N 0.464 123.458 122.820 0.291 0.000 2.594 139 A HA 0.607 5.205 4.320 0.463 0.000 0.291 139 A C -3.154 174.571 177.584 0.236 0.000 1.105 139 A CA -2.440 49.798 52.037 0.336 0.000 0.694 139 A CB 2.031 21.113 19.000 0.137 0.000 1.291 139 A HN 0.124 8.427 8.150 0.254 0.000 0.410 140 P HA 0.012 3.643 4.420 -1.507 -0.116 0.269 140 P C -0.667 176.449 177.300 -0.307 0.000 1.209 140 P CA -0.598 62.155 63.100 -0.578 0.000 0.776 140 P CB 0.189 31.692 31.700 -0.327 0.000 0.876 141 V N 0.000 119.706 119.914 -0.346 0.000 2.409 141 V HA 0.000 4.036 4.120 -0.141 0.000 0.244 141 V CA 0.000 62.191 62.300 -0.182 0.000 1.235 141 V CB 0.000 31.723 31.823 -0.166 0.000 1.184 141 V HN 0.000 7.884 8.190 -0.510 0.000 0.556