######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01 _Spectral_peak_list.Entry_ID bmse001118 _Spectral_peak_list.ID 1 _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.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'Full H' 16.03 ppm bmse001118 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse001118 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001118 1 2 bmse001118 1 3 bmse001118 1 4 bmse001118 1 5 bmse001118 1 6 bmse001118 1 7 bmse001118 1 8 bmse001118 1 9 bmse001118 1 10 bmse001118 1 11 bmse001118 1 12 bmse001118 1 13 bmse001118 1 14 bmse001118 1 15 bmse001118 1 16 bmse001118 1 17 bmse001118 1 18 bmse001118 1 19 bmse001118 1 20 bmse001118 1 21 bmse001118 1 22 bmse001118 1 23 bmse001118 1 24 bmse001118 1 25 bmse001118 1 26 bmse001118 1 27 bmse001118 1 28 bmse001118 1 29 bmse001118 1 30 bmse001118 1 31 bmse001118 1 32 bmse001118 1 33 bmse001118 1 34 bmse001118 1 35 bmse001118 1 36 bmse001118 1 37 bmse001118 1 38 bmse001118 1 39 bmse001118 1 40 bmse001118 1 41 bmse001118 1 42 bmse001118 1 43 bmse001118 1 44 bmse001118 1 45 bmse001118 1 46 bmse001118 1 47 bmse001118 1 48 bmse001118 1 49 bmse001118 1 50 bmse001118 1 51 bmse001118 1 52 bmse001118 1 53 bmse001118 1 54 bmse001118 1 55 bmse001118 1 56 bmse001118 1 57 bmse001118 1 58 bmse001118 1 59 bmse001118 1 60 bmse001118 1 61 bmse001118 1 62 bmse001118 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 0.19 'relative height' bmse001118 1 2 0.26 'relative height' bmse001118 1 3 0.33 'relative height' bmse001118 1 4 0.23 'relative height' bmse001118 1 5 0.17 'relative height' bmse001118 1 6 0.18 'relative height' bmse001118 1 7 0.22 'relative height' bmse001118 1 8 0.21 'relative height' bmse001118 1 9 0.27 'relative height' bmse001118 1 10 0.19 'relative height' bmse001118 1 11 0.22 'relative height' bmse001118 1 12 0.15 'relative height' bmse001118 1 13 0.22 'relative height' bmse001118 1 14 0.17 'relative height' bmse001118 1 15 0.18 'relative height' bmse001118 1 16 0.21 'relative height' bmse001118 1 17 0.25 'relative height' bmse001118 1 18 0.33 'relative height' bmse001118 1 19 0.15 'relative height' bmse001118 1 20 0.47 'relative height' bmse001118 1 21 0.24 'relative height' bmse001118 1 22 0.26 'relative height' bmse001118 1 23 0.20 'relative height' bmse001118 1 24 0.20 'relative height' bmse001118 1 25 0.31 'relative height' bmse001118 1 26 0.25 'relative height' bmse001118 1 27 0.23 'relative height' bmse001118 1 28 0.15 'relative height' bmse001118 1 29 0.15 'relative height' bmse001118 1 30 0.13 'relative height' bmse001118 1 31 0.19 'relative height' bmse001118 1 32 0.25 'relative height' bmse001118 1 33 0.16 'relative height' bmse001118 1 34 0.18 'relative height' bmse001118 1 35 0.29 'relative height' bmse001118 1 36 0.28 'relative height' bmse001118 1 37 0.24 'relative height' bmse001118 1 38 0.36 'relative height' bmse001118 1 39 0.24 'relative height' bmse001118 1 40 0.20 'relative height' bmse001118 1 41 0.20 'relative height' bmse001118 1 42 0.27 'relative height' bmse001118 1 43 0.20 'relative height' bmse001118 1 44 0.20 'relative height' bmse001118 1 45 0.31 'relative height' bmse001118 1 46 0.25 'relative height' bmse001118 1 47 0.25 'relative height' bmse001118 1 48 0.27 'relative height' bmse001118 1 49 0.25 'relative height' bmse001118 1 50 0.27 'relative height' bmse001118 1 51 0.32 'relative height' bmse001118 1 52 0.34 'relative height' bmse001118 1 53 0.26 'relative height' bmse001118 1 54 0.49 'relative height' bmse001118 1 55 0.17 'relative height' bmse001118 1 56 0.15 'relative height' bmse001118 1 57 0.14 'relative height' bmse001118 1 58 0.14 'relative height' bmse001118 1 59 0.18 'relative height' bmse001118 1 60 0.19 'relative height' bmse001118 1 61 3.44 'relative height' bmse001118 1 62 3.33 'relative height' bmse001118 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 3.9709 bmse001118 1 2 1 2.5095 bmse001118 1 3 1 2.5060 bmse001118 1 4 1 2.5026 bmse001118 1 5 1 2.4007 bmse001118 1 6 1 2.3840 bmse001118 1 7 1 2.3624 bmse001118 1 8 1 2.3455 bmse001118 1 9 1 2.0271 bmse001118 1 10 1 2.0085 bmse001118 1 11 1 1.9888 bmse001118 1 12 1 1.8631 bmse001118 1 13 1 1.8523 bmse001118 1 14 1 1.8448 bmse001118 1 15 1 1.8407 bmse001118 1 16 1 1.8344 bmse001118 1 17 1 1.8246 bmse001118 1 18 1 1.7244 bmse001118 1 19 1 1.7145 bmse001118 1 20 1 1.7027 bmse001118 1 21 1 1.6791 bmse001118 1 22 1 1.6557 bmse001118 1 23 1 1.6446 bmse001118 1 24 1 1.6406 bmse001118 1 25 1 1.6296 bmse001118 1 26 1 1.6234 bmse001118 1 27 1 1.5994 bmse001118 1 28 1 1.5918 bmse001118 1 29 1 1.5738 bmse001118 1 30 1 1.5450 bmse001118 1 31 1 1.5225 bmse001118 1 32 1 1.5052 bmse001118 1 33 1 1.4918 bmse001118 1 34 1 1.4830 bmse001118 1 35 1 1.4746 bmse001118 1 36 1 1.4671 bmse001118 1 37 1 1.4560 bmse001118 1 38 1 1.4496 bmse001118 1 39 1 1.4432 bmse001118 1 40 1 1.4373 bmse001118 1 41 1 1.4311 bmse001118 1 42 1 1.4253 bmse001118 1 43 1 1.4155 bmse001118 1 44 1 1.4077 bmse001118 1 45 1 1.3684 bmse001118 1 46 1 1.3574 bmse001118 1 47 1 1.3473 bmse001118 1 48 1 1.3433 bmse001118 1 49 1 1.3365 bmse001118 1 50 1 1.2459 bmse001118 1 51 1 1.2186 bmse001118 1 52 1 1.2017 bmse001118 1 53 1 1.1959 bmse001118 1 54 1 1.1862 bmse001118 1 55 1 1.1714 bmse001118 1 56 1 1.1526 bmse001118 1 57 1 1.1465 bmse001118 1 58 1 0.9558 bmse001118 1 59 1 0.9341 bmse001118 1 60 1 0.9279 bmse001118 1 61 1 0.9066 bmse001118 1 62 1 0.7651 bmse001118 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_13C_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01 _Spectral_peak_list.Entry_ID bmse001118 _Spectral_peak_list.ID 3 _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.Experiment_ID 3 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'Full C' 248.61 ppm bmse001118 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse001118 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001118 3 2 bmse001118 3 3 bmse001118 3 4 bmse001118 3 5 bmse001118 3 6 bmse001118 3 7 bmse001118 3 8 bmse001118 3 9 bmse001118 3 10 bmse001118 3 11 bmse001118 3 12 bmse001118 3 13 bmse001118 3 14 bmse001118 3 15 bmse001118 3 16 bmse001118 3 17 bmse001118 3 18 bmse001118 3 19 bmse001118 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 0.84 'relative height' bmse001118 3 2 1.24 'relative height' bmse001118 3 3 1.22 'relative height' bmse001118 3 4 1.78 'relative height' bmse001118 3 5 1.80 'relative height' bmse001118 3 6 1.45 'relative height' bmse001118 3 7 0.93 'relative height' bmse001118 3 8 1.27 'relative height' bmse001118 3 9 1.67 'relative height' bmse001118 3 10 1.38 'relative height' bmse001118 3 11 1.17 'relative height' bmse001118 3 12 1.17 'relative height' bmse001118 3 13 1.08 'relative height' bmse001118 3 14 1.09 'relative height' bmse001118 3 15 0.94 'relative height' bmse001118 3 16 2.16 'relative height' bmse001118 3 17 1.17 'relative height' bmse001118 3 18 1.09 'relative height' bmse001118 3 19 1.33 'relative height' bmse001118 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 219.9719 bmse001118 3 2 1 75.5724 bmse001118 3 3 1 50.6040 bmse001118 3 4 1 47.1805 bmse001118 3 5 1 41.6336 bmse001118 3 6 1 40.0943 bmse001118 3 7 1 35.4144 bmse001118 3 8 1 35.0932 bmse001118 3 9 1 34.8357 bmse001118 3 10 1 34.3182 bmse001118 3 11 1 33.2864 bmse001118 3 12 1 31.4905 bmse001118 3 13 1 27.6517 bmse001118 3 14 1 26.5866 bmse001118 3 15 1 24.9605 bmse001118 3 16 1 23.1354 bmse001118 3 17 1 21.4282 bmse001118 3 18 1 19.6903 bmse001118 3 19 1 13.4373 bmse001118 3 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Assembly_atom_ID _Assigned_spectral_transition.Val _Assigned_spectral_transition.Assigned_chem_shift_list_ID _Assigned_spectral_transition.Atom_chem_shift_ID _Assigned_spectral_transition.Entity_assembly_ID _Assigned_spectral_transition.Entity_ID _Assigned_spectral_transition.Comp_index_ID _Assigned_spectral_transition.Comp_ID _Assigned_spectral_transition.Atom_ID _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 1 1 11 219.9719 1 11 1 1 1 BMET001118 C11 bmse001118 3 10 1 19 34.3182 1 18 1 1 1 BMET001118 C19 bmse001118 3 16 1 20 23.1354 1 19 1 1 1 BMET001118 C20 bmse001118 3 19 1 14 13.4373 1 13 1 1 1 BMET001118 C14 bmse001118 3 2 1 23 75.5724 1 22 1 1 1 BMET001118 C23 bmse001118 3 4 1 13 47.1805 1 12 1 1 1 BMET001118 C13 bmse001118 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Entry_ID bmse001118 _Spectral_peak_list.ID 4 _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.Experiment_ID 4 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'Full C' 236.77 ppm bmse001118 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse001118 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001118 4 2 bmse001118 4 3 bmse001118 4 4 bmse001118 4 5 bmse001118 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 14.01 'relative height' bmse001118 4 2 10.09 'relative height' bmse001118 4 3 15.00 'relative height' bmse001118 4 4 14.10 'relative height' bmse001118 4 5 12.15 'relative height' bmse001118 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 75.5860 bmse001118 4 2 1 50.6168 bmse001118 4 3 1 41.6426 bmse001118 4 4 1 40.1037 bmse001118 4 5 1 34.8432 bmse001118 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Entry_ID bmse001118 _Spectral_peak_list.ID 5 _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.Experiment_ID 5 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'Full C' 236.77 ppm bmse001118 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse001118 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001118 5 2 bmse001118 5 3 bmse001118 5 4 bmse001118 5 5 bmse001118 5 6 bmse001118 5 7 bmse001118 5 8 bmse001118 5 9 bmse001118 5 10 bmse001118 5 11 bmse001118 5 12 bmse001118 5 13 bmse001118 5 14 bmse001118 5 15 bmse001118 5 16 bmse001118 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 13.43 'relative height' bmse001118 5 2 9.97 'relative height' bmse001118 5 3 14.61 'relative height' bmse001118 5 4 13.84 'relative height' bmse001118 5 5 -9.35 'relative height' bmse001118 5 6 -9.47 'relative height' bmse001118 5 7 12.17 'relative height' bmse001118 5 8 -8.89 'relative height' bmse001118 5 9 -9.89 'relative height' bmse001118 5 10 -10.28 'relative height' bmse001118 5 11 -9.73 'relative height' bmse001118 5 12 -8.97 'relative height' bmse001118 5 13 13.98 'relative height' bmse001118 5 14 -9.12 'relative height' bmse001118 5 15 -8.36 'relative height' bmse001118 5 16 15.00 'relative height' bmse001118 5 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 75.6002 bmse001118 5 2 1 50.6309 bmse001118 5 3 1 41.6565 bmse001118 5 4 1 40.1177 bmse001118 5 5 1 35.4359 bmse001118 5 6 1 35.1154 bmse001118 5 7 1 34.8571 bmse001118 5 8 1 33.3067 bmse001118 5 9 1 31.5114 bmse001118 5 10 1 27.6731 bmse001118 5 11 1 26.6047 bmse001118 5 12 1 24.9790 bmse001118 5 13 1 23.1564 bmse001118 5 14 1 21.4461 bmse001118 5 15 1 19.7091 bmse001118 5 16 1 13.4520 bmse001118 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H_13C_HSQC_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H_13C_HSQC_set01 _Spectral_peak_list.Entry_ID bmse001118 _Spectral_peak_list.ID 6 _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.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'Full C' 165.64 ppm bmse001118 6 2 H 1 'Full H' 12.99 ppm bmse001118 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse001118 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001118 6 2 bmse001118 6 3 bmse001118 6 4 bmse001118 6 5 bmse001118 6 6 bmse001118 6 7 bmse001118 6 8 bmse001118 6 9 bmse001118 6 10 bmse001118 6 11 bmse001118 6 12 bmse001118 6 13 bmse001118 6 14 bmse001118 6 15 bmse001118 6 16 bmse001118 6 17 bmse001118 6 18 bmse001118 6 19 bmse001118 6 20 bmse001118 6 21 bmse001118 6 22 bmse001118 6 23 bmse001118 6 24 bmse001118 6 25 bmse001118 6 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 91805.33 'absolute height' bmse001118 6 2 63251.05 'absolute height' bmse001118 6 3 61750.14 'absolute height' bmse001118 6 4 61175.24 'absolute height' bmse001118 6 5 65038.32 'absolute height' bmse001118 6 6 89659.01 'absolute height' bmse001118 6 7 88333.87 'absolute height' bmse001118 6 8 86751.79 'absolute height' bmse001118 6 9 51554.00 'absolute height' bmse001118 6 10 56145.54 'absolute height' bmse001118 6 11 69864.27 'absolute height' bmse001118 6 12 53257.98 'absolute height' bmse001118 6 13 57174.40 'absolute height' bmse001118 6 14 43402.66 'absolute height' bmse001118 6 15 65813.51 'absolute height' bmse001118 6 16 55051.25 'absolute height' bmse001118 6 17 51150.98 'absolute height' bmse001118 6 18 40465.96 'absolute height' bmse001118 6 19 62457.11 'absolute height' bmse001118 6 20 323576.85 'absolute height' bmse001118 6 21 333388.49 'absolute height' bmse001118 6 22 37238.68 'absolute height' bmse001118 6 23 67495.13 'absolute height' bmse001118 6 24 66033.26 'absolute height' bmse001118 6 25 63368.98 'absolute height' bmse001118 6 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 75.5813 bmse001118 6 1 2 3.9778 bmse001118 6 2 1 50.6798 bmse001118 6 2 2 1.3614 bmse001118 6 3 1 41.6960 bmse001118 6 3 2 1.3701 bmse001118 6 4 1 40.2860 bmse001118 6 4 2 1.4179 bmse001118 6 5 1 35.2258 bmse001118 6 5 2 0.9427 bmse001118 6 6 1 31.6953 bmse001118 6 6 2 1.2015 bmse001118 6 7 1 31.6553 bmse001118 6 7 2 1.6483 bmse001118 6 8 1 33.3207 bmse001118 6 8 2 1.6021 bmse001118 6 9 1 33.3473 bmse001118 6 9 2 1.6729 bmse001118 6 10 1 34.9860 bmse001118 6 10 2 1.5466 bmse001118 6 11 1 35.2258 bmse001118 6 11 2 1.7314 bmse001118 6 12 1 35.5989 bmse001118 6 12 2 2.0180 bmse001118 6 13 1 35.5989 bmse001118 6 13 2 2.3846 bmse001118 6 14 1 27.7336 bmse001118 6 14 2 1.2467 bmse001118 6 15 1 27.7336 bmse001118 6 15 2 1.7243 bmse001118 6 16 1 26.7174 bmse001118 6 16 2 1.2537 bmse001118 6 17 1 26.6751 bmse001118 6 17 2 1.8402 bmse001118 6 18 1 25.0238 bmse001118 6 18 2 1.1519 bmse001118 6 19 1 25.0238 bmse001118 6 19 2 1.5101 bmse001118 6 20 1 23.2031 bmse001118 6 20 2 0.9201 bmse001118 6 21 1 13.6339 bmse001118 6 21 2 0.7831 bmse001118 6 22 1 21.5518 bmse001118 6 22 2 1.4504 bmse001118 6 23 1 21.5518 bmse001118 6 23 2 1.8612 bmse001118 6 24 1 19.6888 bmse001118 6 24 2 1.2010 bmse001118 6 25 1 19.7311 bmse001118 6 25 2 1.4714 bmse001118 6 stop_ save_