######################### # 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 bmse001183 _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 bmse001183 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 bmse001183 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001183 1 2 bmse001183 1 3 bmse001183 1 4 bmse001183 1 5 bmse001183 1 6 bmse001183 1 7 bmse001183 1 8 bmse001183 1 9 bmse001183 1 10 bmse001183 1 11 bmse001183 1 12 bmse001183 1 13 bmse001183 1 14 bmse001183 1 15 bmse001183 1 16 bmse001183 1 17 bmse001183 1 18 bmse001183 1 19 bmse001183 1 20 bmse001183 1 21 bmse001183 1 22 bmse001183 1 23 bmse001183 1 24 bmse001183 1 25 bmse001183 1 26 bmse001183 1 27 bmse001183 1 28 bmse001183 1 29 bmse001183 1 30 bmse001183 1 31 bmse001183 1 32 bmse001183 1 33 bmse001183 1 34 bmse001183 1 35 bmse001183 1 36 bmse001183 1 37 bmse001183 1 38 bmse001183 1 39 bmse001183 1 40 bmse001183 1 41 bmse001183 1 42 bmse001183 1 43 bmse001183 1 44 bmse001183 1 45 bmse001183 1 46 bmse001183 1 47 bmse001183 1 48 bmse001183 1 49 bmse001183 1 50 bmse001183 1 51 bmse001183 1 52 bmse001183 1 53 bmse001183 1 54 bmse001183 1 55 bmse001183 1 56 bmse001183 1 57 bmse001183 1 58 bmse001183 1 59 bmse001183 1 60 bmse001183 1 61 bmse001183 1 62 bmse001183 1 63 bmse001183 1 64 bmse001183 1 65 bmse001183 1 66 bmse001183 1 67 bmse001183 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 0.53 'relative height' bmse001183 1 2 0.69 'relative height' bmse001183 1 3 2.49 'relative height' bmse001183 1 4 2.75 'relative height' bmse001183 1 5 3.08 'relative height' bmse001183 1 6 3.21 'relative height' bmse001183 1 7 2.00 'relative height' bmse001183 1 8 1.84 'relative height' bmse001183 1 9 1.83 'relative height' bmse001183 1 10 1.71 'relative height' bmse001183 1 11 0.54 'relative height' bmse001183 1 12 0.52 'relative height' bmse001183 1 13 0.56 'relative height' bmse001183 1 14 0.93 'relative height' bmse001183 1 15 0.93 'relative height' bmse001183 1 16 0.47 'relative height' bmse001183 1 17 0.58 'relative height' bmse001183 1 18 0.58 'relative height' bmse001183 1 19 0.66 'relative height' bmse001183 1 20 0.37 'relative height' bmse001183 1 21 0.32 'relative height' bmse001183 1 22 0.51 'relative height' bmse001183 1 23 0.68 'relative height' bmse001183 1 24 0.47 'relative height' bmse001183 1 25 0.83 'relative height' bmse001183 1 26 1.23 'relative height' bmse001183 1 27 1.26 'relative height' bmse001183 1 28 1.10 'relative height' bmse001183 1 29 0.62 'relative height' bmse001183 1 30 0.78 'relative height' bmse001183 1 31 0.67 'relative height' bmse001183 1 32 0.20 'relative height' bmse001183 1 33 0.40 'relative height' bmse001183 1 34 0.63 'relative height' bmse001183 1 35 0.38 'relative height' bmse001183 1 36 0.48 'relative height' bmse001183 1 37 0.74 'relative height' bmse001183 1 38 0.62 'relative height' bmse001183 1 39 0.40 'relative height' bmse001183 1 40 0.77 'relative height' bmse001183 1 41 0.68 'relative height' bmse001183 1 42 0.65 'relative height' bmse001183 1 43 0.61 'relative height' bmse001183 1 44 0.28 'relative height' bmse001183 1 45 0.22 'relative height' bmse001183 1 46 0.73 'relative height' bmse001183 1 47 0.57 'relative height' bmse001183 1 48 0.37 'relative height' bmse001183 1 49 0.63 'relative height' bmse001183 1 50 1.53 'relative height' bmse001183 1 51 1.41 'relative height' bmse001183 1 52 0.08 'relative height' bmse001183 1 53 0.44 'relative height' bmse001183 1 54 0.48 'relative height' bmse001183 1 55 0.84 'relative height' bmse001183 1 56 0.79 'relative height' bmse001183 1 57 0.47 'relative height' bmse001183 1 58 0.41 'relative height' bmse001183 1 59 14.39 'relative height' bmse001183 1 60 0.09 'relative height' bmse001183 1 61 0.11 'relative height' bmse001183 1 62 0.50 'relative height' bmse001183 1 63 0.65 'relative height' bmse001183 1 64 15.00 'relative height' bmse001183 1 65 1.23 'relative height' bmse001183 1 66 0.54 'relative height' bmse001183 1 67 0.42 'relative height' bmse001183 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 12.0988 bmse001183 1 2 1 8.9560 bmse001183 1 3 1 6.7915 bmse001183 1 4 1 6.7749 bmse001183 1 5 1 6.6381 bmse001183 1 6 1 6.6332 bmse001183 1 7 1 6.4914 bmse001183 1 8 1 6.4865 bmse001183 1 9 1 6.4750 bmse001183 1 10 1 6.4701 bmse001183 1 11 1 3.3766 bmse001183 1 12 1 2.7368 bmse001183 1 13 1 2.7285 bmse001183 1 14 1 2.7054 bmse001183 1 15 1 2.6957 bmse001183 1 16 1 2.6357 bmse001183 1 17 1 2.6238 bmse001183 1 18 1 2.6102 bmse001183 1 19 1 2.5982 bmse001183 1 20 1 2.5777 bmse001183 1 21 1 2.5658 bmse001183 1 22 1 2.5106 bmse001183 1 23 1 2.5071 bmse001183 1 24 1 2.5035 bmse001183 1 25 1 2.1426 bmse001183 1 26 1 2.1159 bmse001183 1 27 1 2.1092 bmse001183 1 28 1 2.0804 bmse001183 1 29 1 2.0634 bmse001183 1 30 1 2.0477 bmse001183 1 31 1 2.0363 bmse001183 1 32 1 1.9567 bmse001183 1 33 1 1.9360 bmse001183 1 34 1 1.9292 bmse001183 1 35 1 1.9222 bmse001183 1 36 1 1.9086 bmse001183 1 37 1 1.9015 bmse001183 1 38 1 1.8953 bmse001183 1 39 1 1.8845 bmse001183 1 40 1 1.8699 bmse001183 1 41 1 1.8594 bmse001183 1 42 1 1.8436 bmse001183 1 43 1 1.8333 bmse001183 1 44 1 1.8181 bmse001183 1 45 1 1.8072 bmse001183 1 46 1 1.5347 bmse001183 1 47 1 1.5286 bmse001183 1 48 1 1.5208 bmse001183 1 49 1 1.5070 bmse001183 1 50 1 1.4507 bmse001183 1 51 1 1.4285 bmse001183 1 52 1 1.3281 bmse001183 1 53 1 1.2909 bmse001183 1 54 1 1.2833 bmse001183 1 55 1 1.2644 bmse001183 1 56 1 1.2567 bmse001183 1 57 1 1.2379 bmse001183 1 58 1 1.2303 bmse001183 1 59 1 1.2022 bmse001183 1 60 1 1.1542 bmse001183 1 61 1 1.0726 bmse001183 1 62 1 1.0548 bmse001183 1 63 1 1.0466 bmse001183 1 64 1 1.0301 bmse001183 1 65 1 1.0204 bmse001183 1 66 1 1.0015 bmse001183 1 67 1 0.9935 bmse001183 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 bmse001183 _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 bmse001183 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 bmse001183 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001183 3 2 bmse001183 3 3 bmse001183 3 4 bmse001183 3 5 bmse001183 3 6 bmse001183 3 7 bmse001183 3 8 bmse001183 3 9 bmse001183 3 10 bmse001183 3 11 bmse001183 3 12 bmse001183 3 13 bmse001183 3 14 bmse001183 3 15 bmse001183 3 16 bmse001183 3 17 bmse001183 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 1.53 'relative height' bmse001183 3 2 1.61 'relative height' bmse001183 3 3 1.05 'relative height' bmse001183 3 4 1.30 'relative height' bmse001183 3 5 1.16 'relative height' bmse001183 3 6 1.11 'relative height' bmse001183 3 7 1.37 'relative height' bmse001183 3 8 1.55 'relative height' bmse001183 3 9 2.74 'relative height' bmse001183 3 10 1.12 'relative height' bmse001183 3 11 2.71 'relative height' bmse001183 3 12 0.97 'relative height' bmse001183 3 13 1.17 'relative height' bmse001183 3 14 1.78 'relative height' bmse001183 3 15 2.45 'relative height' bmse001183 3 16 1.07 'relative height' bmse001183 3 17 1.10 'relative height' bmse001183 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 1 178.4842 bmse001183 3 2 1 155.0152 bmse001183 3 3 1 148.7337 bmse001183 3 4 1 129.4240 bmse001183 3 5 1 124.9460 bmse001183 3 6 1 112.8792 bmse001183 3 7 1 111.4368 bmse001183 3 8 1 51.7696 bmse001183 3 9 1 42.8981 bmse001183 3 10 1 38.9326 bmse001183 3 11 1 37.9656 bmse001183 3 12 1 36.9747 bmse001183 3 13 1 30.5586 bmse001183 3 14 1 28.2549 bmse001183 3 15 1 22.9265 bmse001183 3 16 1 20.8510 bmse001183 3 17 1 19.6019 bmse001183 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 16 178.4842 1 13 1 1 1 BMET001183 C15 bmse001183 3 10 1 7 38.9326 1 4 1 1 1 BMET001183 C8 bmse001183 3 11 1 5 37.9656 1 2 1 1 1 BMET001183 C16 bmse001183 3 12 1 9 36.9747 1 6 1 1 1 BMET001183 C9 bmse001183 3 13 1 13 30.5586 1 10 1 1 1 BMET001183 C5 bmse001183 3 14 1 15 28.2549 1 12 1 1 1 BMET001183 C2 bmse001183 3 15 1 12 22.9265 1 9 1 1 1 BMET001183 C1 bmse001183 3 16 1 8 20.8510 1 5 1 1 1 BMET001183 C7 bmse001183 3 17 1 10 19.6019 1 7 1 1 1 BMET001183 C3 bmse001183 3 2 1 19 155.0152 1 16 1 1 1 BMET001183 C12 bmse001183 3 3 1 11 148.7337 1 8 1 1 1 BMET001183 C13 bmse001183 3 4 1 18 129.4240 1 15 1 1 1 BMET001183 C4 bmse001183 3 5 1 14 124.9460 1 11 1 1 1 BMET001183 C11 bmse001183 3 6 1 20 112.8792 1 17 1 1 1 BMET001183 C6 bmse001183 3 7 1 17 111.4368 1 14 1 1 1 BMET001183 C10 bmse001183 3 8 1 4 51.7696 1 1 1 1 1 BMET001183 C14 bmse001183 3 9 1 6 42.8981 1 3 1 1 1 BMET001183 C17 bmse001183 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 bmse001183 _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 bmse001183 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 bmse001183 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001183 4 2 bmse001183 4 3 bmse001183 4 4 bmse001183 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 14.07 'relative height' bmse001183 4 2 12.35 'relative height' bmse001183 4 3 12.61 'relative height' bmse001183 4 4 15.00 'relative height' bmse001183 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 1 129.4107 bmse001183 4 2 1 112.8630 bmse001183 4 3 1 111.4196 bmse001183 4 4 1 51.7552 bmse001183 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 bmse001183 _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 bmse001183 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 bmse001183 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001183 5 2 bmse001183 5 3 bmse001183 5 4 bmse001183 5 5 bmse001183 5 6 bmse001183 5 7 bmse001183 5 8 bmse001183 5 9 bmse001183 5 10 bmse001183 5 11 bmse001183 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 8.60 'relative height' bmse001183 5 2 7.66 'relative height' bmse001183 5 3 7.81 'relative height' bmse001183 5 4 9.06 'relative height' bmse001183 5 5 -6.77 'relative height' bmse001183 5 6 -6.77 'relative height' bmse001183 5 7 -7.72 'relative height' bmse001183 5 8 15.00 'relative height' bmse001183 5 9 13.89 'relative height' bmse001183 5 10 -7.08 'relative height' bmse001183 5 11 -7.15 'relative height' bmse001183 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 1 129.4262 bmse001183 5 2 1 112.8785 bmse001183 5 3 1 111.4351 bmse001183 5 4 1 51.7707 bmse001183 5 5 1 38.9319 bmse001183 5 6 1 36.9741 bmse001183 5 7 1 30.5573 bmse001183 5 8 1 28.2557 bmse001183 5 9 1 22.9243 bmse001183 5 10 1 20.8504 bmse001183 5 11 1 19.5999 bmse001183 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 bmse001183 _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 bmse001183 6 2 H 1 'Full H' 12.99 ppm bmse001183 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 bmse001183 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001183 6 2 bmse001183 6 3 bmse001183 6 4 bmse001183 6 5 bmse001183 6 6 bmse001183 6 7 bmse001183 6 8 bmse001183 6 9 bmse001183 6 10 bmse001183 6 11 bmse001183 6 12 bmse001183 6 13 bmse001183 6 14 bmse001183 6 15 bmse001183 6 16 bmse001183 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 192079.60 'absolute height' bmse001183 6 2 199216.34 'absolute height' bmse001183 6 3 163054.09 'absolute height' bmse001183 6 4 143327.27 'absolute height' bmse001183 6 5 73324.02 'absolute height' bmse001183 6 6 66653.29 'absolute height' bmse001183 6 7 89038.58 'absolute height' bmse001183 6 8 87884.05 'absolute height' bmse001183 6 9 74783.43 'absolute height' bmse001183 6 10 93361.90 'absolute height' bmse001183 6 11 471877.48 'absolute height' bmse001183 6 12 344931.87 'absolute height' bmse001183 6 13 92141.19 'absolute height' bmse001183 6 14 63143.60 'absolute height' bmse001183 6 15 48602.20 'absolute height' bmse001183 6 16 78497.44 'absolute height' bmse001183 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 1 129.5310 bmse001183 6 1 2 6.7825 bmse001183 6 2 1 112.8684 bmse001183 6 2 2 6.4793 bmse001183 6 3 1 111.5186 bmse001183 6 3 2 6.6380 bmse001183 6 4 1 51.7487 bmse001183 6 4 2 1.4405 bmse001183 6 5 1 38.8972 bmse001183 6 5 2 1.2614 bmse001183 6 6 1 36.9259 bmse001183 6 6 2 1.0241 bmse001183 6 7 1 38.8796 bmse001183 6 7 2 2.1308 bmse001183 6 8 1 36.9259 bmse001183 6 8 2 2.0882 bmse001183 6 9 1 30.6367 bmse001183 6 9 2 2.6056 bmse001183 6 10 1 30.6367 bmse001183 6 10 2 2.7090 bmse001183 6 11 1 28.2547 bmse001183 6 11 2 1.2032 bmse001183 6 12 1 22.9159 bmse001183 6 12 2 1.0307 bmse001183 6 13 1 20.9446 bmse001183 6 13 2 2.0615 bmse001183 6 14 1 20.9036 bmse001183 6 14 2 1.8507 bmse001183 6 15 1 19.5483 bmse001183 6 15 2 1.9159 bmse001183 6 16 1 19.5073 bmse001183 6 16 2 1.5212 bmse001183 6 stop_ save_