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 1pfb_1_A DATA FIRST_RESID 23 DATA SEQUENCE DLVYAAEKII QKRVKKGVVE YRVKWKGWNQ RYNTWEPEVN ILDRRLIDIY DATA SEQUENCE EQTNK 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 23 D HA 0.000 nan 4.640 nan 0.000 0.175 23 D C 0.000 176.280 176.300 -0.033 0.000 2.045 23 D CA 0.000 54.001 54.000 0.001 0.000 0.868 23 D CB 0.000 40.817 40.800 0.029 0.000 0.688 24 L N 0.525 121.713 121.223 -0.059 0.000 2.436 24 L HA 0.474 4.813 4.340 -0.001 0.000 0.265 24 L C 0.234 176.892 176.870 -0.353 0.000 1.168 24 L CA -0.763 53.947 54.840 -0.216 0.000 0.815 24 L CB 0.820 42.717 42.059 -0.270 0.000 1.109 24 L HN 0.090 nan 8.230 nan 0.000 0.462 25 V N 2.053 121.683 119.914 -0.474 0.000 2.481 25 V HA 0.389 4.508 4.120 -0.001 0.000 0.286 25 V C -0.695 175.014 176.094 -0.641 0.000 1.042 25 V CA -0.407 61.679 62.300 -0.356 0.000 0.928 25 V CB 1.135 32.865 31.823 -0.155 0.000 0.986 25 V HN 0.436 nan 8.190 nan 0.000 0.462 26 Y N 1.147 121.460 120.300 0.023 0.000 2.638 26 Y HA 0.715 5.265 4.550 -0.001 0.000 0.339 26 Y C 0.331 176.372 175.900 0.234 0.000 1.084 26 Y CA -1.057 57.071 58.100 0.046 0.000 1.068 26 Y CB 1.716 40.048 38.460 -0.213 0.000 1.294 26 Y HN 0.651 nan 8.280 nan 0.000 0.480 27 A N 1.128 124.186 122.820 0.397 0.000 2.354 27 A HA 0.684 5.003 4.320 -0.001 0.000 0.281 27 A C -0.290 177.523 177.584 0.380 0.000 1.174 27 A CA -0.046 52.172 52.037 0.301 0.000 0.828 27 A CB -0.646 18.486 19.000 0.221 0.000 1.099 27 A HN 0.771 nan 8.150 nan 0.000 0.516 28 A N 2.009 124.950 122.820 0.202 0.000 2.305 28 A HA 0.524 4.843 4.320 -0.001 0.000 0.322 28 A C 0.828 178.374 177.584 -0.063 0.000 1.187 28 A CA -0.178 51.821 52.037 -0.063 0.000 0.825 28 A CB 0.584 19.364 19.000 -0.368 0.000 1.164 28 A HN 0.982 nan 8.150 nan 0.000 0.498 29 E N 1.719 121.867 120.200 -0.086 0.000 2.033 29 E HA -0.014 4.335 4.350 -0.001 0.000 0.189 29 E C 0.393 176.939 176.600 -0.090 0.000 0.979 29 E CA 1.388 57.761 56.400 -0.045 0.000 0.802 29 E CB 0.008 29.702 29.700 -0.009 0.000 0.763 29 E HN 0.730 nan 8.360 nan 0.000 0.449 30 K N -1.022 119.284 120.400 -0.156 0.000 2.658 30 K HA 0.329 4.648 4.320 -0.001 0.000 0.293 30 K C -1.330 175.147 176.600 -0.205 0.000 1.026 30 K CA -0.740 55.464 56.287 -0.138 0.000 0.871 30 K CB 0.654 33.116 32.500 -0.064 0.000 1.524 30 K HN -0.059 nan 8.250 nan 0.000 0.400 31 I N 2.351 122.823 120.570 -0.164 0.000 2.392 31 I HA 0.275 4.444 4.170 -0.001 0.000 0.295 31 I C 0.998 177.073 176.117 -0.070 0.000 0.985 31 I CA -0.759 60.406 61.300 -0.225 0.000 1.221 31 I CB 1.446 39.224 38.000 -0.368 0.000 1.366 31 I HN 0.718 nan 8.210 nan 0.000 0.467 32 I N 1.631 122.129 120.570 -0.119 0.000 4.181 32 I HA 0.354 4.523 4.170 -0.001 0.000 0.331 32 I C 0.167 176.350 176.117 0.110 0.000 1.312 32 I CA 0.034 61.352 61.300 0.031 0.000 1.146 32 I CB 0.361 38.330 38.000 -0.052 0.000 1.074 32 I HN 0.539 nan 8.210 nan 0.000 0.402 33 Q N 1.494 121.239 119.800 -0.093 0.000 2.482 33 Q HA 0.515 4.855 4.340 -0.001 0.000 0.286 33 Q C -1.433 174.535 176.000 -0.054 0.000 1.007 33 Q CA -0.864 54.954 55.803 0.025 0.000 0.801 33 Q CB 3.109 31.864 28.738 0.028 0.000 1.455 33 Q HN 0.137 nan 8.270 nan 0.000 0.398 34 K N 1.208 121.680 120.400 0.120 0.000 2.378 34 K HA 0.629 4.948 4.320 -0.001 0.000 0.252 34 K C -1.555 175.093 176.600 0.080 0.000 0.931 34 K CA -0.611 55.677 56.287 0.001 0.000 0.794 34 K CB 1.972 34.481 32.500 0.015 0.000 1.181 34 K HN 0.586 nan 8.250 nan 0.000 0.425 35 R N 3.175 123.627 120.500 -0.080 0.000 2.538 35 R HA 0.431 4.771 4.340 -0.001 0.000 0.292 35 R C -1.842 174.309 176.300 -0.250 0.000 1.008 35 R CA -0.639 55.337 56.100 -0.206 0.000 0.896 35 R CB 1.881 31.836 30.300 -0.576 0.000 1.187 35 R HN 0.346 nan 8.270 nan 0.000 0.440 36 V N 4.734 124.542 119.914 -0.176 0.000 2.407 36 V HA 0.459 4.579 4.120 -0.001 0.000 0.291 36 V C -0.720 175.295 176.094 -0.132 0.000 1.018 36 V CA -0.746 61.464 62.300 -0.150 0.000 0.842 36 V CB 1.707 33.471 31.823 -0.098 0.000 0.996 36 V HN 0.721 nan 8.190 nan 0.000 0.426 37 K N 3.547 123.864 120.400 -0.138 0.000 2.541 37 K HA 0.513 4.832 4.320 -0.001 0.000 0.250 37 K C -0.386 176.160 176.600 -0.089 0.000 0.950 37 K CA -0.945 55.272 56.287 -0.116 0.000 0.805 37 K CB 1.851 34.263 32.500 -0.147 0.000 1.166 37 K HN 0.557 nan 8.250 nan 0.000 0.430 38 K N 1.272 121.632 120.400 -0.067 0.000 3.156 38 K HA -0.289 4.031 4.320 -0.001 0.000 0.266 38 K C 0.613 177.184 176.600 -0.048 0.000 0.966 38 K CA 0.697 56.953 56.287 -0.051 0.000 0.719 38 K CB -1.584 30.886 32.500 -0.050 0.000 1.333 38 K HN 1.215 nan 8.250 nan 0.000 0.468 39 G N -1.413 107.358 108.800 -0.049 0.000 2.212 39 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.266 39 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.266 39 G C 0.207 175.078 174.900 -0.050 0.000 0.978 39 G CA 0.199 45.274 45.100 -0.042 0.000 0.632 39 G HN 0.291 nan 8.290 nan 0.000 0.537 40 V N 1.555 121.429 119.914 -0.068 0.000 2.385 40 V HA 0.517 4.636 4.120 -0.001 0.000 0.269 40 V C 0.695 176.721 176.094 -0.113 0.000 1.043 40 V CA -0.623 61.631 62.300 -0.077 0.000 0.906 40 V CB 1.624 33.398 31.823 -0.082 0.000 0.995 40 V HN 0.243 nan 8.190 nan 0.000 0.467 41 V N 5.638 125.487 119.914 -0.107 0.000 2.407 41 V HA 0.455 4.574 4.120 -0.001 0.000 0.278 41 V C 0.096 176.064 176.094 -0.210 0.000 1.037 41 V CA -0.421 61.768 62.300 -0.185 0.000 0.900 41 V CB 1.295 33.026 31.823 -0.153 0.000 0.983 41 V HN 0.945 nan 8.190 nan 0.000 0.459 42 E N 3.144 123.160 120.200 -0.308 0.000 2.343 42 E HA 0.636 4.985 4.350 -0.001 0.000 0.270 42 E C -1.902 174.575 176.600 -0.205 0.000 0.895 42 E CA -0.759 55.557 56.400 -0.140 0.000 0.767 42 E CB 2.807 32.468 29.700 -0.064 0.000 1.248 42 E HN 0.596 nan 8.360 nan 0.000 0.440 43 Y N 0.232 120.683 120.300 0.252 0.000 2.442 43 Y HA 0.396 4.945 4.550 -0.002 0.000 0.344 43 Y C -0.280 175.592 175.900 -0.047 0.000 0.976 43 Y CA -1.016 57.132 58.100 0.079 0.000 1.040 43 Y CB 1.773 40.156 38.460 -0.127 0.000 1.228 43 Y HN 0.299 nan 8.280 nan 0.000 0.451 44 R N 1.830 122.151 120.500 -0.299 0.000 2.216 44 R HA 0.592 4.931 4.340 -0.001 0.000 0.332 44 R C -1.753 174.278 176.300 -0.449 0.000 1.056 44 R CA -0.325 55.325 56.100 -0.750 0.000 0.901 44 R CB 0.172 29.768 30.300 -1.172 0.000 1.039 44 R HN 0.514 nan 8.270 nan 0.000 0.456 45 V N 5.051 124.701 119.914 -0.441 0.000 2.427 45 V HA 0.341 4.460 4.120 -0.001 0.000 0.286 45 V C -0.176 175.529 176.094 -0.649 0.000 1.034 45 V CA -0.814 61.118 62.300 -0.614 0.000 0.893 45 V CB 1.463 32.706 31.823 -0.967 0.000 0.982 45 V HN 0.583 nan 8.190 nan 0.000 0.452 46 K N 4.634 124.721 120.400 -0.520 0.000 2.253 46 K HA 0.335 4.655 4.320 -0.001 0.000 0.277 46 K C -1.260 175.127 176.600 -0.355 0.000 1.053 46 K CA -0.292 55.819 56.287 -0.294 0.000 0.892 46 K CB 0.418 32.832 32.500 -0.144 0.000 1.102 46 K HN 0.523 nan 8.250 nan 0.000 0.469 47 W N 4.094 125.384 121.300 -0.017 0.000 2.316 47 W HA 0.324 4.985 4.660 0.000 0.000 0.321 47 W C 0.415 177.005 176.519 0.117 0.000 1.203 47 W CA -0.690 56.642 57.345 -0.022 0.000 1.214 47 W CB 0.739 30.048 29.460 -0.252 0.000 1.169 47 W HN 0.423 nan 8.180 nan 0.000 0.561 48 K N 1.952 122.564 120.400 0.354 0.000 2.447 48 K HA 0.270 4.589 4.320 -0.001 0.000 0.281 48 K C 1.147 177.983 176.600 0.392 0.000 1.031 48 K CA 1.190 57.650 56.287 0.289 0.000 1.019 48 K CB 0.044 32.675 32.500 0.219 0.000 0.918 48 K HN 0.834 nan 8.250 nan 0.000 0.476 49 G N 3.428 112.396 108.800 0.280 0.000 2.179 49 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.260 49 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.260 49 G C -0.880 174.114 174.900 0.158 0.000 0.977 49 G CA 0.215 45.433 45.100 0.196 0.000 0.641 49 G HN 0.609 nan 8.290 nan 0.000 0.533 50 W N 1.047 122.424 121.300 0.128 0.000 2.587 50 W HA 0.616 5.275 4.660 -0.001 0.000 0.324 50 W C 0.262 176.912 176.519 0.218 0.000 1.040 50 W CA -1.457 55.993 57.345 0.174 0.000 1.222 50 W CB 0.800 30.372 29.460 0.187 0.000 1.381 50 W HN 0.102 nan 8.180 nan 0.000 0.483 51 N N 2.945 121.898 118.700 0.423 0.000 2.345 51 N HA -0.131 4.608 4.740 -0.001 0.000 0.243 51 N C 1.314 176.941 175.510 0.194 0.000 1.246 51 N CA 0.605 53.792 53.050 0.228 0.000 0.863 51 N CB 1.023 39.583 38.487 0.122 0.000 1.096 51 N HN 0.767 nan 8.380 nan 0.000 0.446 52 Q N 3.131 122.974 119.800 0.071 0.000 2.439 52 Q HA -0.192 4.147 4.340 -0.001 0.000 0.211 52 Q C 1.420 177.391 176.000 -0.048 0.000 0.978 52 Q CA 1.076 56.899 55.803 0.032 0.000 0.897 52 Q CB -0.263 28.473 28.738 -0.003 0.000 0.956 52 Q HN 0.697 nan 8.270 nan 0.000 0.483 53 R N -0.426 119.959 120.500 -0.192 0.000 2.237 53 R HA -0.116 4.224 4.340 -0.001 0.000 0.219 53 R C 0.342 176.461 176.300 -0.301 0.000 1.080 53 R CA 1.095 57.011 56.100 -0.307 0.000 0.995 53 R CB -0.280 29.734 30.300 -0.478 0.000 0.875 53 R HN 0.276 nan 8.270 nan 0.000 0.462 54 Y N 1.058 121.444 120.300 0.143 0.000 2.493 54 Y HA 0.274 4.823 4.550 -0.001 0.000 0.275 54 Y C -0.031 175.960 175.900 0.152 0.000 1.183 54 Y CA -1.357 56.843 58.100 0.167 0.000 1.258 54 Y CB -0.428 38.235 38.460 0.338 0.000 1.108 54 Y HN 0.003 nan 8.280 nan 0.000 0.521 55 N N 1.249 120.058 118.700 0.183 0.000 2.374 55 N HA 0.077 4.816 4.740 -0.001 0.000 0.241 55 N C 0.440 175.995 175.510 0.075 0.000 1.262 55 N CA 0.634 53.741 53.050 0.094 0.000 0.880 55 N CB 0.554 38.985 38.487 -0.094 0.000 1.105 55 N HN 0.252 nan 8.380 nan 0.000 0.438 56 T N -2.910 111.694 114.554 0.083 0.000 2.906 56 T HA 0.534 4.884 4.350 -0.001 0.000 0.295 56 T C -0.952 173.727 174.700 -0.035 0.000 1.075 56 T CA -0.875 61.283 62.100 0.098 0.000 1.005 56 T CB 0.803 69.850 68.868 0.297 0.000 1.136 56 T HN 0.382 nan 8.240 nan 0.000 0.498 57 W N 1.290 122.640 121.300 0.083 0.000 2.338 57 W HA 0.557 5.216 4.660 -0.002 0.000 0.307 57 W C 0.289 176.852 176.519 0.072 0.000 1.167 57 W CA -0.341 57.031 57.345 0.045 0.000 1.208 57 W CB 1.070 30.540 29.460 0.016 0.000 1.228 57 W HN 0.518 nan 8.180 nan 0.000 0.499 58 E N 4.783 125.185 120.200 0.337 0.000 2.266 58 E HA 0.346 4.696 4.350 -0.001 0.000 0.268 58 E C -2.365 174.366 176.600 0.218 0.000 0.879 58 E CA -2.182 54.369 56.400 0.252 0.000 0.762 58 E CB 1.628 31.467 29.700 0.232 0.000 1.199 58 E HN 0.065 nan 8.360 nan 0.000 0.422 59 P HA 0.029 nan 4.420 nan 0.000 0.272 59 P C 0.574 177.967 177.300 0.154 0.000 1.223 59 P CA 0.035 63.201 63.100 0.111 0.000 0.784 59 P CB 1.240 32.986 31.700 0.075 0.000 0.923 60 E N 1.311 121.602 120.200 0.151 0.000 2.130 60 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 60 E C 1.637 178.325 176.600 0.147 0.000 0.998 60 E CA 1.117 57.657 56.400 0.234 0.000 0.806 60 E CB -0.313 29.511 29.700 0.207 0.000 0.738 60 E HN 0.147 nan 8.360 nan 0.000 0.459 61 V N 1.170 121.144 119.914 0.100 0.000 2.720 61 V HA -0.197 3.922 4.120 -0.001 0.000 0.256 61 V C 1.157 177.296 176.094 0.075 0.000 1.082 61 V CA 1.948 64.292 62.300 0.073 0.000 1.101 61 V CB -0.458 31.398 31.823 0.055 0.000 0.693 61 V HN 0.325 nan 8.190 nan 0.000 0.479 62 N N 0.198 118.957 118.700 0.099 0.000 2.412 62 N HA 0.116 4.855 4.740 -0.001 0.000 0.184 62 N C 0.394 175.963 175.510 0.098 0.000 1.101 62 N CA 0.327 53.443 53.050 0.109 0.000 0.881 62 N CB -0.024 38.551 38.487 0.147 0.000 0.969 62 N HN 0.332 nan 8.380 nan 0.000 0.459 63 I N 2.258 122.870 120.570 0.069 0.000 2.227 63 I HA 0.054 4.223 4.170 -0.001 0.000 0.297 63 I C 1.408 177.524 176.117 -0.001 0.000 1.173 63 I CA -0.005 61.295 61.300 -0.001 0.000 1.356 63 I CB -0.715 37.234 38.000 -0.084 0.000 1.485 63 I HN 0.033 nan 8.210 nan 0.000 0.604 64 L N 2.159 123.394 121.223 0.021 0.000 2.017 64 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 64 L C 1.186 178.056 176.870 -0.001 0.000 1.073 64 L CA 1.321 56.171 54.840 0.018 0.000 0.745 64 L CB -0.200 41.877 42.059 0.031 0.000 0.894 64 L HN 0.479 nan 8.230 nan 0.000 0.432 65 D N 0.093 120.486 120.400 -0.012 0.000 2.380 65 D HA 0.032 4.671 4.640 -0.001 0.000 0.230 65 D C 1.004 177.277 176.300 -0.046 0.000 1.154 65 D CA -0.065 53.922 54.000 -0.021 0.000 0.859 65 D CB 1.221 42.011 40.800 -0.016 0.000 1.045 65 D HN -0.009 nan 8.370 nan 0.000 0.495 66 R N 3.343 123.821 120.500 -0.037 0.000 2.200 66 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 66 R C 1.746 178.011 176.300 -0.057 0.000 1.127 66 R CA 0.878 56.948 56.100 -0.049 0.000 0.989 66 R CB 0.225 30.509 30.300 -0.026 0.000 0.869 66 R HN 0.435 nan 8.270 nan 0.000 0.459 67 R N 0.053 120.527 120.500 -0.044 0.000 2.127 67 R HA -0.153 4.186 4.340 -0.001 0.000 0.238 67 R C 2.240 178.505 176.300 -0.059 0.000 1.134 67 R CA 1.312 57.389 56.100 -0.039 0.000 0.975 67 R CB -0.339 29.945 30.300 -0.028 0.000 0.865 67 R HN 0.256 nan 8.270 nan 0.000 0.447 68 L N 0.173 121.341 121.223 -0.093 0.000 2.042 68 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 68 L C 2.284 179.059 176.870 -0.159 0.000 1.076 68 L CA 1.392 56.151 54.840 -0.135 0.000 0.749 68 L CB -0.305 41.638 42.059 -0.194 0.000 0.893 68 L HN 0.190 nan 8.230 nan 0.000 0.432 69 I N -0.788 119.662 120.570 -0.201 0.000 2.333 69 I HA -0.212 3.958 4.170 -0.001 0.000 0.246 69 I C 2.043 178.144 176.117 -0.026 0.000 1.106 69 I CA 0.780 61.956 61.300 -0.208 0.000 1.411 69 I CB -0.343 37.496 38.000 -0.268 0.000 1.082 69 I HN 0.227 nan 8.210 nan 0.000 0.420 70 D N 1.263 121.647 120.400 -0.027 0.000 2.104 70 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 70 D C 2.247 178.552 176.300 0.008 0.000 0.994 70 D CA 1.494 55.493 54.000 -0.001 0.000 0.830 70 D CB -0.206 40.588 40.800 -0.009 0.000 0.959 70 D HN 0.332 nan 8.370 nan 0.000 0.452 71 I N -0.007 120.565 120.570 0.003 0.000 2.226 71 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 71 I C 2.385 178.517 176.117 0.025 0.000 1.100 71 I CA 0.845 62.148 61.300 0.005 0.000 1.374 71 I CB -0.263 37.736 38.000 -0.002 0.000 1.057 71 I HN -0.023 nan 8.210 nan 0.000 0.413 72 Y N 2.022 122.282 120.300 -0.068 0.000 2.145 72 Y HA -0.263 4.287 4.550 0.001 0.000 0.286 72 Y C 2.354 178.248 175.900 -0.010 0.000 1.145 72 Y CA 1.728 59.802 58.100 -0.044 0.000 1.148 72 Y CB -0.246 38.176 38.460 -0.063 0.000 0.981 72 Y HN 0.177 nan 8.280 nan 0.000 0.507 73 E N -0.258 119.961 120.200 0.030 0.000 2.409 73 E HA -0.220 4.129 4.350 -0.001 0.000 0.198 73 E C 1.903 178.456 176.600 -0.079 0.000 1.024 73 E CA 0.889 57.272 56.400 -0.028 0.000 0.861 73 E CB -0.124 29.613 29.700 0.062 0.000 0.788 73 E HN 0.703 nan 8.360 nan 0.000 0.521 74 Q N -0.204 119.550 119.800 -0.076 0.000 2.291 74 Q HA -0.085 4.255 4.340 -0.001 0.000 0.205 74 Q C 1.519 177.463 176.000 -0.094 0.000 0.970 74 Q CA 1.568 57.331 55.803 -0.066 0.000 0.876 74 Q CB 0.178 28.888 28.738 -0.047 0.000 0.935 74 Q HN 0.255 nan 8.270 nan 0.000 0.455 75 T N -3.321 111.138 114.554 -0.159 0.000 3.231 75 T HA 0.227 4.576 4.350 -0.001 0.000 0.292 75 T C -0.011 174.551 174.700 -0.230 0.000 1.001 75 T CA -0.579 61.424 62.100 -0.162 0.000 0.920 75 T CB 0.229 69.013 68.868 -0.140 0.000 1.140 75 T HN -0.041 nan 8.240 nan 0.000 0.525 76 N N 1.719 120.248 118.700 -0.285 0.000 2.640 76 N HA 0.370 5.109 4.740 -0.001 0.000 0.262 76 N C -0.045 175.392 175.510 -0.122 0.000 1.174 76 N CA -0.335 52.544 53.050 -0.284 0.000 0.791 76 N CB 1.894 39.974 38.487 -0.679 0.000 1.279 76 N HN 0.549 nan 8.380 nan 0.000 0.535 77 K N 0.000 120.362 120.400 -0.063 0.000 2.780 77 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 77 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 77 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 77 K HN 0.000 nan 8.250 nan 0.000 0.543