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 1bhc_1_G DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPcKARIIR YFYNAKAGLc QTFVYGGcRA KRNNFKSAED DATA SEQUENCE cMRTcG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.151 176.300 -0.248 0.000 0.893 1 R CA 0.000 55.969 56.100 -0.218 0.000 0.921 1 R CB 0.000 30.125 30.300 -0.292 0.000 0.687 2 P HA 0.099 nan 4.420 nan 0.000 0.267 2 P C -0.198 176.821 177.300 -0.469 0.000 1.201 2 P CA -0.194 62.619 63.100 -0.478 0.000 0.775 2 P CB 0.542 31.693 31.700 -0.914 0.000 0.854 3 D N 0.281 120.515 120.400 -0.277 0.000 2.178 3 D HA -0.121 4.518 4.640 -0.000 0.000 0.201 3 D C 1.519 177.775 176.300 -0.073 0.000 0.980 3 D CA 0.992 54.916 54.000 -0.127 0.000 0.842 3 D CB -0.439 40.344 40.800 -0.028 0.000 0.948 3 D HN 0.497 nan 8.370 nan 0.000 0.472 4 F N -0.225 119.752 119.950 0.045 0.000 2.333 4 F HA -0.086 4.441 4.527 -0.001 0.000 0.300 4 F C 1.925 177.788 175.800 0.105 0.000 1.083 4 F CA -0.037 57.994 58.000 0.052 0.000 1.395 4 F CB -1.520 37.497 39.000 0.028 0.000 1.056 4 F HN -0.062 nan 8.300 nan 0.000 0.529 5 c N 0.948 119.514 118.600 -0.055 0.000 2.466 5 c HA 0.014 4.583 4.570 -0.000 0.000 0.283 5 c C 2.352 176.610 174.090 0.280 0.000 1.472 5 c CA 0.150 56.586 56.329 0.177 0.000 1.765 5 c CB -1.525 40.937 42.510 -0.081 0.000 1.724 5 c HN 0.494 nan 8.230 nan 0.000 0.560 6 L N 0.329 121.656 121.223 0.173 0.000 2.554 6 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 6 L C 1.087 178.042 176.870 0.141 0.000 1.104 6 L CA 0.754 55.687 54.840 0.154 0.000 0.866 6 L CB -0.965 41.148 42.059 0.089 0.000 1.047 6 L HN 0.417 nan 8.230 nan 0.000 0.468 7 E N 1.824 122.119 120.200 0.158 0.000 2.398 7 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 7 E C -2.048 174.610 176.600 0.096 0.000 1.046 7 E CA -1.551 54.912 56.400 0.106 0.000 0.908 7 E CB 0.276 30.034 29.700 0.097 0.000 0.963 7 E HN 0.079 nan 8.360 nan 0.000 0.431 8 P HA 0.171 nan 4.420 nan 0.000 0.279 8 P C -2.541 174.639 177.300 -0.201 0.000 1.252 8 P CA -1.696 61.370 63.100 -0.057 0.000 0.811 8 P CB 0.107 31.773 31.700 -0.057 0.000 1.035 9 P HA 0.031 nan 4.420 nan 0.000 0.268 9 P C -1.257 175.805 177.300 -0.398 0.000 1.205 9 P CA 0.385 62.936 63.100 -0.914 0.000 0.771 9 P CB 0.189 30.706 31.700 -1.972 0.000 0.858 10 Y N 1.685 121.790 120.300 -0.326 0.000 2.338 10 Y HA 0.243 4.793 4.550 -0.000 0.000 0.328 10 Y C 1.256 177.303 175.900 0.246 0.000 0.965 10 Y CA -0.143 57.938 58.100 -0.032 0.000 1.208 10 Y CB 1.285 39.742 38.460 -0.005 0.000 1.132 10 Y HN 0.274 nan 8.280 nan 0.000 0.469 11 T N 3.867 118.358 114.554 -0.105 0.000 2.857 11 T HA 0.262 4.612 4.350 -0.000 0.000 0.266 11 T C 0.696 175.223 174.700 -0.288 0.000 1.048 11 T CA 1.435 63.529 62.100 -0.010 0.000 1.139 11 T CB -0.733 68.101 68.868 -0.056 0.000 0.874 11 T HN 1.179 nan 8.240 nan 0.000 0.455 12 G N 1.397 109.681 108.800 -0.861 0.000 2.756 12 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.678 12 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.678 12 G C -2.017 172.681 174.900 -0.335 0.000 1.349 12 G CA -0.323 44.349 45.100 -0.714 0.000 0.847 12 G HN 0.133 nan 8.290 nan 0.000 0.548 13 P HA 0.107 nan 4.420 nan 0.000 0.225 13 P C 1.198 178.430 177.300 -0.113 0.000 1.156 13 P CA 0.864 63.903 63.100 -0.102 0.000 0.787 13 P CB -0.003 31.678 31.700 -0.032 0.000 0.802 14 c N 1.394 119.904 118.600 -0.150 0.000 2.705 14 c HA 0.112 4.682 4.570 -0.000 0.000 0.382 14 c C 1.875 175.867 174.090 -0.164 0.000 1.322 14 c CA -0.130 56.105 56.329 -0.157 0.000 2.290 14 c CB 0.274 42.673 42.510 -0.185 0.000 2.650 14 c HN 0.225 nan 8.230 nan 0.000 0.695 15 K N 0.741 121.060 120.400 -0.135 0.000 2.374 15 K HA 0.377 4.697 4.320 -0.000 0.000 0.196 15 K C 0.443 176.971 176.600 -0.121 0.000 1.023 15 K CA 0.218 56.437 56.287 -0.115 0.000 1.103 15 K CB -0.452 31.999 32.500 -0.081 0.000 0.848 15 K HN 0.578 nan 8.250 nan 0.000 0.528 16 A N 1.881 124.608 122.820 -0.155 0.000 2.327 16 A HA 0.457 4.777 4.320 -0.000 0.000 0.255 16 A C -0.234 177.260 177.584 -0.150 0.000 1.099 16 A CA -0.543 51.409 52.037 -0.142 0.000 0.801 16 A CB 0.304 19.210 19.000 -0.156 0.000 1.062 16 A HN 0.273 nan 8.150 nan 0.000 0.496 17 R N 0.467 120.896 120.500 -0.117 0.000 2.585 17 R HA 0.339 4.679 4.340 -0.000 0.000 0.278 17 R C -1.723 174.517 176.300 -0.099 0.000 1.663 17 R CA -0.179 55.856 56.100 -0.108 0.000 1.592 17 R CB 0.359 30.612 30.300 -0.078 0.000 1.200 17 R HN 0.559 nan 8.270 nan 0.000 0.611 18 I N 1.811 122.312 120.570 -0.116 0.000 2.437 18 I HA 0.329 4.499 4.170 -0.000 0.000 0.298 18 I C 0.643 176.673 176.117 -0.145 0.000 0.984 18 I CA -0.574 60.673 61.300 -0.088 0.000 1.214 18 I CB 1.448 39.430 38.000 -0.030 0.000 1.365 18 I HN 0.240 nan 8.210 nan 0.000 0.469 19 I N 6.136 126.615 120.570 -0.152 0.000 2.519 19 I HA 0.344 4.513 4.170 -0.000 0.000 0.287 19 I C 0.212 176.129 176.117 -0.333 0.000 1.047 19 I CA -0.369 60.779 61.300 -0.254 0.000 1.381 19 I CB 0.334 38.214 38.000 -0.200 0.000 1.417 19 I HN 0.490 nan 8.210 nan 0.000 0.540 20 R N 4.517 124.696 120.500 -0.534 0.000 2.831 20 R HA 0.514 4.854 4.340 -0.000 0.000 0.266 20 R C -1.608 174.480 176.300 -0.353 0.000 1.051 20 R CA -1.042 54.803 56.100 -0.424 0.000 0.943 20 R CB 1.529 31.550 30.300 -0.465 0.000 1.228 20 R HN 0.330 nan 8.270 nan 0.000 0.467 21 Y N 0.408 120.939 120.300 0.384 0.000 2.487 21 Y HA 0.611 5.161 4.550 0.000 0.000 0.337 21 Y C 0.116 176.484 175.900 0.779 0.000 1.076 21 Y CA -0.762 57.649 58.100 0.519 0.000 1.115 21 Y CB 1.427 40.077 38.460 0.316 0.000 1.235 21 Y HN 0.496 nan 8.280 nan 0.000 0.468 22 F N -0.307 119.982 119.950 0.564 0.000 2.631 22 F HA 0.531 5.058 4.527 0.000 0.000 0.308 22 F C -1.982 174.036 175.800 0.363 0.000 1.097 22 F CA -1.998 56.253 58.000 0.419 0.000 0.952 22 F CB 0.768 39.786 39.000 0.030 0.000 1.307 22 F HN 0.386 nan 8.300 nan 0.000 0.450 23 Y N 3.323 123.703 120.300 0.134 0.000 2.365 23 Y HA 0.352 4.901 4.550 -0.001 0.000 0.340 23 Y C -0.136 175.686 175.900 -0.130 0.000 1.016 23 Y CA -0.540 57.522 58.100 -0.063 0.000 1.196 23 Y CB 0.441 38.947 38.460 0.077 0.000 1.167 23 Y HN 0.762 nan 8.280 nan 0.000 0.509 24 N N 5.244 123.427 118.700 -0.862 0.000 2.558 24 N HA 0.194 4.934 4.740 -0.000 0.000 0.233 24 N C 0.569 175.655 175.510 -0.707 0.000 1.038 24 N CA 0.529 53.243 53.050 -0.560 0.000 0.934 24 N CB 1.057 39.271 38.487 -0.454 0.000 1.175 24 N HN 0.919 nan 8.380 nan 0.000 0.512 25 A N 4.707 127.274 122.820 -0.422 0.000 1.892 25 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 25 A C 2.059 179.544 177.584 -0.166 0.000 1.188 25 A CA 1.477 53.372 52.037 -0.236 0.000 0.631 25 A CB -0.319 18.702 19.000 0.034 0.000 0.822 25 A HN 0.722 nan 8.150 nan 0.000 0.447 26 K N -0.854 119.482 120.400 -0.107 0.000 2.063 26 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 26 K C 2.070 178.617 176.600 -0.088 0.000 1.048 26 K CA 1.319 57.567 56.287 -0.064 0.000 0.928 26 K CB -0.260 32.222 32.500 -0.030 0.000 0.713 26 K HN 0.484 nan 8.250 nan 0.000 0.442 27 A N 0.047 122.780 122.820 -0.145 0.000 2.132 27 A HA 0.181 4.501 4.320 -0.000 0.000 0.213 27 A C 1.214 178.703 177.584 -0.159 0.000 1.154 27 A CA 0.722 52.679 52.037 -0.133 0.000 0.753 27 A CB -0.088 18.831 19.000 -0.135 0.000 0.826 27 A HN 0.384 nan 8.150 nan 0.000 0.469 28 G N -0.736 107.905 108.800 -0.264 0.000 2.338 28 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.296 28 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.296 28 G C -0.240 174.576 174.900 -0.140 0.000 1.040 28 G CA 0.717 45.709 45.100 -0.180 0.000 1.004 28 G HN 0.626 nan 8.290 nan 0.000 0.509 29 L N -1.527 119.477 121.223 -0.366 0.000 2.540 29 L HA 0.488 4.828 4.340 -0.000 0.000 0.256 29 L C -0.069 176.638 176.870 -0.272 0.000 1.001 29 L CA -0.657 54.083 54.840 -0.168 0.000 0.843 29 L CB 2.071 44.050 42.059 -0.133 0.000 1.436 29 L HN 0.214 nan 8.230 nan 0.000 0.410 30 c N 1.469 120.022 118.600 -0.080 0.000 2.401 30 c HA 0.622 5.192 4.570 -0.000 0.000 0.365 30 c C 0.236 174.265 174.090 -0.101 0.000 1.250 30 c CA -0.328 55.948 56.329 -0.088 0.000 2.131 30 c CB 1.209 43.753 42.510 0.056 0.000 2.445 30 c HN 0.684 nan 8.230 nan 0.000 0.550 31 Q N 0.245 119.895 119.800 -0.251 0.000 2.587 31 Q HA 0.570 4.910 4.340 -0.000 0.000 0.293 31 Q C -0.440 175.707 176.000 0.244 0.000 1.083 31 Q CA -0.597 55.187 55.803 -0.032 0.000 0.792 31 Q CB 2.006 30.662 28.738 -0.137 0.000 1.484 31 Q HN 0.798 nan 8.270 nan 0.000 0.446 32 T N -1.370 113.354 114.554 0.285 0.000 2.902 32 T HA 0.775 5.125 4.350 -0.000 0.000 0.280 32 T C -0.523 174.471 174.700 0.491 0.000 0.992 32 T CA -0.522 61.706 62.100 0.212 0.000 1.015 32 T CB 0.568 69.427 68.868 -0.014 0.000 1.044 32 T HN 0.519 nan 8.240 nan 0.000 0.520 33 F N -1.497 118.504 119.950 0.085 0.000 2.719 33 F HA 0.652 5.179 4.527 -0.000 0.000 0.309 33 F C -1.919 173.877 175.800 -0.006 0.000 1.138 33 F CA -1.682 56.333 58.000 0.025 0.000 0.943 33 F CB 0.722 39.665 39.000 -0.096 0.000 1.304 33 F HN 0.466 nan 8.300 nan 0.000 0.445 34 V N 3.445 123.306 119.914 -0.089 0.000 2.406 34 V HA 0.210 4.330 4.120 -0.000 0.000 0.272 34 V C -0.934 175.034 176.094 -0.209 0.000 1.043 34 V CA -0.387 61.797 62.300 -0.192 0.000 0.915 34 V CB 0.616 32.398 31.823 -0.068 0.000 0.988 34 V HN 0.737 nan 8.190 nan 0.000 0.466 35 Y N 3.642 123.658 120.300 -0.474 0.000 2.342 35 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 35 Y C 1.150 176.941 175.900 -0.182 0.000 1.067 35 Y CA -0.975 56.926 58.100 -0.331 0.000 1.128 35 Y CB 1.923 40.138 38.460 -0.408 0.000 1.200 35 Y HN 0.600 nan 8.280 nan 0.000 0.464 36 G N 2.010 110.475 108.800 -0.558 0.000 2.650 36 G HA2 0.283 4.243 3.960 -0.000 0.000 0.214 36 G HA3 0.283 4.243 3.960 -0.000 0.000 0.214 36 G C 1.006 175.509 174.900 -0.661 0.000 1.136 36 G CA 0.361 45.161 45.100 -0.499 0.000 0.789 36 G HN 1.638 nan 8.290 nan 0.000 0.536 37 G N -1.816 106.189 108.800 -1.325 0.000 2.184 37 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.206 37 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.206 37 G C 0.326 174.944 174.900 -0.470 0.000 0.995 37 G CA 0.324 44.949 45.100 -0.791 0.000 0.651 37 G HN 1.655 nan 8.290 nan 0.000 0.511 38 c N -2.430 115.896 118.600 -0.456 0.000 3.285 38 c HA 0.826 5.396 4.570 -0.000 0.000 0.325 38 c C 0.530 174.695 174.090 0.124 0.000 1.304 38 c CA -0.339 55.963 56.329 -0.045 0.000 1.319 38 c CB 1.329 43.805 42.510 -0.057 0.000 1.640 38 c HN 1.264 nan 8.230 nan 0.000 0.477 39 R N 0.163 120.777 120.500 0.190 0.000 3.264 39 R HA -0.001 4.339 4.340 -0.000 0.000 0.251 39 R C 0.319 176.846 176.300 0.379 0.000 0.971 39 R CA 1.066 57.309 56.100 0.238 0.000 0.658 39 R CB -1.882 28.559 30.300 0.234 0.000 1.095 39 R HN 1.743 nan 8.270 nan 0.000 0.443 40 A N 0.655 123.684 122.820 0.349 0.000 2.386 40 A HA 0.418 4.738 4.320 -0.000 0.000 0.248 40 A C 0.483 178.120 177.584 0.089 0.000 1.082 40 A CA 0.070 52.258 52.037 0.253 0.000 0.789 40 A CB 0.489 19.446 19.000 -0.071 0.000 1.025 40 A HN 0.310 nan 8.150 nan 0.000 0.490 41 K N 0.186 120.618 120.400 0.053 0.000 2.210 41 K HA 0.361 4.681 4.320 -0.000 0.000 0.236 41 K C 0.871 177.353 176.600 -0.197 0.000 1.016 41 K CA -1.024 55.211 56.287 -0.087 0.000 0.913 41 K CB 0.768 33.205 32.500 -0.105 0.000 1.141 41 K HN 0.607 nan 8.250 nan 0.000 0.462 42 R N 0.660 120.989 120.500 -0.284 0.000 2.120 42 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 42 R C 0.735 176.665 176.300 -0.617 0.000 1.123 42 R CA 0.922 56.666 56.100 -0.593 0.000 0.975 42 R CB -0.477 29.300 30.300 -0.871 0.000 0.866 42 R HN 0.472 nan 8.270 nan 0.000 0.446 43 N N 2.219 120.812 118.700 -0.178 0.000 3.245 43 N HA -0.037 4.703 4.740 -0.000 0.000 0.296 43 N C -1.233 174.278 175.510 0.001 0.000 1.254 43 N CA 0.093 53.191 53.050 0.080 0.000 1.190 43 N CB -0.436 38.237 38.487 0.310 0.000 1.460 43 N HN 0.058 nan 8.380 nan 0.000 0.538 44 N N 2.330 120.832 118.700 -0.330 0.000 2.599 44 N HA 0.181 4.921 4.740 -0.000 0.000 0.283 44 N C -1.964 173.320 175.510 -0.377 0.000 1.160 44 N CA -0.275 52.717 53.050 -0.098 0.000 0.869 44 N CB 0.131 38.512 38.487 -0.177 0.000 1.448 44 N HN -0.023 nan 8.380 nan 0.000 0.535 45 F N 1.976 122.064 119.950 0.230 0.000 2.507 45 F HA 0.443 4.970 4.527 0.000 0.000 0.325 45 F C 1.707 177.642 175.800 0.226 0.000 1.116 45 F CA -0.862 57.252 58.000 0.189 0.000 0.930 45 F CB 2.309 41.440 39.000 0.219 0.000 1.146 45 F HN 0.366 nan 8.300 nan 0.000 0.447 46 K N 0.900 121.478 120.400 0.297 0.000 2.155 46 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 46 K C 0.597 177.405 176.600 0.346 0.000 1.052 46 K CA 0.846 57.277 56.287 0.240 0.000 0.948 46 K CB 0.154 32.737 32.500 0.139 0.000 0.728 46 K HN 0.506 nan 8.250 nan 0.000 0.448 47 S N -0.972 114.903 115.700 0.291 0.000 2.454 47 S HA 0.462 4.931 4.470 -0.000 0.000 0.306 47 S C 0.640 175.176 174.600 -0.107 0.000 1.100 47 S CA -0.351 57.921 58.200 0.120 0.000 1.087 47 S CB 1.737 64.973 63.200 0.060 0.000 1.019 47 S HN 0.292 nan 8.310 nan 0.000 0.480 48 A N 3.834 126.296 122.820 -0.597 0.000 1.908 48 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 48 A C 1.951 179.295 177.584 -0.401 0.000 1.181 48 A CA 1.977 53.475 52.037 -0.899 0.000 0.627 48 A CB -1.077 17.281 19.000 -1.069 0.000 0.818 48 A HN 1.016 nan 8.150 nan 0.000 0.445 49 E N -0.087 119.955 120.200 -0.264 0.000 2.070 49 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 49 E C 1.264 177.753 176.600 -0.186 0.000 1.004 49 E CA 1.708 58.001 56.400 -0.178 0.000 0.805 49 E CB -0.236 29.396 29.700 -0.112 0.000 0.744 49 E HN 0.539 nan 8.360 nan 0.000 0.451 50 D N 0.218 120.519 120.400 -0.164 0.000 2.144 50 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 50 D C 1.976 177.957 176.300 -0.531 0.000 0.984 50 D CA 1.057 54.948 54.000 -0.182 0.000 0.834 50 D CB -0.766 40.044 40.800 0.017 0.000 0.955 50 D HN 0.274 nan 8.370 nan 0.000 0.465 51 c N 0.443 118.614 118.600 -0.715 0.000 2.442 51 c HA -0.128 4.442 4.570 -0.000 0.000 0.279 51 c C 2.486 176.229 174.090 -0.578 0.000 1.237 51 c CA 0.615 56.285 56.329 -1.099 0.000 1.722 51 c CB -0.825 41.424 42.510 -0.436 0.000 2.056 51 c HN 0.231 nan 8.230 nan 0.000 0.469 52 M N 0.359 119.763 119.600 -0.326 0.000 2.296 52 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 52 M C 2.245 178.412 176.300 -0.222 0.000 1.064 52 M CA 1.275 56.449 55.300 -0.210 0.000 1.109 52 M CB -1.433 31.089 32.600 -0.130 0.000 1.396 52 M HN 0.542 nan 8.290 nan 0.000 0.430 53 R N -0.974 119.390 120.500 -0.227 0.000 2.093 53 R HA -0.064 4.276 4.340 -0.000 0.000 0.224 53 R C 1.776 177.973 176.300 -0.172 0.000 1.101 53 R CA 1.610 57.610 56.100 -0.166 0.000 0.979 53 R CB 0.039 30.266 30.300 -0.121 0.000 0.877 53 R HN 0.229 nan 8.270 nan 0.000 0.441 54 T N -0.584 113.840 114.554 -0.215 0.000 2.851 54 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 54 T C 1.695 176.274 174.700 -0.202 0.000 1.043 54 T CA 1.208 63.237 62.100 -0.118 0.000 1.140 54 T CB -0.019 68.883 68.868 0.057 0.000 0.872 54 T HN 0.362 nan 8.240 nan 0.000 0.446 55 c N 0.820 119.214 118.600 -0.343 0.000 2.791 55 c HA 0.478 5.048 4.570 -0.000 0.000 0.288 55 c C 1.879 175.444 174.090 -0.875 0.000 1.271 55 c CA -1.139 54.837 56.329 -0.588 0.000 1.726 55 c CB -0.927 41.235 42.510 -0.580 0.000 2.145 55 c HN 0.594 nan 8.230 nan 0.000 0.572 56 G N 0.000 108.472 108.800 -0.546 0.000 0.000 56 G HA2 0.000 3.960 3.960 -0.000 0.000 0.000 56 G HA3 0.000 3.960 3.960 -0.000 0.000 0.000 56 G CA 0.000 44.890 45.100 -0.350 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000