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 3lwi_1_B DATA FIRST_RESID 3 DATA SEQUENCE SGKKPVKVKT PAGKEAELVP EKVWALAPKG RKGVKIGLFK DPETGKYFRH DATA SEQUENCE KLPDDYPI 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.637 174.600 0.062 0.000 1.055 3 S CA 0.000 58.224 58.200 0.040 0.000 1.107 3 S CB 0.000 63.215 63.200 0.024 0.000 0.593 4 G N 0.514 109.354 108.800 0.066 0.000 2.580 4 G HA2 0.591 4.552 3.960 0.002 0.000 0.278 4 G HA3 0.591 4.552 3.960 0.002 0.000 0.278 4 G C -0.003 174.965 174.900 0.113 0.000 1.212 4 G CA -0.612 44.584 45.100 0.159 0.000 0.939 4 G HN 0.754 nan 8.290 nan 0.000 0.513 5 K N -0.856 119.623 120.400 0.131 0.000 2.448 5 K HA 0.142 4.463 4.320 0.002 0.000 0.220 5 K C 0.769 177.421 176.600 0.087 0.000 1.259 5 K CA -0.011 56.313 56.287 0.061 0.000 0.810 5 K CB 0.222 32.720 32.500 -0.004 0.000 1.540 5 K HN 0.561 nan 8.250 nan 0.000 0.434 6 K N 3.566 124.018 120.400 0.088 0.000 2.237 6 K HA 0.222 4.543 4.320 0.002 0.000 0.270 6 K C -2.586 174.156 176.600 0.236 0.000 1.015 6 K CA -1.690 54.666 56.287 0.116 0.000 0.949 6 K CB 0.336 32.861 32.500 0.042 0.000 0.976 6 K HN -0.086 nan 8.250 nan 0.000 0.472 7 P HA -0.019 nan 4.420 nan 0.000 0.271 7 P C -0.615 176.799 177.300 0.190 0.000 1.233 7 P CA -0.408 62.789 63.100 0.161 0.000 0.789 7 P CB 0.606 32.364 31.700 0.097 0.000 0.951 8 V N 1.703 121.706 119.914 0.148 0.000 2.656 8 V HA 0.230 4.351 4.120 0.002 0.000 0.307 8 V C 0.383 176.443 176.094 -0.056 0.000 1.051 8 V CA -0.957 61.386 62.300 0.072 0.000 0.893 8 V CB 1.937 33.806 31.823 0.077 0.000 0.999 8 V HN 0.384 nan 8.190 nan 0.000 0.426 9 K N 3.203 123.566 120.400 -0.061 0.000 2.336 9 K HA 0.387 4.708 4.320 0.002 0.000 0.290 9 K C -0.728 175.731 176.600 -0.235 0.000 1.067 9 K CA 0.056 56.282 56.287 -0.102 0.000 0.962 9 K CB 1.117 33.591 32.500 -0.042 0.000 1.008 9 K HN 0.385 nan 8.250 nan 0.000 0.467 10 V N 3.315 123.033 119.914 -0.327 0.000 2.735 10 V HA 0.223 4.344 4.120 0.002 0.000 0.310 10 V C -0.201 175.696 176.094 -0.328 0.000 1.061 10 V CA -0.954 60.985 62.300 -0.602 0.000 0.913 10 V CB 2.342 33.656 31.823 -0.847 0.000 1.005 10 V HN 0.582 nan 8.190 nan 0.000 0.428 11 K N 2.843 123.096 120.400 -0.245 0.000 2.234 11 K HA 0.453 4.774 4.320 0.002 0.000 0.277 11 K C 0.168 176.649 176.600 -0.198 0.000 1.038 11 K CA -0.320 55.897 56.287 -0.117 0.000 0.888 11 K CB 1.178 33.673 32.500 -0.007 0.000 1.091 11 K HN 0.925 nan 8.250 nan 0.000 0.467 12 T N 1.406 115.784 114.554 -0.295 0.000 2.868 12 T HA 0.207 4.558 4.350 0.002 0.000 0.292 12 T C -1.783 172.618 174.700 -0.499 0.000 1.028 12 T CA -1.562 60.181 62.100 -0.595 0.000 1.059 12 T CB 0.998 69.619 68.868 -0.412 0.000 0.991 12 T HN 0.337 nan 8.240 nan 0.000 0.531 13 P HA -0.029 nan 4.420 nan 0.000 0.215 13 P C 1.570 178.746 177.300 -0.206 0.000 1.153 13 P CA 1.411 64.312 63.100 -0.333 0.000 0.853 13 P CB -0.339 31.182 31.700 -0.298 0.000 0.788 14 A N -1.042 121.655 122.820 -0.206 0.000 2.225 14 A HA 0.214 4.535 4.320 0.002 0.000 0.215 14 A C 1.731 179.249 177.584 -0.109 0.000 1.164 14 A CA 1.368 53.329 52.037 -0.128 0.000 0.710 14 A CB -1.474 17.461 19.000 -0.109 0.000 0.780 14 A HN 0.303 nan 8.150 nan 0.000 0.473 15 G N -1.628 107.093 108.800 -0.131 0.000 2.144 15 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 15 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 15 G C 0.030 174.878 174.900 -0.086 0.000 0.988 15 G CA 0.326 45.368 45.100 -0.097 0.000 0.659 15 G HN 0.565 nan 8.290 nan 0.000 0.522 16 K N 0.613 120.952 120.400 -0.102 0.000 2.207 16 K HA 0.468 4.789 4.320 0.002 0.000 0.255 16 K C -0.208 176.339 176.600 -0.088 0.000 0.941 16 K CA -0.854 55.384 56.287 -0.081 0.000 0.825 16 K CB 1.254 33.713 32.500 -0.069 0.000 1.119 16 K HN 0.083 nan 8.250 nan 0.000 0.430 17 E N 1.515 121.675 120.200 -0.068 0.000 2.324 17 E HA 0.229 4.580 4.350 0.002 0.000 0.271 17 E C -0.718 175.843 176.600 -0.066 0.000 1.028 17 E CA -0.018 56.341 56.400 -0.070 0.000 0.890 17 E CB 1.377 31.047 29.700 -0.050 0.000 1.004 17 E HN 0.621 nan 8.360 nan 0.000 0.431 18 A N 3.484 126.254 122.820 -0.083 0.000 2.515 18 A HA 0.492 4.813 4.320 0.002 0.000 0.296 18 A C -0.660 176.883 177.584 -0.068 0.000 1.094 18 A CA -0.721 51.280 52.037 -0.060 0.000 0.718 18 A CB 1.516 20.490 19.000 -0.044 0.000 1.307 18 A HN 0.515 nan 8.150 nan 0.000 0.408 19 E N 1.067 121.249 120.200 -0.030 0.000 2.114 19 E HA 0.535 4.886 4.350 0.002 0.000 0.266 19 E C -1.548 175.069 176.600 0.029 0.000 0.896 19 E CA -0.163 56.230 56.400 -0.011 0.000 0.750 19 E CB 1.379 31.083 29.700 0.006 0.000 1.121 19 E HN 0.509 nan 8.360 nan 0.000 0.413 20 L N 2.500 123.758 121.223 0.059 0.000 2.386 20 L HA 0.432 4.773 4.340 0.002 0.000 0.271 20 L C -0.288 176.729 176.870 0.245 0.000 0.993 20 L CA -1.173 53.759 54.840 0.153 0.000 0.819 20 L CB 2.232 44.420 42.059 0.214 0.000 1.294 20 L HN 0.252 nan 8.230 nan 0.000 0.414 21 V N 5.119 125.129 119.914 0.160 0.000 2.432 21 V HA 0.421 4.542 4.120 0.002 0.000 0.271 21 V C -1.945 174.135 176.094 -0.024 0.000 1.046 21 V CA -1.429 60.935 62.300 0.107 0.000 0.945 21 V CB 1.052 32.921 31.823 0.078 0.000 0.992 21 V HN 0.564 nan 8.190 nan 0.000 0.471 22 P HA 0.217 nan 4.420 nan 0.000 0.271 22 P C 0.253 177.358 177.300 -0.326 0.000 1.218 22 P CA -0.015 62.630 63.100 -0.758 0.000 0.780 22 P CB 0.995 32.031 31.700 -1.108 0.000 0.901 23 E N 0.957 120.997 120.200 -0.267 0.000 2.170 23 E HA -0.013 4.338 4.350 0.002 0.000 0.191 23 E C 0.224 176.804 176.600 -0.033 0.000 0.981 23 E CA 0.918 57.273 56.400 -0.076 0.000 0.830 23 E CB 0.163 29.877 29.700 0.022 0.000 0.775 23 E HN 0.408 nan 8.360 nan 0.000 0.470 24 K N 0.660 121.040 120.400 -0.034 0.000 2.498 24 K HA 0.384 4.705 4.320 0.002 0.000 0.254 24 K C -0.745 175.939 176.600 0.139 0.000 0.933 24 K CA -0.646 55.706 56.287 0.109 0.000 0.806 24 K CB 2.731 35.347 32.500 0.193 0.000 1.301 24 K HN -0.055 nan 8.250 nan 0.000 0.432 25 V N -1.197 118.845 119.914 0.212 0.000 2.789 25 V HA 0.912 5.033 4.120 0.002 0.000 0.311 25 V C -1.542 174.767 176.094 0.358 0.000 1.073 25 V CA -0.736 61.633 62.300 0.114 0.000 0.921 25 V CB 1.593 33.431 31.823 0.025 0.000 1.009 25 V HN 0.977 nan 8.190 nan 0.000 0.426 26 W N 2.160 123.450 121.300 -0.015 0.000 3.066 26 W HA 0.914 5.576 4.660 0.003 0.000 0.330 26 W C -0.823 175.703 176.519 0.012 0.000 1.253 26 W CA -0.728 56.618 57.345 0.002 0.000 1.187 26 W CB 0.972 30.426 29.460 -0.009 0.000 1.434 26 W HN 0.910 nan 8.180 nan 0.000 0.572 27 A N 2.885 125.814 122.820 0.182 0.000 2.309 27 A HA 0.683 5.004 4.320 0.002 0.000 0.298 27 A C -1.303 176.370 177.584 0.149 0.000 1.165 27 A CA -0.745 51.337 52.037 0.074 0.000 0.821 27 A CB 0.834 19.885 19.000 0.086 0.000 1.102 27 A HN 0.906 nan 8.150 nan 0.000 0.500 28 L N 2.868 124.118 121.223 0.047 0.000 2.337 28 L HA 0.633 4.974 4.340 0.002 0.000 0.269 28 L C -0.224 176.680 176.870 0.057 0.000 1.018 28 L CA -0.153 54.746 54.840 0.098 0.000 0.876 28 L CB 0.738 42.825 42.059 0.047 0.000 1.236 28 L HN 0.862 nan 8.230 nan 0.000 0.436 29 A N 5.778 128.638 122.820 0.068 0.000 2.459 29 A HA 0.863 5.184 4.320 0.002 0.000 0.296 29 A C -2.638 174.971 177.584 0.043 0.000 1.039 29 A CA -0.884 51.180 52.037 0.044 0.000 0.698 29 A CB 1.494 20.517 19.000 0.037 0.000 1.261 29 A HN 0.481 nan 8.150 nan 0.000 0.405 30 P HA 0.376 nan 4.420 nan 0.000 0.276 30 P C -0.813 176.501 177.300 0.024 0.000 1.261 30 P CA -0.424 62.692 63.100 0.028 0.000 0.800 30 P CB 0.540 32.254 31.700 0.023 0.000 1.066 31 K N -0.008 120.404 120.400 0.020 0.000 2.416 31 K HA 0.344 4.665 4.320 0.002 0.000 0.283 31 K C 1.115 177.724 176.600 0.015 0.000 1.037 31 K CA 0.824 57.121 56.287 0.017 0.000 0.995 31 K CB -0.371 32.137 32.500 0.014 0.000 0.938 31 K HN 0.829 nan 8.250 nan 0.000 0.475 32 G N 2.721 111.529 108.800 0.014 0.000 2.176 32 G HA2 -0.288 3.673 3.960 0.002 0.000 0.253 32 G HA3 -0.288 3.673 3.960 0.002 0.000 0.253 32 G C -0.125 174.782 174.900 0.012 0.000 0.979 32 G CA -0.149 44.958 45.100 0.012 0.000 0.641 32 G HN 0.570 nan 8.290 nan 0.000 0.530 33 R N -0.668 119.840 120.500 0.013 0.000 2.795 33 R HA 0.574 4.915 4.340 0.002 0.000 0.275 33 R C 0.993 177.301 176.300 0.014 0.000 0.981 33 R CA -0.480 55.627 56.100 0.012 0.000 0.917 33 R CB 1.447 31.754 30.300 0.012 0.000 1.202 33 R HN 0.044 nan 8.270 nan 0.000 0.469 34 K N 1.242 121.649 120.400 0.012 0.000 2.097 34 K HA -0.104 4.217 4.320 0.002 0.000 0.206 34 K C 0.804 177.411 176.600 0.013 0.000 1.049 34 K CA 1.683 57.977 56.287 0.012 0.000 0.933 34 K CB -0.253 32.252 32.500 0.010 0.000 0.717 34 K HN 0.868 nan 8.250 nan 0.000 0.442 35 G N -0.067 108.739 108.800 0.010 0.000 2.601 35 G HA2 -0.302 3.659 3.960 0.002 0.000 0.252 35 G HA3 -0.302 3.659 3.960 0.002 0.000 0.252 35 G C -0.255 174.643 174.900 -0.004 0.000 1.294 35 G CA 0.089 45.194 45.100 0.008 0.000 0.912 35 G HN 0.664 nan 8.290 nan 0.000 0.574 36 V N -3.996 115.908 119.914 -0.016 0.000 3.160 36 V HA 0.906 5.027 4.120 0.002 0.000 0.310 36 V C -0.216 175.836 176.094 -0.071 0.000 1.181 36 V CA -1.075 61.201 62.300 -0.040 0.000 1.047 36 V CB 1.928 33.717 31.823 -0.057 0.000 1.068 36 V HN 0.958 nan 8.190 nan 0.000 0.441 37 K N 1.715 122.061 120.400 -0.091 0.000 2.159 37 K HA 0.709 5.030 4.320 0.002 0.000 0.266 37 K C -1.274 175.159 176.600 -0.279 0.000 0.975 37 K CA -0.626 55.567 56.287 -0.156 0.000 0.865 37 K CB 1.661 34.120 32.500 -0.069 0.000 1.087 37 K HN 0.515 nan 8.250 nan 0.000 0.446 38 I N 1.777 122.014 120.570 -0.555 0.000 2.474 38 I HA 0.360 4.531 4.170 0.002 0.000 0.294 38 I C 0.424 176.014 176.117 -0.878 0.000 1.005 38 I CA -0.548 60.308 61.300 -0.740 0.000 1.113 38 I CB 1.641 39.037 38.000 -1.006 0.000 1.289 38 I HN 0.697 nan 8.210 nan 0.000 0.436 39 G N 5.212 113.712 108.800 -0.501 0.000 2.416 39 G HA2 0.571 4.532 3.960 0.002 0.000 0.329 39 G HA3 0.571 4.532 3.960 0.002 0.000 0.329 39 G C -1.412 173.221 174.900 -0.444 0.000 1.173 39 G CA -0.457 44.304 45.100 -0.566 0.000 0.929 39 G HN 0.420 nan 8.290 nan 0.000 0.475 40 L N 1.938 122.931 121.223 -0.383 0.000 2.264 40 L HA 0.753 5.094 4.340 0.002 0.000 0.289 40 L C -1.313 175.297 176.870 -0.433 0.000 1.044 40 L CA -0.726 54.032 54.840 -0.137 0.000 0.807 40 L CB 0.094 42.256 42.059 0.172 0.000 1.192 40 L HN 0.342 nan 8.230 nan 0.000 0.425 41 F N 3.596 123.327 119.950 -0.364 0.000 2.556 41 F HA 0.573 5.100 4.527 0.000 0.000 0.327 41 F C -0.055 175.473 175.800 -0.453 0.000 1.059 41 F CA -0.773 56.898 58.000 -0.548 0.000 0.953 41 F CB 1.691 40.023 39.000 -1.114 0.000 1.227 41 F HN 0.322 nan 8.300 nan 0.000 0.478 42 K N 1.400 121.734 120.400 -0.109 0.000 2.358 42 K HA 0.204 4.525 4.320 0.002 0.000 0.260 42 K C -1.230 175.434 176.600 0.107 0.000 0.956 42 K CA -0.671 55.499 56.287 -0.195 0.000 0.834 42 K CB 0.933 33.151 32.500 -0.470 0.000 1.102 42 K HN 0.497 nan 8.250 nan 0.000 0.431 43 D N 5.761 126.326 120.400 0.275 0.000 2.382 43 D HA 0.045 4.686 4.640 0.002 0.000 0.259 43 D C -1.728 174.605 176.300 0.054 0.000 1.224 43 D CA -2.023 52.103 54.000 0.210 0.000 0.894 43 D CB 1.514 42.371 40.800 0.095 0.000 1.127 43 D HN 0.351 nan 8.370 nan 0.000 0.487 44 P HA -0.057 nan 4.420 nan 0.000 0.221 44 P C 0.940 178.240 177.300 -0.000 0.000 1.150 44 P CA 0.801 63.907 63.100 0.010 0.000 0.800 44 P CB 0.514 32.224 31.700 0.016 0.000 0.787 45 E N -0.366 119.833 120.200 -0.003 0.000 2.001 45 E HA -0.126 4.225 4.350 0.002 0.000 0.193 45 E C 1.991 178.586 176.600 -0.009 0.000 0.994 45 E CA 2.105 58.499 56.400 -0.010 0.000 0.815 45 E CB -0.795 28.893 29.700 -0.021 0.000 0.770 45 E HN 0.311 nan 8.360 nan 0.000 0.453 46 T N -2.620 111.928 114.554 -0.010 0.000 3.023 46 T HA 0.104 4.456 4.350 0.002 0.000 0.266 46 T C 1.603 176.306 174.700 0.005 0.000 1.093 46 T CA 0.817 62.915 62.100 -0.003 0.000 1.129 46 T CB 0.178 69.043 68.868 -0.005 0.000 0.899 46 T HN 0.413 nan 8.240 nan 0.000 0.491 47 G N 1.393 110.189 108.800 -0.007 0.000 2.162 47 G HA2 -0.243 3.718 3.960 0.002 0.000 0.260 47 G HA3 -0.243 3.718 3.960 0.002 0.000 0.260 47 G C 0.018 174.893 174.900 -0.042 0.000 0.976 47 G CA 0.306 45.388 45.100 -0.030 0.000 0.655 47 G HN 0.665 nan 8.290 nan 0.000 0.533 48 K N -0.571 119.837 120.400 0.013 0.000 2.087 48 K HA 0.575 4.896 4.320 0.002 0.000 0.255 48 K C -0.395 176.278 176.600 0.123 0.000 0.988 48 K CA -0.641 55.706 56.287 0.100 0.000 0.915 48 K CB 1.020 33.598 32.500 0.131 0.000 1.043 48 K HN 0.173 nan 8.250 nan 0.000 0.457 49 Y N 0.952 121.380 120.300 0.214 0.000 2.376 49 Y HA 0.361 4.913 4.550 0.003 0.000 0.325 49 Y C 0.004 176.126 175.900 0.369 0.000 1.199 49 Y CA -0.442 57.797 58.100 0.232 0.000 1.206 49 Y CB 0.880 39.412 38.460 0.121 0.000 1.229 49 Y HN 0.467 nan 8.280 nan 0.000 0.480 50 F N -1.257 118.875 119.950 0.305 0.000 2.693 50 F HA 0.751 5.278 4.527 -0.000 0.000 0.309 50 F C -1.526 174.462 175.800 0.314 0.000 1.129 50 F CA -1.881 56.266 58.000 0.245 0.000 0.948 50 F CB 1.304 40.401 39.000 0.161 0.000 1.315 50 F HN 0.271 nan 8.300 nan 0.000 0.447 51 R N 0.786 121.472 120.500 0.309 0.000 2.540 51 R HA 0.633 4.974 4.340 0.002 0.000 0.287 51 R C -1.597 174.886 176.300 0.305 0.000 0.980 51 R CA -1.004 55.230 56.100 0.223 0.000 0.966 51 R CB 1.557 31.959 30.300 0.171 0.000 1.106 51 R HN 0.929 nan 8.270 nan 0.000 0.480 52 H N 0.012 119.167 119.070 0.142 0.000 3.038 52 H HA 0.189 4.747 4.556 0.003 0.000 0.362 52 H C -1.175 174.162 175.328 0.016 0.000 1.167 52 H CA -0.775 55.320 56.048 0.079 0.000 1.197 52 H CB 1.416 31.142 29.762 -0.060 0.000 1.840 52 H HN 0.276 nan 8.280 nan 0.000 0.540 53 K N 3.853 124.159 120.400 -0.157 0.000 2.524 53 K HA 0.085 4.406 4.320 0.002 0.000 0.279 53 K C -0.698 175.959 176.600 0.095 0.000 0.993 53 K CA 0.158 56.401 56.287 -0.072 0.000 1.030 53 K CB 0.335 32.749 32.500 -0.143 0.000 0.891 53 K HN 0.467 nan 8.250 nan 0.000 0.488 54 L N 5.466 126.682 121.223 -0.011 0.000 2.352 54 L HA 0.409 4.750 4.340 0.002 0.000 0.269 54 L C -2.001 174.882 176.870 0.022 0.000 1.034 54 L CA -2.585 52.235 54.840 -0.033 0.000 0.806 54 L CB 1.227 43.172 42.059 -0.190 0.000 1.244 54 L HN 0.573 nan 8.230 nan 0.000 0.447 55 P HA 0.019 nan 4.420 nan 0.000 0.267 55 P C -0.294 177.066 177.300 0.099 0.000 1.200 55 P CA -0.159 62.996 63.100 0.093 0.000 0.772 55 P CB 0.510 32.290 31.700 0.133 0.000 0.855 56 D N 1.032 121.471 120.400 0.065 0.000 2.228 56 D HA -0.172 4.470 4.640 0.002 0.000 0.203 56 D C 0.999 177.340 176.300 0.067 0.000 0.988 56 D CA 1.472 55.504 54.000 0.053 0.000 0.864 56 D CB -0.330 40.490 40.800 0.033 0.000 0.928 56 D HN 0.548 nan 8.370 nan 0.000 0.469 57 D N -1.282 119.165 120.400 0.078 0.000 2.340 57 D HA -0.121 4.520 4.640 0.002 0.000 0.217 57 D C 0.163 176.504 176.300 0.067 0.000 1.081 57 D CA -0.550 53.485 54.000 0.057 0.000 0.842 57 D CB -0.943 39.876 40.800 0.032 0.000 0.934 57 D HN 0.144 nan 8.370 nan 0.000 0.511 58 Y N 2.287 122.592 120.300 0.008 0.000 2.544 58 Y HA 0.259 4.809 4.550 -0.000 0.000 0.330 58 Y C -2.181 173.721 175.900 0.003 0.000 1.136 58 Y CA -2.019 56.086 58.100 0.008 0.000 1.417 58 Y CB 0.664 39.132 38.460 0.012 0.000 1.229 58 Y HN -0.124 nan 8.280 nan 0.000 0.532 59 P HA 0.112 nan 4.420 nan 0.000 0.276 59 P C -0.708 176.629 177.300 0.063 0.000 1.243 59 P CA 0.101 63.152 63.100 -0.082 0.000 0.768 59 P CB 0.625 32.219 31.700 -0.177 0.000 0.856 60 I N 0.000 120.623 120.570 0.089 0.000 2.984 60 I HA 0.000 4.171 4.170 0.002 0.000 0.288 60 I CA 0.000 61.366 61.300 0.109 0.000 1.566 60 I CB 0.000 38.067 38.000 0.112 0.000 1.214 60 I HN 0.000 nan 8.210 nan 0.000 0.494