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 2htm_1_E DATA FIRST_RESID 2 DATA SEQUENCE VWLNGEPRPL EGKTLKEVLE EXGVELKGVA VLLNEEAFLG LEVPDRPLRD DATA SEQUENCE GDVVEVVALX QGG 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.941 176.094 -0.255 0.000 1.182 2 V CA 0.000 62.213 62.300 -0.144 0.000 1.235 2 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 3 W N 4.378 125.682 121.300 0.008 0.000 2.358 3 W HA 0.679 5.338 4.660 -0.001 0.000 0.307 3 W C -0.265 176.260 176.519 0.010 0.000 1.203 3 W CA -0.189 57.161 57.345 0.008 0.000 1.279 3 W CB 1.125 30.590 29.460 0.009 0.000 1.264 3 W HN 0.384 nan 8.180 nan 0.000 0.474 4 L N 5.970 127.294 121.223 0.169 0.000 2.295 4 L HA 0.384 4.723 4.340 -0.001 0.000 0.281 4 L C 0.011 176.954 176.870 0.121 0.000 1.018 4 L CA -0.558 54.350 54.840 0.114 0.000 0.841 4 L CB 0.334 42.421 42.059 0.045 0.000 1.218 4 L HN 0.530 nan 8.230 nan 0.000 0.424 5 N N 4.248 123.018 118.700 0.117 0.000 2.721 5 N HA -0.206 4.533 4.740 -0.001 0.000 0.249 5 N C 0.959 176.539 175.510 0.116 0.000 1.072 5 N CA 1.454 54.561 53.050 0.094 0.000 0.710 5 N CB -1.228 37.299 38.487 0.066 0.000 0.993 5 N HN 1.144 nan 8.380 nan 0.000 0.547 6 G N -2.076 106.832 108.800 0.181 0.000 2.176 6 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.253 6 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.253 6 G C -0.439 174.668 174.900 0.344 0.000 0.979 6 G CA 0.392 45.618 45.100 0.210 0.000 0.641 6 G HN 0.405 nan 8.290 nan 0.000 0.530 7 E N 1.059 121.429 120.200 0.284 0.000 2.187 7 E HA 0.439 4.788 4.350 -0.001 0.000 0.268 7 E C -2.696 173.903 176.600 -0.002 0.000 0.896 7 E CA -2.176 54.332 56.400 0.180 0.000 0.766 7 E CB 2.351 32.096 29.700 0.075 0.000 1.142 7 E HN 0.180 nan 8.360 nan 0.000 0.408 8 P HA 0.157 nan 4.420 nan 0.000 0.270 8 P C -0.324 176.768 177.300 -0.346 0.000 1.242 8 P CA -0.165 62.519 63.100 -0.693 0.000 0.768 8 P CB 0.659 31.873 31.700 -0.810 0.000 0.820 9 R N 4.412 124.728 120.500 -0.306 0.000 2.795 9 R HA 0.428 4.767 4.340 -0.001 0.000 0.275 9 R C -2.426 173.776 176.300 -0.162 0.000 0.981 9 R CA -2.417 53.579 56.100 -0.175 0.000 0.917 9 R CB 1.406 31.644 30.300 -0.103 0.000 1.202 9 R HN 0.267 nan 8.270 nan 0.000 0.469 10 P HA 0.194 nan 4.420 nan 0.000 0.218 10 P C 0.332 177.591 177.300 -0.069 0.000 1.793 10 P CA 0.096 63.141 63.100 -0.092 0.000 0.941 10 P CB -0.066 31.592 31.700 -0.071 0.000 1.919 11 L N -0.903 120.277 121.223 -0.072 0.000 2.529 11 L HA 0.137 4.476 4.340 -0.001 0.000 0.223 11 L C 1.341 178.190 176.870 -0.036 0.000 1.113 11 L CA 0.047 54.859 54.840 -0.047 0.000 0.861 11 L CB -0.187 41.848 42.059 -0.040 0.000 1.012 11 L HN 0.204 nan 8.230 nan 0.000 0.461 12 E N 0.874 121.049 120.200 -0.040 0.000 2.694 12 E HA 0.031 4.380 4.350 -0.001 0.000 0.250 12 E C 1.032 177.619 176.600 -0.022 0.000 0.963 12 E CA 0.931 57.314 56.400 -0.027 0.000 0.949 12 E CB 0.249 29.932 29.700 -0.028 0.000 0.911 12 E HN 0.373 nan 8.360 nan 0.000 0.500 13 G N 4.020 112.810 108.800 -0.017 0.000 2.278 13 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.210 13 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.210 13 G C 0.083 174.973 174.900 -0.017 0.000 1.000 13 G CA 0.062 45.152 45.100 -0.016 0.000 0.635 13 G HN 0.515 nan 8.290 nan 0.000 0.495 14 K N 0.744 121.133 120.400 -0.018 0.000 2.109 14 K HA 0.656 4.976 4.320 -0.001 0.000 0.243 14 K C -0.050 176.538 176.600 -0.020 0.000 1.006 14 K CA -0.212 56.064 56.287 -0.019 0.000 0.917 14 K CB 1.065 33.554 32.500 -0.019 0.000 1.081 14 K HN 0.099 nan 8.250 nan 0.000 0.468 15 T N 1.056 115.596 114.554 -0.023 0.000 2.944 15 T HA 0.221 4.570 4.350 -0.001 0.000 0.284 15 T C 1.668 176.350 174.700 -0.030 0.000 1.010 15 T CA -0.673 61.409 62.100 -0.030 0.000 1.025 15 T CB 0.810 69.657 68.868 -0.034 0.000 1.079 15 T HN 0.416 nan 8.240 nan 0.000 0.516 16 L N 0.969 122.168 121.223 -0.041 0.000 1.990 16 L HA -0.171 4.169 4.340 -0.001 0.000 0.213 16 L C 2.725 179.577 176.870 -0.029 0.000 1.072 16 L CA 1.394 56.213 54.840 -0.035 0.000 0.755 16 L CB -0.492 41.530 42.059 -0.061 0.000 0.889 16 L HN 0.602 nan 8.230 nan 0.000 0.432 17 K N 0.231 120.609 120.400 -0.037 0.000 2.074 17 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 17 K C 1.928 178.516 176.600 -0.019 0.000 1.048 17 K CA 1.560 57.830 56.287 -0.027 0.000 0.926 17 K CB -0.325 32.156 32.500 -0.031 0.000 0.713 17 K HN 0.457 nan 8.250 nan 0.000 0.444 18 E N 0.360 120.548 120.200 -0.020 0.000 2.058 18 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 18 E C 2.091 178.683 176.600 -0.013 0.000 0.997 18 E CA 1.205 57.595 56.400 -0.016 0.000 0.801 18 E CB 0.001 29.691 29.700 -0.017 0.000 0.746 18 E HN -0.006 nan 8.360 nan 0.000 0.450 19 V N 1.182 121.088 119.914 -0.012 0.000 2.358 19 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 19 V C 2.264 178.355 176.094 -0.004 0.000 1.047 19 V CA 1.310 63.605 62.300 -0.008 0.000 1.035 19 V CB -0.332 31.487 31.823 -0.006 0.000 0.658 19 V HN 0.260 nan 8.190 nan 0.000 0.452 20 L N -0.223 120.997 121.223 -0.004 0.000 2.201 20 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 20 L C 2.584 179.453 176.870 -0.001 0.000 1.105 20 L CA 1.504 56.344 54.840 0.000 0.000 0.775 20 L CB -0.368 41.691 42.059 0.000 0.000 0.913 20 L HN 0.432 nan 8.230 nan 0.000 0.440 21 E N 0.328 120.525 120.200 -0.005 0.000 2.028 21 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 21 E C 0.744 177.342 176.600 -0.004 0.000 0.984 21 E CA 0.435 56.832 56.400 -0.004 0.000 0.800 21 E CB 0.170 29.865 29.700 -0.007 0.000 0.758 21 E HN 0.461 nan 8.360 nan 0.000 0.448 25 V N -0.748 119.169 119.914 0.005 0.000 2.617 25 V HA 0.785 4.904 4.120 -0.001 0.000 0.298 25 V C 0.311 176.409 176.094 0.007 0.000 1.048 25 V CA -1.069 61.235 62.300 0.007 0.000 0.964 25 V CB 1.627 33.456 31.823 0.010 0.000 1.004 25 V HN 0.504 nan 8.190 nan 0.000 0.466 26 E N 3.605 123.810 120.200 0.008 0.000 2.344 26 E HA 0.202 4.551 4.350 -0.001 0.000 0.270 26 E C 0.178 176.784 176.600 0.011 0.000 1.021 26 E CA -0.417 55.988 56.400 0.008 0.000 0.887 26 E CB 1.175 30.880 29.700 0.008 0.000 0.997 26 E HN 0.720 nan 8.360 nan 0.000 0.429 27 L N 3.419 124.648 121.223 0.010 0.000 2.240 27 L HA -0.111 4.228 4.340 -0.001 0.000 0.211 27 L C 2.360 179.241 176.870 0.018 0.000 1.106 27 L CA 1.219 56.067 54.840 0.014 0.000 0.793 27 L CB -0.448 41.617 42.059 0.010 0.000 0.927 27 L HN 0.697 nan 8.230 nan 0.000 0.446 28 K N 0.130 120.539 120.400 0.015 0.000 2.525 28 K HA 0.013 4.333 4.320 -0.001 0.000 0.192 28 K C 1.470 178.080 176.600 0.017 0.000 1.029 28 K CA 1.010 57.307 56.287 0.017 0.000 1.029 28 K CB 0.073 32.581 32.500 0.013 0.000 0.814 28 K HN 0.166 nan 8.250 nan 0.000 0.503 29 G N 1.192 110.002 108.800 0.017 0.000 2.848 29 G HA2 0.127 4.086 3.960 -0.001 0.000 0.213 29 G HA3 0.127 4.086 3.960 -0.001 0.000 0.213 29 G C 0.240 175.152 174.900 0.019 0.000 1.101 29 G CA 0.213 45.322 45.100 0.016 0.000 0.778 29 G HN 0.200 nan 8.290 nan 0.000 0.536 30 V N -1.605 118.323 119.914 0.023 0.000 2.713 30 V HA 0.899 5.018 4.120 -0.001 0.000 0.307 30 V C -0.194 175.922 176.094 0.038 0.000 1.052 30 V CA -1.009 61.308 62.300 0.028 0.000 0.967 30 V CB 1.437 33.276 31.823 0.027 0.000 1.019 30 V HN 0.370 nan 8.190 nan 0.000 0.459 31 A N 3.423 126.267 122.820 0.041 0.000 2.337 31 A HA 0.863 5.182 4.320 -0.001 0.000 0.329 31 A C -0.642 176.984 177.584 0.070 0.000 1.146 31 A CA -0.705 51.365 52.037 0.056 0.000 0.800 31 A CB 1.733 20.758 19.000 0.041 0.000 1.220 31 A HN 1.240 nan 8.150 nan 0.000 0.472 32 V N 2.495 122.476 119.914 0.111 0.000 2.459 32 V HA 0.446 4.565 4.120 -0.001 0.000 0.295 32 V C -0.745 175.449 176.094 0.166 0.000 1.029 32 V CA -0.465 61.912 62.300 0.128 0.000 0.874 32 V CB 1.394 33.295 31.823 0.130 0.000 0.985 32 V HN 0.787 nan 8.190 nan 0.000 0.438 33 L N 6.060 127.356 121.223 0.120 0.000 2.305 33 L HA 0.651 4.990 4.340 -0.001 0.000 0.284 33 L C -0.861 176.090 176.870 0.134 0.000 1.013 33 L CA -0.300 54.605 54.840 0.109 0.000 0.819 33 L CB 1.387 43.477 42.059 0.053 0.000 1.227 33 L HN 0.628 nan 8.230 nan 0.000 0.417 34 L N 5.898 127.232 121.223 0.185 0.000 2.324 34 L HA 0.536 4.876 4.340 -0.001 0.000 0.274 34 L C -0.267 176.678 176.870 0.124 0.000 1.012 34 L CA 0.113 55.050 54.840 0.162 0.000 0.859 34 L CB 0.208 42.390 42.059 0.205 0.000 1.224 34 L HN 0.727 nan 8.230 nan 0.000 0.429 35 N N 3.768 122.520 118.700 0.086 0.000 2.727 35 N HA -0.236 4.503 4.740 -0.001 0.000 0.251 35 N C 0.401 175.935 175.510 0.040 0.000 1.040 35 N CA 1.158 54.244 53.050 0.060 0.000 0.712 35 N CB -0.507 38.020 38.487 0.067 0.000 0.912 35 N HN 0.785 nan 8.380 nan 0.000 0.545 36 E N -1.743 118.472 120.200 0.025 0.000 3.916 36 E HA -0.221 4.128 4.350 -0.001 0.000 0.331 36 E C -0.550 176.033 176.600 -0.028 0.000 0.729 36 E CA 1.505 57.903 56.400 -0.003 0.000 1.222 36 E CB -0.884 28.811 29.700 -0.008 0.000 1.633 36 E HN 0.724 nan 8.360 nan 0.000 0.437 37 E N -0.294 119.902 120.200 -0.008 0.000 2.134 37 E HA 0.565 4.915 4.350 -0.001 0.000 0.278 37 E C -0.452 176.012 176.600 -0.227 0.000 0.959 37 E CA 0.093 56.421 56.400 -0.120 0.000 0.783 37 E CB 1.280 30.970 29.700 -0.017 0.000 1.095 37 E HN 0.243 nan 8.360 nan 0.000 0.399 38 A N 4.190 126.778 122.820 -0.387 0.000 2.289 38 A HA 0.575 4.894 4.320 -0.001 0.000 0.298 38 A C -1.029 176.244 177.584 -0.517 0.000 1.208 38 A CA -0.230 51.635 52.037 -0.287 0.000 0.845 38 A CB 0.075 18.971 19.000 -0.174 0.000 1.125 38 A HN 0.480 nan 8.150 nan 0.000 0.517 39 F N 0.949 120.903 119.950 0.007 0.000 2.576 39 F HA 0.510 5.037 4.527 -0.000 0.000 0.313 39 F C 0.056 175.860 175.800 0.007 0.000 1.078 39 F CA -0.643 57.361 58.000 0.007 0.000 0.921 39 F CB 1.822 40.827 39.000 0.008 0.000 1.232 39 F HN 0.430 nan 8.300 nan 0.000 0.459 40 L N 1.764 123.124 121.223 0.228 0.000 2.417 40 L HA 0.313 4.652 4.340 -0.001 0.000 0.268 40 L C 1.551 178.488 176.870 0.111 0.000 1.158 40 L CA -0.033 54.884 54.840 0.128 0.000 0.819 40 L CB 0.395 42.510 42.059 0.093 0.000 1.112 40 L HN 0.940 nan 8.230 nan 0.000 0.458 41 G N 2.713 111.556 108.800 0.071 0.000 2.475 41 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 41 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 41 G C 1.194 176.111 174.900 0.029 0.000 1.125 41 G CA 0.536 45.663 45.100 0.047 0.000 0.755 41 G HN 0.570 nan 8.290 nan 0.000 0.565 42 L N -0.359 120.883 121.223 0.033 0.000 2.591 42 L HA 0.212 4.551 4.340 -0.001 0.000 0.228 42 L C 1.820 178.700 176.870 0.018 0.000 1.133 42 L CA 0.390 55.242 54.840 0.020 0.000 0.880 42 L CB 0.184 42.256 42.059 0.021 0.000 1.033 42 L HN 0.244 nan 8.230 nan 0.000 0.450 43 E N -0.154 120.067 120.200 0.034 0.000 2.660 43 E HA 0.086 4.435 4.350 -0.001 0.000 0.216 43 E C 0.089 176.656 176.600 -0.055 0.000 0.986 43 E CA -0.176 56.244 56.400 0.032 0.000 1.037 43 E CB 1.058 30.824 29.700 0.110 0.000 1.041 43 E HN 0.196 nan 8.360 nan 0.000 0.480 44 V N 0.597 120.454 119.914 -0.095 0.000 2.788 44 V HA 0.085 4.204 4.120 -0.001 0.000 0.307 44 V C -2.336 173.547 176.094 -0.350 0.000 1.069 44 V CA -1.610 60.528 62.300 -0.269 0.000 1.173 44 V CB -0.441 31.301 31.823 -0.136 0.000 0.925 44 V HN -0.077 nan 8.190 nan 0.000 0.492 45 P HA 0.140 nan 4.420 nan 0.000 0.266 45 P C -0.163 177.008 177.300 -0.215 0.000 1.195 45 P CA 0.081 62.932 63.100 -0.414 0.000 0.768 45 P CB 0.291 31.707 31.700 -0.473 0.000 0.838 46 D N 1.688 122.004 120.400 -0.140 0.000 2.352 46 D HA 0.016 4.655 4.640 -0.001 0.000 0.236 46 D C 0.730 176.989 176.300 -0.069 0.000 1.148 46 D CA 0.158 54.105 54.000 -0.088 0.000 0.844 46 D CB -0.032 40.730 40.800 -0.063 0.000 0.933 46 D HN 0.410 nan 8.370 nan 0.000 0.507 47 R N 1.276 121.728 120.500 -0.080 0.000 2.357 47 R HA 0.391 4.730 4.340 -0.001 0.000 0.296 47 R C -2.790 173.486 176.300 -0.041 0.000 1.052 47 R CA -1.270 54.799 56.100 -0.051 0.000 0.988 47 R CB 0.434 30.706 30.300 -0.047 0.000 1.025 47 R HN -0.275 nan 8.270 nan 0.000 0.469 48 P HA 0.041 nan 4.420 nan 0.000 0.271 48 P C -0.470 176.822 177.300 -0.013 0.000 1.216 48 P CA -0.235 62.853 63.100 -0.020 0.000 0.771 48 P CB 0.577 32.268 31.700 -0.016 0.000 0.864 49 L N 3.172 124.388 121.223 -0.011 0.000 2.483 49 L HA 0.163 4.503 4.340 -0.001 0.000 0.275 49 L C 1.351 178.223 176.870 0.003 0.000 1.220 49 L CA 0.277 55.117 54.840 -0.001 0.000 0.833 49 L CB 0.129 42.187 42.059 -0.003 0.000 1.102 49 L HN 0.342 nan 8.230 nan 0.000 0.490 50 R N 0.684 121.193 120.500 0.015 0.000 2.732 50 R HA 0.177 4.517 4.340 -0.001 0.000 0.278 50 R C -0.868 175.445 176.300 0.021 0.000 0.976 50 R CA -0.981 55.129 56.100 0.017 0.000 0.963 50 R CB 1.416 31.732 30.300 0.027 0.000 1.150 50 R HN 0.484 nan 8.270 nan 0.000 0.478 51 D N 0.813 121.221 120.400 0.014 0.000 2.368 51 D HA 0.090 4.729 4.640 -0.001 0.000 0.268 51 D C 0.800 177.131 176.300 0.051 0.000 1.298 51 D CA 1.570 55.578 54.000 0.013 0.000 0.938 51 D CB 0.332 41.135 40.800 0.005 0.000 1.101 51 D HN 0.740 nan 8.370 nan 0.000 0.509 52 G N 3.695 112.546 108.800 0.085 0.000 2.296 52 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.188 52 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.188 52 G C 0.117 175.135 174.900 0.197 0.000 1.000 52 G CA -0.260 44.941 45.100 0.170 0.000 0.672 52 G HN 0.558 nan 8.290 nan 0.000 0.483 53 D N 0.558 121.041 120.400 0.138 0.000 2.472 53 D HA 0.375 5.014 4.640 -0.001 0.000 0.237 53 D C 0.353 176.780 176.300 0.211 0.000 1.141 53 D CA 0.512 54.593 54.000 0.135 0.000 0.875 53 D CB 1.755 42.608 40.800 0.088 0.000 1.192 53 D HN 0.137 nan 8.370 nan 0.000 0.450 54 V N 3.411 123.427 119.914 0.169 0.000 2.313 54 V HA 0.178 4.297 4.120 -0.001 0.000 0.278 54 V C 0.115 176.289 176.094 0.134 0.000 1.017 54 V CA -0.681 61.727 62.300 0.181 0.000 0.823 54 V CB 1.614 33.488 31.823 0.085 0.000 1.010 54 V HN 0.210 nan 8.190 nan 0.000 0.443 55 V N 5.120 125.123 119.914 0.148 0.000 2.398 55 V HA 0.518 4.637 4.120 -0.001 0.000 0.286 55 V C -0.116 176.037 176.094 0.098 0.000 1.026 55 V CA -0.604 61.761 62.300 0.109 0.000 0.868 55 V CB 1.744 33.621 31.823 0.090 0.000 0.982 55 V HN 0.752 nan 8.190 nan 0.000 0.443 56 E N 3.655 123.904 120.200 0.081 0.000 2.187 56 E HA 0.517 4.866 4.350 -0.001 0.000 0.268 56 E C -1.179 175.458 176.600 0.062 0.000 0.896 56 E CA -0.567 55.872 56.400 0.066 0.000 0.766 56 E CB 2.580 32.310 29.700 0.051 0.000 1.142 56 E HN 0.361 nan 8.360 nan 0.000 0.408 57 V N 3.283 123.228 119.914 0.052 0.000 2.326 57 V HA 0.292 4.411 4.120 -0.001 0.000 0.281 57 V C 0.070 176.186 176.094 0.037 0.000 1.015 57 V CA -0.826 61.502 62.300 0.046 0.000 0.823 57 V CB 1.251 33.098 31.823 0.040 0.000 1.009 57 V HN 0.486 nan 8.190 nan 0.000 0.436 58 V N 2.241 122.177 119.914 0.036 0.000 2.815 58 V HA 1.084 5.204 4.120 -0.001 0.000 0.314 58 V C -0.068 176.040 176.094 0.025 0.000 1.064 58 V CA -0.631 61.686 62.300 0.027 0.000 0.952 58 V CB 1.803 33.640 31.823 0.024 0.000 1.020 58 V HN 0.983 nan 8.190 nan 0.000 0.439 59 A N 3.357 126.188 122.820 0.019 0.000 2.515 59 A HA 0.861 5.180 4.320 -0.001 0.000 0.296 59 A C -0.496 177.096 177.584 0.013 0.000 1.094 59 A CA -1.009 51.038 52.037 0.017 0.000 0.718 59 A CB 1.461 20.470 19.000 0.016 0.000 1.307 59 A HN 1.033 nan 8.150 nan 0.000 0.408 63 G N -0.455 108.347 108.800 0.003 0.000 2.345 63 G HA2 0.518 4.478 3.960 -0.001 0.000 0.310 63 G HA3 0.518 4.478 3.960 -0.001 0.000 0.310 63 G C -0.855 174.046 174.900 0.001 0.000 1.476 63 G CA 0.240 45.341 45.100 0.002 0.000 0.978 63 G HN 1.099 nan 8.290 nan 0.000 0.656 64 G N 0.000 108.800 108.800 0.001 0.000 5.446 64 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 64 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 64 G CA 0.000 45.100 45.100 0.000 0.000 0.502 64 G HN 0.000 nan 8.290 nan 0.000 0.925