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 1nyg_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 4.140 4.120 0.033 0.000 0.244 84 V C 0.000 176.145 176.094 0.084 0.000 1.182 84 V CA 0.000 62.325 62.300 0.041 0.000 1.235 84 V CB 0.000 31.843 31.823 0.034 0.000 1.184 85 T N 2.414 117.038 114.554 0.117 0.000 3.223 85 T HA 0.175 4.741 4.350 0.359 0.000 0.334 85 T C -1.797 173.098 174.700 0.324 0.000 0.940 85 T CA -0.059 62.196 62.100 0.259 0.000 1.272 85 T CB 0.787 69.736 68.868 0.134 0.000 0.982 85 T HN -0.026 8.267 8.240 0.088 0.000 0.512 86 L N 5.570 126.963 121.223 0.284 0.000 2.360 86 L HA 0.540 5.168 4.340 0.222 -0.154 0.265 86 L C -1.359 175.657 176.870 0.243 0.000 1.066 86 L CA -0.719 54.250 54.840 0.216 0.000 0.929 86 L CB -1.058 41.042 42.059 0.068 0.000 1.306 86 L HN 0.318 8.662 8.230 0.191 0.000 0.434 87 F N 3.950 123.942 119.950 0.070 0.000 2.375 87 F HA 0.499 5.196 4.527 0.064 -0.132 0.317 87 F C -0.456 175.385 175.800 0.067 0.000 1.124 87 F CA -1.508 56.546 58.000 0.089 0.000 1.050 87 F CB 2.483 41.578 39.000 0.159 0.000 1.314 87 F HN 0.004 8.704 8.300 0.667 0.000 0.511 88 V N -3.373 116.671 119.914 0.217 0.000 2.876 88 V HA 0.426 4.741 4.120 0.060 -0.158 0.312 88 V C -0.977 175.215 176.094 0.163 0.000 1.085 88 V CA -2.955 59.410 62.300 0.108 0.000 0.945 88 V CB 2.955 34.782 31.823 0.008 0.000 1.017 88 V HN 0.176 8.489 8.190 0.206 0.000 0.428 89 A N 4.117 127.054 122.820 0.195 0.000 2.457 89 A HA 0.501 5.276 4.320 0.335 -0.254 0.298 89 A C 0.984 178.626 177.584 0.096 0.000 1.288 89 A CA -1.099 51.128 52.037 0.317 0.000 0.956 89 A CB -0.301 19.101 19.000 0.669 0.000 1.135 89 A HN 0.126 8.345 8.150 0.116 0.000 0.535 90 L N 4.104 125.217 121.223 -0.185 0.000 2.265 90 L HA -0.294 3.817 4.340 -0.381 0.000 0.215 90 L C -0.134 176.230 176.870 -0.842 0.000 1.117 90 L CA 2.694 57.140 54.840 -0.657 0.000 0.782 90 L CB 0.121 41.499 42.059 -1.135 0.000 0.914 90 L HN 0.260 8.410 8.230 -0.134 0.000 0.441 91 Y N -6.443 113.932 120.300 0.124 0.000 2.644 91 Y HA 0.091 4.691 4.550 0.084 0.000 0.338 91 Y C -1.301 174.778 175.900 0.299 0.000 1.119 91 Y CA -2.951 55.216 58.100 0.112 0.000 1.060 91 Y CB 2.720 41.117 38.460 -0.105 0.000 1.294 91 Y HN -0.742 7.455 8.280 -0.069 0.041 0.472 92 D N -0.103 120.500 120.400 0.338 0.000 2.380 92 D HA -0.223 4.478 4.640 0.162 0.036 0.254 92 D C -1.393 174.968 176.300 0.102 0.000 1.288 92 D CA 0.445 54.506 54.000 0.101 0.000 1.008 92 D CB 0.827 41.485 40.800 -0.236 0.000 1.099 92 D HN 0.181 8.726 8.370 0.292 0.000 0.537 93 Y N -2.554 117.465 120.300 -0.469 0.000 2.314 93 Y HA 0.135 4.488 4.550 -0.327 0.000 0.317 93 Y C -2.451 173.181 175.900 -0.446 0.000 1.234 93 Y CA -0.196 57.570 58.100 -0.557 0.000 1.111 93 Y CB 2.408 40.241 38.460 -1.044 0.000 1.283 93 Y HN -0.215 7.837 8.280 -0.381 0.000 0.418 94 E N 8.654 128.604 120.200 -0.418 0.000 2.136 94 E HA 0.106 4.211 4.350 -0.409 0.000 0.246 94 E C -1.111 175.074 176.600 -0.690 0.000 1.017 94 E CA -1.766 54.363 56.400 -0.452 0.000 0.883 94 E CB -0.558 29.035 29.700 -0.179 0.000 1.199 94 E HN 0.287 8.631 8.360 -0.027 0.000 0.447 95 A N 4.640 126.846 122.820 -1.023 0.000 2.519 95 A HA -0.236 3.505 4.320 -0.966 0.000 0.275 95 A C 0.128 177.530 177.584 -0.303 0.000 1.082 95 A CA 1.159 52.753 52.037 -0.738 0.000 0.841 95 A CB -0.148 18.599 19.000 -0.423 0.000 0.984 95 A HN -0.085 7.451 8.150 -1.024 0.000 0.531 96 R N 2.024 122.422 120.500 -0.171 0.000 2.280 96 R HA -0.127 4.161 4.340 -0.087 0.000 0.207 96 R C -0.127 176.131 176.300 -0.070 0.000 1.043 96 R CA 1.031 57.083 56.100 -0.080 0.000 1.006 96 R CB 0.270 30.561 30.300 -0.015 0.000 0.885 96 R HN 0.302 8.500 8.270 -0.120 0.000 0.467 97 T N -1.265 113.240 114.554 -0.083 0.000 2.907 97 T HA 0.092 4.403 4.350 -0.064 0.000 0.290 97 T C -1.117 173.543 174.700 -0.067 0.000 1.066 97 T CA -2.173 59.881 62.100 -0.077 0.000 1.012 97 T CB 2.092 70.898 68.868 -0.103 0.000 1.184 97 T HN -0.732 7.397 8.240 -0.096 0.054 0.522 98 E N 0.380 120.551 120.200 -0.050 0.000 2.435 98 E HA -0.094 4.243 4.350 -0.021 0.000 0.195 98 E C 0.027 176.626 176.600 -0.002 0.000 1.029 98 E CA 1.330 57.716 56.400 -0.023 0.000 0.865 98 E CB -0.025 29.666 29.700 -0.015 0.000 0.833 98 E HN 0.224 8.553 8.360 -0.052 0.000 0.510 99 D N 1.576 121.961 120.400 -0.025 0.000 2.084 99 D HA -0.223 4.466 4.640 0.082 0.000 0.196 99 D C 0.400 176.774 176.300 0.124 0.000 0.985 99 D CA 3.421 57.436 54.000 0.026 0.000 0.826 99 D CB 0.721 41.445 40.800 -0.126 0.000 0.978 99 D HN -0.570 7.709 8.370 -0.065 0.052 0.456 100 D N -3.903 116.523 120.400 0.044 0.000 2.425 100 D HA 0.032 4.962 4.640 0.284 -0.119 0.274 100 D C -1.072 175.317 176.300 0.150 0.000 1.242 100 D CA 0.399 54.509 54.000 0.183 0.000 1.060 100 D CB 1.235 42.204 40.800 0.282 0.000 1.112 100 D HN -0.181 8.156 8.370 -0.054 0.000 0.561 101 L N -3.998 117.365 121.223 0.233 0.000 2.183 101 L HA 0.329 4.730 4.340 0.102 0.000 0.253 101 L C -1.422 175.471 176.870 0.037 0.000 1.048 101 L CA -1.540 53.407 54.840 0.179 0.000 0.890 101 L CB 2.642 44.861 42.059 0.266 0.000 1.476 101 L HN -0.080 8.413 8.230 0.439 0.000 0.455 102 S N -1.468 114.311 115.700 0.132 0.000 2.541 102 S HA 0.387 4.611 4.470 -0.632 -0.133 0.280 102 S C -1.395 173.368 174.600 0.272 0.000 1.112 102 S CA -0.924 57.193 58.200 -0.138 0.000 0.925 102 S CB 3.087 66.191 63.200 -0.161 0.000 1.067 102 S HN -0.253 8.215 8.310 0.264 0.000 0.479 103 F N -2.947 117.153 119.950 0.251 0.000 3.250 103 F HA 0.314 5.053 4.527 0.353 0.000 0.326 103 F C -3.176 172.869 175.800 0.408 0.000 1.154 103 F CA -1.225 57.006 58.000 0.385 0.000 0.870 103 F CB 0.336 39.661 39.000 0.541 0.000 1.476 103 F HN 0.246 8.116 8.300 -0.718 0.000 0.491 104 H N -0.556 118.800 119.070 0.477 0.000 2.690 104 H HA 0.344 5.040 4.556 0.234 0.000 0.368 104 H C -1.180 174.385 175.328 0.395 0.000 1.150 104 H CA -1.670 54.566 56.048 0.314 0.000 1.174 104 H CB 2.895 32.771 29.762 0.191 0.000 1.684 104 H HN 0.274 9.015 8.280 0.769 0.000 0.538 105 K N 3.555 124.178 120.400 0.372 0.000 2.440 105 K HA -0.529 4.282 4.320 0.355 -0.278 0.275 105 K C 0.301 177.038 176.600 0.227 0.000 1.082 105 K CA 1.591 58.060 56.287 0.303 0.000 1.135 105 K CB -1.536 31.099 32.500 0.225 0.000 0.864 105 K HN 0.559 9.000 8.250 0.246 -0.044 0.479 106 G N 4.526 113.431 108.800 0.175 0.000 2.318 106 G HA2 -0.317 3.670 3.960 0.044 0.000 0.172 106 G HA3 -0.317 3.699 3.960 0.092 0.000 0.172 106 G C -1.033 173.879 174.900 0.019 0.000 1.002 106 G CA -0.469 44.681 45.100 0.083 0.000 0.697 106 G HN 0.307 8.717 8.290 0.200 0.000 0.483 107 E N 1.999 122.208 120.200 0.015 0.000 2.283 107 E HA 0.105 4.337 4.350 -0.197 0.000 0.278 107 E C -0.615 175.654 176.600 -0.551 0.000 1.027 107 E CA -0.764 55.482 56.400 -0.257 0.000 0.843 107 E CB 1.303 30.838 29.700 -0.275 0.000 1.062 107 E HN -0.416 8.044 8.360 0.167 0.000 0.401 108 K N 1.416 121.491 120.400 -0.543 0.000 2.107 108 K HA 0.635 4.970 4.320 -0.245 -0.161 0.251 108 K C -0.135 175.991 176.600 -0.790 0.000 1.012 108 K CA -1.039 54.989 56.287 -0.432 0.000 0.920 108 K CB 1.311 33.687 32.500 -0.207 0.000 1.033 108 K HN 0.278 8.277 8.250 -0.418 0.000 0.478 109 F N -2.073 117.874 119.950 -0.006 0.000 2.631 109 F HA 0.185 4.680 4.527 -0.053 0.000 0.308 109 F C -1.601 174.214 175.800 0.026 0.000 1.097 109 F CA -0.879 57.104 58.000 -0.029 0.000 0.952 109 F CB 4.839 43.788 39.000 -0.085 0.000 1.307 109 F HN 0.085 8.422 8.300 0.063 0.000 0.450 110 Q N 1.747 121.682 119.800 0.225 0.000 2.506 110 Q HA 0.515 5.191 4.340 0.130 -0.258 0.242 110 Q C -0.541 175.472 176.000 0.021 0.000 1.060 110 Q CA -1.827 54.041 55.803 0.108 0.000 0.826 110 Q CB 1.008 29.785 28.738 0.066 0.000 1.169 110 Q HN 0.049 8.479 8.270 0.267 0.000 0.521 111 I N 4.459 124.993 120.570 -0.060 0.000 2.741 111 I HA -0.357 3.713 4.170 -0.168 0.000 0.288 111 I C -0.324 175.670 176.117 -0.205 0.000 1.192 111 I CA 0.685 61.853 61.300 -0.219 0.000 1.426 111 I CB -1.545 36.142 38.000 -0.521 0.000 1.367 111 I HN 0.503 8.700 8.210 -0.023 0.000 0.563 112 L N 5.351 126.455 121.223 -0.197 0.000 2.526 112 L HA 0.136 4.392 4.340 -0.140 0.000 0.210 112 L C 0.175 176.919 176.870 -0.210 0.000 1.048 112 L CA 0.425 55.167 54.840 -0.164 0.000 0.852 112 L CB 0.774 42.765 42.059 -0.113 0.000 1.128 112 L HN -0.100 8.014 8.230 -0.193 0.000 0.482 113 N N -0.454 118.099 118.700 -0.246 0.000 2.540 113 N HA 0.271 4.863 4.740 -0.247 0.000 0.275 113 N C -1.394 173.857 175.510 -0.432 0.000 1.053 113 N CA -0.459 52.440 53.050 -0.251 0.000 0.876 113 N CB 1.612 40.029 38.487 -0.117 0.000 1.284 113 N HN -0.883 7.358 8.380 -0.232 0.000 0.518 114 S N 6.789 122.067 115.700 -0.704 0.000 2.860 114 S HA 0.081 3.392 4.470 -1.931 0.000 0.181 114 S C 0.005 174.347 174.600 -0.429 0.000 0.763 114 S CA 0.522 57.863 58.200 -1.431 0.000 0.829 114 S CB 0.888 62.616 63.200 -2.454 0.000 0.793 114 S HN 0.438 8.412 8.310 -0.560 0.000 0.614 115 S N 2.672 118.216 115.700 -0.261 0.000 3.697 115 S HA -0.253 4.214 4.470 -0.006 0.000 0.388 115 S C -0.505 174.214 174.600 0.198 0.000 0.941 115 S CA -0.429 57.772 58.200 0.003 0.000 1.247 115 S CB -0.919 62.281 63.200 -0.001 0.000 0.904 115 S HN -0.152 7.912 8.310 -0.410 0.000 0.518 116 E N -2.036 118.378 120.200 0.357 0.000 4.365 116 E HA -0.336 4.276 4.350 0.438 0.000 0.209 116 E C -0.095 176.716 176.600 0.351 0.000 1.515 116 E CA 0.537 57.158 56.400 0.369 0.000 2.510 116 E CB -0.797 29.014 29.700 0.184 0.000 2.124 116 E HN -0.038 8.532 8.360 0.349 0.000 0.439 117 G N 0.423 109.327 108.800 0.173 0.000 3.110 117 G HA2 -0.352 3.667 3.960 0.098 0.000 0.238 117 G HA3 -0.352 3.727 3.960 0.197 0.000 0.238 117 G C -1.068 173.837 174.900 0.009 0.000 1.647 117 G CA 0.573 45.750 45.100 0.128 0.000 1.146 117 G HN 0.257 8.618 8.290 0.118 0.000 0.545 118 D N -0.781 119.597 120.400 -0.036 0.000 1.412 118 D HA 0.067 4.465 4.640 -0.403 0.000 0.786 118 D C -1.989 174.021 176.300 -0.484 0.000 0.571 118 D CA 0.419 54.227 54.000 -0.320 0.000 1.290 118 D CB 1.179 41.806 40.800 -0.289 0.000 1.180 118 D HN 0.010 8.449 8.370 0.115 0.000 0.439 119 W N -0.176 121.140 121.300 0.026 0.000 2.294 119 W HA 0.200 4.880 4.660 0.035 0.000 0.314 119 W C -0.650 176.095 176.519 0.377 0.000 1.044 119 W CA -0.830 56.589 57.345 0.122 0.000 1.284 119 W CB 0.877 30.406 29.460 0.115 0.000 1.231 119 W HN -0.584 7.754 8.180 0.263 0.000 0.419 120 W N 4.136 125.581 121.300 0.242 0.000 2.448 120 W HA 0.207 4.942 4.660 0.126 0.000 0.339 120 W C -0.820 175.743 176.519 0.073 0.000 1.124 120 W CA -3.494 53.919 57.345 0.112 0.000 1.262 120 W CB 2.174 31.609 29.460 -0.042 0.000 1.251 120 W HN 0.371 8.747 8.180 0.327 0.000 0.597 121 E N -0.730 119.542 120.200 0.120 0.000 2.035 121 E HA 0.722 5.175 4.350 -0.279 -0.271 0.271 121 E C -1.440 175.077 176.600 -0.138 0.000 0.953 121 E CA -1.882 54.406 56.400 -0.187 0.000 0.777 121 E CB -0.546 28.929 29.700 -0.375 0.000 1.104 121 E HN -0.116 8.287 8.360 0.073 0.000 0.408 122 A N 4.844 127.592 122.820 -0.121 0.000 2.340 122 A HA 0.415 4.843 4.320 -0.075 -0.153 0.331 122 A C -1.948 175.608 177.584 -0.048 0.000 1.140 122 A CA -2.155 49.828 52.037 -0.091 0.000 0.801 122 A CB 3.600 22.524 19.000 -0.127 0.000 1.234 122 A HN 0.270 8.345 8.150 -0.126 0.000 0.469 123 R N 1.838 122.361 120.500 0.038 0.000 2.265 123 R HA 0.329 4.806 4.340 0.045 -0.111 0.319 123 R C -0.446 175.981 176.300 0.211 0.000 1.006 123 R CA -1.642 54.504 56.100 0.077 0.000 0.880 123 R CB 2.426 32.747 30.300 0.035 0.000 1.077 123 R HN -0.057 8.133 8.270 0.041 0.104 0.454 124 S N 5.795 121.644 115.700 0.249 0.000 2.505 124 S HA 0.113 4.821 4.470 0.397 0.000 0.276 124 S C 0.763 175.422 174.600 0.098 0.000 1.274 124 S CA -0.556 57.814 58.200 0.284 0.000 1.053 124 S CB 0.478 63.869 63.200 0.319 0.000 0.919 124 S HN 0.104 8.523 8.310 0.182 0.000 0.490 125 L N 3.816 125.046 121.223 0.012 0.000 2.610 125 L HA -0.074 4.275 4.340 0.014 0.000 0.232 125 L C 0.530 177.394 176.870 -0.010 0.000 1.149 125 L CA 2.609 57.445 54.840 -0.007 0.000 0.872 125 L CB -0.411 41.625 42.059 -0.038 0.000 0.992 125 L HN 0.651 8.846 8.230 -0.058 0.000 0.447 126 T N -2.247 112.306 114.554 -0.002 0.000 2.988 126 T HA -0.109 4.239 4.350 -0.004 0.000 0.240 126 T C 1.110 175.829 174.700 0.031 0.000 1.014 126 T CA 2.751 64.856 62.100 0.008 0.000 1.155 126 T CB -0.182 68.691 68.868 0.009 0.000 0.872 126 T HN -0.051 8.100 8.240 0.009 0.094 0.440 127 T N -2.150 112.438 114.554 0.056 0.000 2.939 127 T HA 0.047 4.423 4.350 0.044 0.000 0.254 127 T C 1.187 175.913 174.700 0.044 0.000 1.041 127 T CA 0.249 62.382 62.100 0.055 0.000 1.142 127 T CB 0.270 69.184 68.868 0.077 0.000 0.874 127 T HN -0.513 7.772 8.240 0.076 0.000 0.452 128 G N 1.730 110.560 108.800 0.050 0.000 2.284 128 G HA2 -0.370 3.650 3.960 0.033 0.000 0.216 128 G HA3 -0.370 3.606 3.960 0.027 0.000 0.216 128 G C -0.686 174.236 174.900 0.036 0.000 1.009 128 G CA -0.104 45.017 45.100 0.036 0.000 0.625 128 G HN -0.403 7.927 8.290 0.066 0.000 0.501 129 E N 0.529 120.755 120.200 0.043 0.000 2.345 129 E HA 0.186 4.546 4.350 0.017 0.000 0.259 129 E C -1.087 175.533 176.600 0.033 0.000 1.117 129 E CA -0.164 56.255 56.400 0.031 0.000 0.913 129 E CB 1.725 31.445 29.700 0.033 0.000 1.057 129 E HN -0.172 8.141 8.360 0.052 0.079 0.432 130 T N -0.877 113.675 114.554 -0.003 0.000 2.942 130 T HA 0.466 4.922 4.350 -0.004 -0.108 0.289 130 T C -0.324 174.328 174.700 -0.080 0.000 1.044 130 T CA -2.253 59.823 62.100 -0.040 0.000 1.023 130 T CB 1.958 70.776 68.868 -0.083 0.000 1.123 130 T HN 0.030 8.262 8.240 -0.014 0.000 0.512 131 G N 0.504 109.225 108.800 -0.132 0.000 2.663 131 G HA2 0.392 4.243 3.960 -0.183 0.000 0.299 131 G HA3 0.392 4.353 3.960 0.000 0.000 0.299 131 G C -2.354 172.413 174.900 -0.222 0.000 1.372 131 G CA 0.154 45.172 45.100 -0.136 0.000 0.781 131 G HN 0.013 8.221 8.290 -0.136 0.000 0.491 132 Y N -0.056 120.303 120.300 0.099 0.000 2.676 132 Y HA 0.423 5.317 4.550 0.214 -0.215 0.338 132 Y C 0.490 176.631 175.900 0.401 0.000 1.057 132 Y CA 0.159 58.383 58.100 0.207 0.000 1.314 132 Y CB -0.436 38.086 38.460 0.102 0.000 1.164 132 Y HN -0.416 8.020 8.280 0.259 0.000 0.509 133 I N -2.124 118.677 120.570 0.384 0.000 2.677 133 I HA 0.500 5.014 4.170 0.573 0.000 0.305 133 I C -1.969 174.254 176.117 0.176 0.000 0.988 133 I CA -3.525 57.983 61.300 0.348 0.000 1.260 133 I CB 0.780 38.800 38.000 0.034 0.000 1.410 133 I HN 0.326 8.662 8.210 0.209 0.000 0.523 134 P HA 0.148 4.030 4.420 -0.897 0.000 0.266 134 P C 0.897 178.013 177.300 -0.307 0.000 1.215 134 P CA -0.238 62.532 63.100 -0.551 0.000 0.763 134 P CB -0.302 30.906 31.700 -0.820 0.000 0.806 135 S N 6.663 122.037 115.700 -0.543 0.000 2.382 135 S HA -0.359 3.729 4.470 -0.636 0.000 0.228 135 S C 1.731 176.010 174.600 -0.534 0.000 1.027 135 S CA 3.894 61.575 58.200 -0.865 0.000 0.991 135 S CB -0.429 61.609 63.200 -1.937 0.000 0.823 135 S HN 0.157 8.070 8.310 -0.661 0.000 0.469 136 N N -0.046 118.438 118.700 -0.360 0.000 2.550 136 N HA -0.247 4.366 4.740 -0.211 0.000 0.186 136 N C -0.371 175.111 175.510 -0.047 0.000 1.110 136 N CA 1.128 54.070 53.050 -0.181 0.000 0.912 136 N CB -0.253 38.143 38.487 -0.151 0.000 0.968 136 N HN 0.234 8.360 8.380 -0.406 0.010 0.448 137 Y N -4.353 115.862 120.300 -0.142 0.000 2.466 137 Y HA -0.058 4.539 4.550 0.077 0.000 0.272 137 Y C -1.340 174.583 175.900 0.038 0.000 1.169 137 Y CA 0.426 58.528 58.100 0.004 0.000 1.285 137 Y CB 0.756 39.231 38.460 0.025 0.000 1.078 137 Y HN -0.566 7.584 8.280 0.123 0.203 0.523 138 V N -6.250 113.749 119.914 0.142 0.000 2.962 138 V HA 1.107 5.615 4.120 0.203 -0.266 0.313 138 V C -1.833 174.446 176.094 0.308 0.000 1.099 138 V CA -4.426 58.014 62.300 0.234 0.000 0.971 138 V CB 4.049 36.057 31.823 0.309 0.000 1.028 138 V HN -0.781 7.275 8.190 0.062 0.172 0.430 139 A N 0.419 123.441 122.820 0.336 0.000 2.556 139 A HA 0.600 5.180 4.320 0.433 0.000 0.294 139 A C -2.938 174.446 177.584 -0.334 0.000 1.091 139 A CA -2.817 49.350 52.037 0.217 0.000 0.704 139 A CB 2.047 21.048 19.000 0.001 0.000 1.300 139 A HN 0.083 8.388 8.150 0.259 0.000 0.406 140 P HA -0.018 2.563 4.420 -3.065 0.000 0.268 140 P C -1.602 175.314 177.300 -0.640 0.000 1.204 140 P CA -0.165 61.998 63.100 -1.560 0.000 0.768 140 P CB 0.247 31.441 31.700 -0.844 0.000 0.842 141 V N 0.000 119.615 119.914 -0.498 0.000 2.409 141 V HA 0.000 4.001 4.120 -0.198 0.000 0.244 141 V CA 0.000 62.160 62.300 -0.233 0.000 1.235 141 V CB 0.000 31.736 31.823 -0.145 0.000 1.184 141 V HN 0.000 7.831 8.190 -0.598 0.000 0.556