######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30938 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Height Volume K29HN-K29HA 9.358 4.649 1.30E+05 1.10E+06 bx N30HN-N30HA 9.690 4.413 7.75E+05 6.28E+06 bx G1HN-G1HA1 8.610 4.025 2.78E+05 2.27E+06 bx F2HN-F2HA 8.218 5.180 2.11E+05 1.73E+06 bx K23HN-K23HA 9.579 4.615 5.59E+04 5.14E+05 bx K23HN-K23QE 9.585 2.781 5.38E+03 5.42E+04 bx K23HN-K23QB 9.576 1.830 1.94E+05 1.66E+06 bx S7HN-S7HB2 8.794 4.068 2.06E+05 1.78E+06 bx E6HN-E6HA 7.775 4.596 1.30E+05 1.07E+06 bx E6HN-E6HG2 7.772 2.572 2.53E+04 2.13E+05 bx E6HN-E6HG3 7.772 2.452 1.77E+04 1.48E+05 bx E6HN-E6HB2 7.774 1.849 7.10E+04 5.97E+05 bx E6HN-E6HB3 7.771 1.747 8.86E+04 7.37E+05 bx G5HN-G5HA1 8.803 4.136 1.89E+05 1.60E+06 bx G5HN-G5HA2 8.803 3.685 3.29E+05 2.78E+06 bx C8HN-C8HA 8.166 5.309 9.76E+04 8.33E+05 bx C8HN-C8HB2 8.161 3.282 3.24E+04 2.74E+05 bx C8HN-C8HB3 8.163 3.192 5.12E+04 4.35E+05 bx V9HN-V9HB 7.964 1.681 3.92E+05 3.24E+06 bx V9HN-V9QG1 7.961 0.976 3.92E+05 3.17E+06 bx V9HN-V9QG2 7.964 0.326 9.77E+04 7.89E+05 bx Y10HN-Y10HA 8.269 4.685 1.47E+05 1.23E+06 bx Y10HN-Y10HB2 8.271 3.254 7.38E+04 6.27E+05 bx Y10HN-Y10HB3 8.270 2.810 1.79E+05 1.52E+06 bx I11HN-I11QD1 7.560 0.911 3.19E+04 2.69E+05 bx I11HN-I11HG12 7.558 1.455 9.48E+04 7.96E+05 bx I11HN-I11HG13 7.558 1.106 1.34E+05 1.13E+06 bx I11HN-I11QG2 7.560 1.003 6.16E+04 5.17E+05 bx Y28HN-Y28HA 9.778 5.221 1.48E+05 1.22E+06 bx C4HN-C4HA 8.585 4.598 1.14E+05 9.44E+05 bx C4HN-C4HB3 8.587 3.108 2.94E+05 2.46E+06 bx C13HN-C13HA 8.542 4.233 1.56E+05 1.26E+06 bx C13HN-C13HB2 8.542 2.979 1.05E+05 8.55E+05 bx C13HN-C13HB3 8.542 2.717 3.13E+05 2.59E+06 bx G19HN-G19HA1 8.247 4.259 1.11E+05 9.38E+05 bx G19HN-G19HA2 8.247 3.790 8.62E+04 7.24E+05 bx C20HN-C20HA 8.006 5.020 1.13E+05 9.50E+05 bx S21HN-S21HA 9.526 4.728 1.11E+04 1.12E+05 bx S21HN-S21QB 9.522 3.860 1.40E+05 1.19E+06 bx A16HN-T15HB 7.680 4.480 7.16E+04 5.99E+05 bx A16HN-T15HA 7.682 4.137 1.25E+05 1.01E+06 bx C22HN-C22HA 8.889 4.687 1.16E+05 9.62E+05 bx C22HN-C22HB2 8.892 3.186 3.74E+05 3.10E+06 bx C22HN-C22HB3 8.894 3.103 3.55E+05 2.96E+06 bx C27HN-C27HA 7.982 5.092 1.35E+05 1.11E+06 bx C27HN-C27HB2 7.983 3.035 4.52E+05 3.75E+06 bx C27HN-C27HB3 7.983 2.724 1.41E+05 1.16E+06 bx G1HN-G1HA2 8.610 3.447 5.11E+05 4.17E+06 bx N30HN-N30HB3 9.691 2.954 7.41E+04 6.12E+05 bx N30HN-N30HB2 9.691 3.230 5.44E+04 4.48E+05 bx K29HN-K29QB 9.356 1.950 2.96E+05 2.48E+06 bx K29HN-K29HG3 9.358 1.411 2.23E+04 1.86E+05 bx K29HN-K29HG2 9.358 1.250 2.55E+04 2.16E+05 bx K29HN-K29HD2 9.359 1.736 7.00E+03 5.84E+04 bx K29HN-K29HD3 9.359 1.663 8.55E+03 7.28E+04 bx K23HN-K23HD2 9.580 1.493 3.93E+03 3.15E+04 bx K23HN-K23HD3 9.581 1.401 2.65E+04 2.24E+05 bx F2HN-F2HB2 8.222 3.232 1.17E+05 9.87E+05 bx F2HN-F2HB3 8.220 3.041 2.71E+05 2.30E+06 bx K25HN-K25HA 8.232 3.521 6.58E+05 5.42E+06 bx K25HN-K25QE 8.238 2.955 1.30E+04 1.16E+05 bx V26HN-V26HA 8.026 4.291 5.84E+03 1.19E+05 bx V26HN-V26QG1 8.029 0.955 1.28E+05 1.07E+06 bx V26HN-V26QG2 8.027 0.634 2.44E+04 2.08E+05 bx Y28HN-Y28QB 9.773 2.834 3.12E+05 2.56E+06 bx P3HD2-P3HA 3.948 4.094 9.40E+05 8.73E+06 bx P3HD3-P3HA 3.677 4.118 3.89E+05 3.59E+06 bx P3HG2-P3HA 1.972 4.121 6.77E+04 5.62E+05 bx P3HB2-P3HA 1.882 4.126 7.83E+04 6.86E+05 bx P12HD2-P12HA 3.747 4.387 2.62E+04 2.15E+05 bx P12HD3-P12HA 3.517 4.387 1.83E+04 1.55E+05 bx P12HB2-P12HA 2.280 4.392 1.85E+05 1.54E+06 bx P12QG-P12HA 1.869 4.387 7.90E+04 6.52E+05 bx P12HB3-P12HA 1.576 4.392 6.52E+04 5.37E+05 bx I18HN-I18HA 7.632 4.258 6.47E+04 5.68E+05 bx A17HN-A17QB 7.920 1.410 6.79E+05 5.49E+06 bx A16HN-A16HA 7.683 4.578 2.04E+05 1.68E+06 bx A16HN-A16QB 7.683 1.422 5.72E+05 4.59E+06 bx I18HN-I18HB 7.633 2.042 7.27E+04 6.06E+05 bx I18HN-I18HG12 7.633 1.546 6.79E+04 5.67E+05 bx I18HN-I18HG13 7.632 1.167 1.00E+05 8.40E+05 bx I18HN-I18QG2 7.632 0.904 6.78E+04 5.60E+05 bx C20HN-C20HB2 8.005 3.566 2.68E+05 2.26E+06 bx C20HN-C20HB3 8.005 2.568 9.05E+04 7.54E+05 bx K25HN-K25HB2 8.236 2.289 5.14E+04 4.28E+05 bx K25HN-K25HB3 8.236 1.938 6.54E+04 5.46E+05 bx K25HN-K25HD2 8.236 1.612 6.05E+03 5.22E+04 bx K25HN-K25QG 8.234 1.298 2.06E+05 1.74E+06 bx V26HN-V26HB 8.027 2.053 2.41E+05 2.07E+06 bx S24HN-S24HA 9.288 3.937 6.76E+05 5.56E+06 bx S24HN-S24HB2 9.288 3.866 1.06E+05 9.44E+05 bx S24HN-S24HB3 9.288 4.079 5.13E+04 4.17E+05 bx K23HN-K23HG3 9.579 1.263 2.27E+04 1.92E+05 bx K23HN-K23HG2 9.581 1.394 2.61E+04 2.19E+05 bx P3HB3-P3HA 2.064 4.118 1.65E+05 1.34E+06 bx P3HG3-P3HA 2.105 4.118 9.75E+04 8.20E+05 bx Y10HN-C8HA 8.270 5.305 3.79E+04 3.19E+05 bx I11HN-C8HA 7.556 5.306 6.97E+04 5.77E+05 bx V9HN-C8HB2 7.962 3.279 2.47E+04 2.07E+05 bx V9HN-C8HB3 7.965 3.186 2.13E+04 1.79E+05 bx Y10HN-V9HA 8.268 3.469 9.78E+04 8.06E+05 bx Y10HN-V9HB 8.268 1.686 2.16E+05 1.83E+06 bx Y10HN-V9QG1 8.268 0.981 4.98E+04 4.19E+05 bx Y10HN-V9QG2 8.270 0.326 8.76E+04 7.29E+05 bx I11HN-Y10HB2 7.556 3.259 5.84E+04 4.92E+05 bx I11HN-Y10HB3 7.556 2.813 9.22E+04 7.76E+05 bx P12HD2-I11HA 3.752 4.677 4.09E+05 3.46E+06 bx P12HD3-I11HA 3.518 4.674 2.16E+05 1.81E+06 bx A16HN-C13HA 7.683 4.243 3.41E+04 2.76E+05 bx F2HN-G1HA1 8.218 4.035 6.31E+04 5.35E+05 bx F2HN-G1HA2 8.218 3.448 6.16E+04 5.27E+05 bx P3HD2-F2HA 3.951 5.178 4.20E+05 3.48E+06 bx P3HD3-F2HA 3.685 5.176 2.95E+05 2.47E+06 bx P3HD2-F2HB2 3.943 3.244 3.97E+04 3.38E+05 bx P3HD3-F2HB2 3.681 3.238 1.29E+05 1.07E+06 bx P3HD2-F2HB3 3.946 3.046 1.49E+04 1.23E+05 bx P3HD3-F2HB3 3.684 3.042 3.08E+04 2.61E+05 bx Y10QD-Y10HA 7.149 4.686 2.53E+05 2.14E+06 bx Y10QD-Y10HB2 7.149 3.256 2.71E+05 2.31E+06 bx Y10QD-Y10HB3 7.149 2.811 3.57E+05 3.05E+06 bx F14QD-F14HA 7.330 4.535 1.24E+05 1.03E+06 bx F14QD-F14HB2 7.330 3.352 1.53E+05 1.29E+06 bx F14QD-F14HB3 7.330 3.201 1.80E+05 1.50E+06 bx F14QE-F14HA 7.390 4.544 3.56E+04 2.90E+05 bx F14QE-F14HB2 7.390 3.361 3.90E+04 3.14E+05 bx F14QE-F14HB3 7.388 3.201 1.30E+05 1.14E+06 bx Y28HN-S21HN 9.776 9.526 1.86E+05 1.56E+06 bx Y28HN-K29HN 9.776 9.359 2.87E+04 2.35E+05 bx Y28HN-C4HN 9.776 8.593 1.53E+04 1.27E+05 bx Y28HN-C27HN 9.774 7.983 2.10E+04 1.76E+05 bx N30HN-G1HN 9.691 8.613 1.85E+05 1.50E+06 bx N30HN-F2HN 9.690 8.220 2.02E+04 1.62E+05 bx K23HN-S24HN 9.579 9.287 1.99E+04 1.55E+05 bx K23HN-C22HN 9.579 8.902 2.06E+04 1.71E+05 bx K23HN-K25HN 9.579 8.242 2.70E+04 2.22E+05 bx K23HN-V26HN 9.579 8.019 1.39E+05 1.17E+06 bx S21HN-C22HN 9.524 8.891 1.99E+04 1.65E+05 bx S21HN-C20HN 9.520 8.007 1.95E+04 1.58E+05 bx K29HN-Y28HA 9.358 5.221 6.81E+05 5.71E+06 bx C4HN-Y28HA 8.584 5.215 2.54E+05 2.08E+06 bx S21HN-C20HA 9.522 5.015 6.12E+05 5.13E+06 bx Y28HN-C27HA 9.779 5.093 6.38E+05 5.41E+06 bx ?-? 9.358 8.600 6.48E+04 5.42E+05 bx K29HN-F2HN 9.359 8.222 1.97E+05 1.64E+06 bx S24HN-K25HN 9.287 8.235 1.82E+05 1.47E+06 bx S24HN-V26HN 9.288 8.029 1.87E+04 1.55E+05 bx G5HN-C4HN 8.803 8.587 2.21E+05 1.78E+06 bx G5HN-E6HN 8.803 7.773 3.62E+05 2.98E+06 bx S7HN-C8HN 8.797 8.163 1.89E+04 1.58E+05 bx G5HN-C27HN 8.801 7.983 2.77E+04 2.25E+05 bx G1HN-F2HN 8.611 8.219 1.68E+05 1.36E+06 bx C4HN-E6HN 8.587 7.773 3.98E+04 3.25E+05 bx Y10HN-V9HN 8.268 7.966 2.01E+05 1.68E+06 bx Y10HN-I11HN 8.267 7.563 4.79E+05 4.00E+06 bx Y10HN-Y10QD 8.270 7.149 7.41E+04 6.17E+05 bx K25HN-V26HN 8.237 8.025 1.76E+05 1.43E+06 bx F2HN-F2QD 8.221 7.395 5.50E+04 4.66E+05 bx C8HN-V9HN 8.165 7.964 1.86E+05 1.55E+06 bx C20HN-I18HN 8.006 7.631 3.47E+04 2.94E+05 bx V9HN-I11HN 7.963 7.557 3.74E+04 3.10E+05 bx A17HN-A16HN 7.920 7.683 3.10E+05 2.53E+06 bx K23HN-C27HA 9.581 5.092 6.99E+04 5.84E+05 bx N30HN-K29HA 9.691 4.654 7.33E+05 5.99E+06 bx S24HN-K23HA 9.287 4.627 8.63E+05 7.05E+06 bx C22HN-S21HA 8.892 4.755 1.68E+05 1.39E+06 bx S7HN-E6HA 8.791 4.610 8.02E+05 6.64E+06 bx S7HN-E6HG3 8.791 2.454 7.82E+04 6.57E+05 bx S7HN-E6HG2 8.793 2.565 9.38E+04 7.92E+05 bx S7HN-E6HB3 8.793 1.750 7.97E+04 6.68E+05 bx G1HN-N30HA 8.613 4.419 2.21E+05 1.80E+06 bx G1HN-N30HB2 8.613 3.221 5.49E+04 4.54E+05 bx G1HN-N30HB3 8.613 2.955 4.56E+04 3.75E+05 bx C4HN-P3HB2 8.588 1.882 5.87E+04 4.92E+05 bx C4HN-P3HB3 8.587 2.073 6.91E+04 5.85E+05 bx G5HN-C4HB2 8.804 3.294 3.31E+04 2.73E+05 bx G5HN-C4HB3 8.802 3.105 4.61E+04 3.88E+05 bx E6HN-G5HA1 7.771 4.120 6.79E+04 5.68E+05 bx E6HN-G5HA2 7.769 3.686 9.87E+04 8.20E+05 bx C8HN-S7HA 8.163 4.733 2.84E+05 2.40E+06 bx C8HN-S7HB2 8.161 4.066 9.76E+04 8.30E+05 bx C8HN-S7HB3 8.161 3.939 8.99E+04 7.56E+05 bx C8HN-V9QG1 8.159 0.976 8.00E+04 6.59E+05 bx C8HN-V26QG2 8.159 0.624 1.44E+04 1.18E+05 bx C27HN-V26QG2 7.984 0.624 3.21E+05 2.59E+06 bx E6HN-V26QG2 7.773 0.622 2.15E+04 1.76E+05 bx C4HN-V26QG2 8.586 0.627 3.51E+04 2.88E+05 bx G5HN-V26QG2 8.802 0.627 2.28E+04 1.87E+05 bx C22HN-S21QB 8.891 3.854 2.58E+05 2.14E+06 bx P12HD2-I11QG2 3.750 1.004 5.92E+04 4.83E+05 bx P12HD3-I11QG2 3.516 1.004 8.97E+04 7.62E+05 bx C13HN-P12HB2 8.541 2.283 1.07E+05 8.82E+05 bx C13HN-P12QG 8.543 1.868 2.43E+04 1.98E+05 bx C13HN-P12HB3 8.544 1.571 1.14E+05 9.34E+05 bx C13HN-P12HA 8.545 4.394 6.13E+05 4.94E+06 bx A17HN-A16HA 7.920 4.580 1.03E+05 8.50E+05 bx I18HN-A17HA 7.632 4.311 1.14E+05 9.69E+05 bx I18HN-A17QB 7.632 1.406 6.03E+04 4.92E+05 bx ?-? 8.003 4.270 1.24E+05 1.19E+06 bx C20HN-G19HA2 8.008 3.791 8.39E+04 7.07E+05 bx S21HN-C20HB2 9.525 3.563 5.53E+04 4.69E+05 bx S21HN-C20HB3 9.523 2.566 1.88E+05 1.58E+06 bx ?-? 9.777 5.012 2.31E+04 2.24E+05 bx Y28HN-C20HB2 9.777 3.567 1.51E+04 1.32E+05 bx Y28HN-C20HB3 9.777 2.571 6.32E+04 5.36E+05 bx K29HN-Y28QB 9.356 2.832 3.04E+05 2.51E+06 bx Y28HN-C22HA 9.778 4.689 4.46E+04 3.82E+05 bx Y28HN-C27HB3 9.778 2.729 6.53E+04 5.57E+05 bx Y28HN-C27HB2 9.776 3.035 2.74E+04 2.33E+05 bx N30HN-K29QB 9.693 1.948 7.14E+04 5.86E+05 bx N30HN-K29HG3 9.691 1.415 8.08E+04 6.69E+05 bx N30HN-K29HG2 9.691 1.261 6.90E+04 5.74E+05 bx S24HN-K23QB 9.286 1.830 6.73E+04 5.72E+05 bx S24HN-K23HD3 9.288 1.407 4.26E+04 3.53E+05 bx S24HN-K23HG3 9.284 1.273 4.27E+04 3.59E+05 bx K23HN-C22HA 9.578 4.691 6.07E+05 5.10E+06 bx K23HN-C22HB2 9.581 3.181 3.76E+04 3.20E+05 bx K23HN-C22HB3 9.581 3.116 3.16E+04 2.73E+05 bx C8HN-K25QG 8.161 1.296 7.90E+03 6.54E+04 bx C8HN-V9HB 8.159 1.680 1.47E+04 1.22E+05 bx K25HN-K25HD3 8.232 1.672 4.18E+02 -3.37E+02 bx C8HN-K25HB2 8.162 2.275 1.05E+04 9.13E+04 bx C8HN-K25HA 8.163 3.517 4.48E+04 3.85E+05 bx C8HN-K25HB3 8.161 1.935 2.88E+04 2.46E+05 bx C8HN-V26HA 8.164 4.281 1.64E+05 1.39E+06 bx G1HN-Y28QB 8.611 2.832 1.07E+05 8.80E+05 bx S21HN-Y28QB 9.522 2.829 3.34E+04 2.79E+05 bx K23HN-V26HB 9.576 2.059 2.07E+04 1.73E+05 bx K23HN-V26QG1 9.578 0.963 1.37E+04 1.14E+05 bx S21HN-K29HB2 9.525 1.943 3.90E+04 3.27E+05 bx S21HN-K29HG3 9.523 1.410 1.42E+04 1.20E+05 bx G5HN-C27HB2 8.803 3.033 2.55E+04 2.23E+05 bx G5HN-P3HB3 8.804 2.076 4.73E+04 3.99E+05 bx C4HN-C27HB3 8.587 2.733 2.67E+04 2.21E+05 bx C4HN-P3HD3 8.585 3.683 2.49E+04 2.04E+05 bx C4HN-P3HA 8.587 4.120 8.76E+05 7.17E+06 bx Y10HN-I11HG13 8.268 1.092 2.01E+04 1.69E+05 bx Y10HN-I11HG12 8.270 1.448 1.28E+04 1.11E+05 bx Y10HN-I11HB 8.265 1.898 1.22E+04 1.03E+05 bx ?-? 8.003 0.917 1.85E+04 1.61E+05 bx C20HN-I18HG13 8.005 1.180 1.72E+04 1.48E+05 bx C20HN-A16QB 8.006 1.408 4.30E+04 3.59E+05 bx C20HN-I18HG12 8.004 1.545 4.14E+04 3.45E+05 bx C27HN-V26HA 7.983 4.286 8.66E+05 7.07E+06 bx G19HN-I18HN 8.244 7.635 3.86E+04 3.25E+05 bx C27HN-V26HB 7.983 2.059 5.03E+04 4.11E+05 bx C27HN-S7HA 7.981 4.731 1.29E+05 1.06E+06 bx I11HN-V9QG2 7.554 0.320 1.57E+04 1.30E+05 bx C20HN-A16HA 8.005 4.583 1.38E+05 1.15E+06 bx V26HN-K25HB2 8.027 2.277 2.54E+04 2.21E+05 bx V26HN-K25QG 8.024 1.295 1.81E+04 1.54E+05 bx V26HN-K25HB3 8.031 1.932 1.53E+04 1.32E+05 bx V26HN-K25HA 8.031 3.522 9.35E+04 8.00E+05 bx C22HN-C27HA 8.893 5.093 1.51E+04 1.26E+05 bx C22HN-C27HB3 8.893 2.716 2.19E+04 1.81E+05 bx K29HN-P3HA 9.358 4.125 5.56E+04 4.59E+05 bx ?-? 9.359 3.688 5.63E+03 4.55E+04 bx E6HN-P3HB3 7.772 2.068 8.55E+03 7.33E+04 bx V9HN-S7HB2 7.964 4.064 3.78E+04 3.10E+05 bx Y10QE-Y10HA 6.831 4.682 5.72E+04 4.98E+05 bx Y10QE-Y10HB3 6.826 2.817 7.51E+05 6.35E+06 bx Y10QE-Y10HB2 6.832 3.254 3.46E+04 2.81E+05 bx Y10QD-Y10QE 7.149 6.830 1.56E+06 1.21E+07 bx Y10QD-V9QG2 7.148 0.325 1.12E+05 9.34E+05 bx Y10QD-V9HB 7.150 1.681 7.48E+04 6.39E+05 bx Y10QD-V9QG1 7.148 0.977 3.43E+04 2.96E+05 bx Y10QE-V9QG2 6.834 0.327 9.74E+04 8.11E+05 bx Y10QE-V9QG1 6.829 0.968 1.42E+05 1.15E+06 bx Y10QE-V9HB 6.832 1.675 1.80E+04 1.54E+05 bx Y28QE-V26QG2 6.832 0.622 2.92E+05 2.30E+06 bx Y28HN-Y28QE 9.777 6.834 8.22E+04 6.88E+05 bx K23HN-Y28QE 9.579 6.834 1.18E+05 9.75E+05 bx K29HN-Y28QE 9.357 6.831 6.43E+04 5.29E+05 bx C4HN-Y28QE 8.588 6.831 3.24E+04 2.66E+05 bx G1HN-Y28QE 8.612 6.831 2.80E+04 2.29E+05 bx F2HN-Y28QE 8.219 6.830 6.30E+04 5.29E+05 bx V26HN-Y28QE 8.027 6.831 4.71E+04 3.96E+05 bx C27HN-Y28QE 7.980 6.834 2.02E+04 1.64E+05 bx I11HN-Y10QD 7.556 7.153 1.20E+04 1.05E+05 bx Y28QE-Y28HA 6.828 5.212 2.51E+05 2.07E+06 bx Y28QE-Y28QB 6.828 2.837 1.13E+06 9.04E+06 bx F2HN-Y28QB 8.219 2.836 6.07E+04 5.10E+05 bx E6HN-C27HB2 7.774 3.029 7.22E+04 6.16E+05 bx E6HN-C27HB3 7.772 2.731 1.97E+04 1.61E+05 bx A16HN-C20HB3 7.686 2.569 8.93E+03 7.37E+04 bx A16HN-C20HB2 7.684 3.562 1.49E+04 1.24E+05 bx A16HN-F14HB3 7.683 3.199 1.76E+04 1.43E+05 bx S24HN-K25HA 9.286 3.527 1.41E+04 1.16E+05 bx K23HN-K25HA 9.579 3.530 8.60E+03 7.38E+04 bx Y28HN-S21QB 9.778 3.857 1.56E+04 1.34E+05 bx K29HN-F2HB2 9.361 3.240 2.38E+04 1.99E+05 bx C4HN-C20HB3 8.586 2.566 1.31E+04 1.08E+05 bx V26HN-S24HB3 8.028 4.082 1.12E+04 9.76E+04 bx V26HN-S24HA 8.026 3.931 1.53E+04 1.34E+05 bx V26HN-S24HB2 8.027 3.875 1.47E+04 1.31E+05 bx N30HN-G1HA2 9.693 3.449 1.21E+04 9.96E+04 bx ?-? 9.696 4.023 6.70E+03 5.47E+04 bx C27HN-E6HB2 7.981 1.849 2.47E+04 2.07E+05 bx C27HN-E6HB3 7.984 1.747 1.90E+04 1.68E+05 bx V9HN-K25QG 7.959 1.298 8.04E+03 6.76E+04 bx V9HN-K25HB3 7.962 1.931 2.34E+04 1.95E+05 bx V9HN-K25HB2 7.963 2.280 7.50E+03 6.32E+04 bx Y28HN-K23QB 9.774 1.822 1.21E+04 1.05E+05 bx Y28HN-K23HD3 9.780 1.401 1.13E+04 9.37E+04 bx K25HN-S24HA 8.235 3.943 3.13E+05 2.58E+06 bx K25HN-S24HB3 8.237 4.081 3.87E+04 3.32E+05 bx F2HN-P3HD3 8.215 3.688 1.64E+04 1.32E+05 bx F2HN-P3HA 8.213 4.120 8.75E+03 7.05E+04 bx N30HD22-N30HD21 7.784 7.040 4.61E+06 3.62E+07 bx N30HD22-N30HB3 7.784 2.956 1.57E+05 1.28E+06 bx N30HD21-N30HB3 7.044 2.963 5.23E+04 4.37E+05 bx N30HD21-N30HB2 7.047 3.213 1.30E+04 1.01E+05 bx C8HN-V9QG2 8.160 0.320 7.72E+03 6.39E+04 bx A17HN-T15HA 7.919 4.132 7.41E+04 5.95E+05 bx I18HN-T15HA 7.632 4.137 2.14E+04 1.76E+05 bx F2QD-P3HB2 7.393 1.876 3.40E+04 2.83E+05 bx F14QD-P12QG 7.337 1.872 3.06E+04 2.51E+05 bx F14QE-P12HB3 7.393 1.571 1.37E+04 1.16E+05 bx F14QD-P12HB3 7.333 1.569 2.79E+04 2.33E+05 bx F14QE-A16QB 7.394 1.416 1.87E+04 1.49E+05 bx F14QD-A16QB 7.334 1.416 2.48E+04 2.05E+05 bx A16HN-T15QG2 7.683 1.223 4.74E+04 3.80E+05 bx F14QE-T15QG2 7.395 1.225 2.97E+04 2.41E+05 bx F14QD-T15QG2 7.333 1.223 5.29E+04 4.27E+05 bx F2QD-F2HA 7.392 5.178 1.21E+05 9.89E+05 bx F2QE-F2HA 7.429 5.176 3.09E+04 2.46E+05 bx F2QE-F2HB2 7.429 3.238 5.13E+04 4.10E+05 bx F2QD-F2HB2 7.390 3.242 1.95E+05 1.64E+06 bx F2QE-F2HB3 7.429 3.042 4.26E+04 3.42E+05 bx F2QD-F2HB3 7.392 3.042 1.85E+05 1.53E+06 bx F2QE-P3HD3 7.430 3.683 2.11E+04 1.71E+05 bx F2QD-P3HD3 7.393 3.683 6.98E+04 5.73E+05 bx Y28HN-V26QG2 9.782 0.623 1.10E+04 8.89E+04 bx K23HN-V26QG2 9.580 0.620 1.08E+04 8.98E+04 bx N30HN-Y28QB 9.694 2.834 2.53E+04 2.10E+05 bx Y28HN-P3HA 9.779 4.121 1.50E+04 1.24E+05 bx K23HN-Y28QB 9.579 2.833 2.50E+04 2.09E+05 bx S21HN-C27HB3 9.523 2.723 3.22E+04 2.73E+05 bx S21HN-C27HA 9.522 5.098 1.21E+04 1.26E+05 bx S21HN-K29QE 9.522 3.005 1.34E+04 1.18E+05 bx K29HN-C20HA 9.360 5.017 1.36E+04 1.11E+05 bx K29HN-C20HB3 9.360 2.569 1.10E+04 8.89E+04 bx C13HN-A16QB 8.542 1.421 2.30E+04 1.86E+05 bx F2HN-N30HB3 8.221 2.957 2.17E+04 1.95E+05 bx F2HN-N30HA 8.218 4.418 1.53E+04 1.28E+05 bx V26HN-K23QB 8.026 1.827 1.69E+04 1.49E+05 bx C20HN-C13HB3 8.004 2.712 2.03E+04 1.90E+05 bx C20HN-C13HB2 8.006 2.975 1.53E+04 1.34E+05 bx V9HN-Y10HB3 7.963 2.808 1.06E+04 8.56E+04 bx ?-? 7.919 3.558 9.29E+03 7.92E+04 bx ?-? 7.920 2.975 9.72E+03 7.67E+04 bx E6HN-C4HB3 7.770 3.097 4.11E+04 3.54E+05 bx E6HN-C4HB2 7.769 3.291 1.78E+04 1.44E+05 bx N30HD22-K29HG3 7.780 1.422 2.35E+04 1.96E+05 bx N30HD22-K29HG2 7.783 1.258 4.45E+04 3.61E+05 bx ?-? 7.783 1.939 1.13E+04 9.33E+04 bx A17HN-T15QG2 7.921 1.211 1.65E+04 1.39E+05 bx A17HN-I18QG2 7.919 0.905 1.87E+04 1.53E+05 bx V9HN-I11HG13 7.961 1.095 9.87E+03 7.70E+04 bx K25HN-V26QG1 8.237 0.959 1.94E+04 1.65E+05 bx I11HN-P12HD2 7.556 3.756 1.75E+04 1.45E+05 bx I11HN-P12HA 7.556 4.391 8.16E+03 6.59E+04 bx Y10QD-I11HG13 7.146 1.095 1.47E+04 1.25E+05 bx Y10QD-I11QD1 7.148 0.901 1.53E+04 1.24E+05 bx Y10QD-I11HG12 7.150 1.451 1.24E+04 1.07E+05 bx N30HD21-K29HG2 7.046 1.258 2.78E+04 2.24E+05 bx N30HD21-K29HG3 7.044 1.414 1.37E+04 1.14E+05 bx F14QD-T15HA 7.330 4.131 2.58E+04 2.09E+05 bx F14QD-C13HA 7.330 4.246 1.40E+04 1.22E+05 bx Y28QE-G1HA2 6.832 3.445 1.01E+05 8.11E+05 bx Y28QE-P3HD2 6.830 3.962 1.96E+05 1.60E+06 bx Y28QE-P3HA 6.832 4.125 2.76E+05 2.20E+06 bx Y28QE-P3HD3 6.832 3.683 7.27E+04 5.67E+05 bx Y28QE-K23QB 6.832 1.826 5.91E+05 4.89E+06 bx Y28QE-K23HG3 6.832 1.273 4.53E+04 3.53E+05 bx Y28QE-K23HD3 6.830 1.403 8.43E+04 6.82E+05 bx ?-? 7.685 1.000 1.02E+04 8.15E+04 bx K23HN-V26HA 9.575 4.285 8.25E+03 6.53E+04 bx G1HN-K29HA 8.609 4.661 3.71E+04 3.08E+05 bx K25HN-K23HA 8.234 4.625 3.60E+04 3.03E+05 bx F14QE-I11QG2 7.394 1.001 1.45E+04 1.15E+05 bx F14QD-I11QG2 7.336 0.997 1.34E+04 1.09E+05 bx C13HN-C8HB3 8.544 3.184 1.02E+05 8.35E+05 bx C13HN-C8HB2 8.544 3.276 4.32E+04 3.52E+05 bx ?-? 9.693 5.026 1.96E+04 1.61E+05 bx S21HN-Y28HA 9.520 5.212 7.58E+03 6.17E+04 bx C4HN-K29HG3 8.590 1.413 8.71E+03 7.29E+04 bx ?-? 8.591 1.225 8.49E+03 7.32E+04 bx V26HN-V26HA 8.033 4.289 -1.48E+04 -7.56E+04 bx I11HN-I11HA 7.558 4.673 1.53E+05 1.28E+06 bx F14QE-I18QG2 7.392 0.907 2.85E+04 2.38E+05 bx F14QD-I18QG2 7.334 0.906 3.43E+04 2.81E+05 bx C27HN-E6HN 7.983 7.766 2.64E+04 2.01E+05 bx G5HN-C27HB3 8.806 2.729 1.03E+04 8.37E+04 bx S7HN-V26QG1 8.793 0.965 1.11E+04 9.40E+04 bx ?-? 8.792 1.410 7.43E+03 6.16E+04 bx C4HN-C4HB2 8.587 3.292 1.09E+05 9.05E+05 bx V9HN-V9HA 7.965 3.466 1.77E+05 1.43E+06 bx A17HN-A17HA 7.919 4.316 1.64E+05 1.34E+06 bx I18HN-A16HA 7.633 4.580 6.57E+03 5.32E+04 bx C13HN-C8HA 8.545 5.306 9.63E+03 7.76E+04 bx Y28QE-V26HB 6.831 2.058 6.77E+05 5.52E+06 bx C22HN-C13HN 8.893 8.550 1.46E+04 1.14E+05 bx C22HN-C13HB2 8.895 2.974 5.40E+03 4.28E+04 bx N30HN-K29HN 9.693 9.357 2.80E+04 2.15E+05 bx Y10HN-I11QD1 8.270 0.909 1.68E+04 1.49E+05 bx C20HN-T15HA 8.002 4.131 1.33E+04 1.10E+05 bx C4HN-C27HB2 8.587 3.029 4.77E+04 4.24E+05 bx C4HN-C27HN 8.587 7.980 1.68E+04 1.40E+05 bx I11HN-I11HB 7.557 1.892 1.19E+05 9.98E+05 bx K29QZ-K29HG2 7.577 1.256 8.15E+03 6.83E+04 bx K29QZ-K29HG3 7.578 1.413 1.67E+04 1.52E+05 bx K29QZ-K29QB 7.575 1.944 1.77E+04 1.64E+05 bx K29QZ-K29QE 7.576 3.005 8.95E+04 7.50E+05 bx K25QZ-K25QE 7.541 2.958 2.89E+04 2.33E+05 bx K25QZ-K25HB2 7.538 2.282 2.68E+03 2.21E+04 bx K25QZ-K25QG 7.535 1.302 2.98E+03 2.82E+04 bx K25QZ-K25HD2 7.539 1.600 4.88E+03 4.10E+04 bx K25QZ-K25HD3 7.539 1.665 5.56E+03 4.97E+04 bx K23QZ-K23HG3 7.364 1.268 -3.55E+03 -2.61E+04 bx K23QZ-K23HD3 7.366 1.405 -3.93E+03 -3.32E+04 bx K23QZ-K23HD2 7.366 1.489 -5.54E+03 -4.55E+04 bx K23QZ-K23QB 7.364 1.823 2.82E+03 2.83E+04 bx K23QZ-K23QE 7.364 2.778 -1.36E+04 -1.16E+05 bx ?-? 6.831 1.486 2.91E+04 2.43E+05 bx I11HN-P12HD3 7.559 3.519 1.43E+04 1.24E+05 bx F14QD-P12HB2 7.336 2.280 1.40E+04 1.16E+05 bx C13HN-P12HD2 8.546 3.748 5.85E+03 4.73E+04 bx C13HN-P12HD3 8.545 3.522 7.99E+03 6.47E+04 bx F14QD-P12HD3 7.332 3.517 9.49E+03 7.59E+04 bx S7HN-E6HB2 8.792 1.849 1.35E+05 1.16E+06 bx S7HN-S7HA 8.791 4.726 7.53E+04 6.39E+05 bx ?-? 7.682 3.335 9.80E+03 8.33E+04 bx S7HN-S7HB3 8.792 3.937 2.12E+05 1.75E+06 bx C13HN-A16HN 8.546 7.689 1.11E+04 8.81E+04 bx A16HN-C13HB2 7.683 2.984 9.04E+04 7.36E+05 bx A16HN-C13HB3 7.682 2.712 9.15E+04 7.52E+05 bx ?-? 7.682 0.912 1.07E+04 8.83E+04 bx ?-? 8.803 4.288 8.75E+03 7.10E+04 bx V9HN-S7HB3 7.962 3.938 3.89E+04 3.18E+05 bx V9HN-C8HA 7.963 5.308 2.41E+05 1.96E+06 bx K29HN-K29QE 9.359 3.001 1.82E+04 1.67E+05 bx ?-? 8.239 2.053 1.65E+04 1.38E+05 bx G19HN-I18HG12 8.246 1.545 9.25E+03 7.94E+04 bx C27HN-S7HB3 7.982 3.940 1.59E+04 1.34E+05 bx G5HN-P3HB2 8.802 1.879 1.45E+05 1.23E+06 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 . . . . . . . . . . . 30938 1 2 . . N 15 . . . . . . . . . . . 30938 1 3 . . H 2 . . . . . . . . . . . 30938 1 stop_ save_