######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011657 _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.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _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 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011657 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 bmse011657 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011657 1 2 bmse011657 1 3 bmse011657 1 4 bmse011657 1 7 bmse011657 1 8 bmse011657 1 9 bmse011657 1 10 bmse011657 1 11 bmse011657 1 13 bmse011657 1 14 bmse011657 1 15 bmse011657 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 3.2851 4_m bmse011657 1 2 1 4.6500 SUP bmse011657 1 3 1 2.9403 10,13_m bmse011657 1 4 1 1.5297 7_ddd_Q2 bmse011657 1 5 1 2.6304 DMSO_8_m bmse011657 1 6 1 3.9546 9_m bmse011657 1 7 1 7.2477 14,15,18_m bmse011657 1 8 1 3.1065 10_m_Q3 bmse011657 1 9 1 7.3426 16,17_dd bmse011657 1 10 1 2.0789 6,7,12_m bmse011657 1 11 1 3.3761 3_m bmse011657 1 12 1 1.4069 6_ddd_Q1 bmse011657 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 7.7028 bmse011657 1 2 2 1 0.0000 bmse011657 1 3 3 1 59.4153 bmse011657 1 4 4 1 24.7864 bmse011657 1 5 4 1 12.5170 bmse011657 1 6 4 1 4.5391 bmse011657 1 7 5 1 75.5821 bmse011657 1 8 6 1 3.5029 bmse011657 1 9 7 1 71.0938 bmse011657 1 10 8 1 7.4001 bmse011657 1 11 9 1 7.4827 bmse011657 1 12 9 1 7.4827 bmse011657 1 13 10 1 76.1340 bmse011657 1 14 11 1 3.5457 bmse011657 1 15 12 1 24.8414 bmse011657 1 16 12 1 12.4620 bmse011657 1 17 12 1 4.4841 bmse011657 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011657 1 2 bmse011657 1 3 bmse011657 1 4 bmse011657 1 5 bmse011657 1 6 bmse011657 1 7 bmse011657 1 8 bmse011657 1 9 bmse011657 1 10 bmse011657 1 11 bmse011657 1 12 bmse011657 1 13 bmse011657 1 14 bmse011657 1 15 bmse011657 1 16 bmse011657 1 17 bmse011657 1 18 bmse011657 1 19 bmse011657 1 20 bmse011657 1 21 bmse011657 1 22 bmse011657 1 23 bmse011657 1 24 bmse011657 1 25 bmse011657 1 26 bmse011657 1 27 bmse011657 1 28 bmse011657 1 29 bmse011657 1 30 bmse011657 1 31 bmse011657 1 32 bmse011657 1 33 bmse011657 1 34 bmse011657 1 35 bmse011657 1 36 bmse011657 1 37 bmse011657 1 38 bmse011657 1 39 bmse011657 1 40 bmse011657 1 41 bmse011657 1 42 bmse011657 1 43 bmse011657 1 44 bmse011657 1 45 bmse011657 1 46 bmse011657 1 47 bmse011657 1 48 bmse011657 1 49 bmse011657 1 50 bmse011657 1 51 bmse011657 1 52 bmse011657 1 53 bmse011657 1 54 bmse011657 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 3.2980 bmse011657 1 2 1 3.2855 bmse011657 1 3 1 3.2723 bmse011657 1 4 1 4.6500 bmse011657 1 5 1 2.9898 bmse011657 1 6 1 2.8908 bmse011657 1 7 1 1.5646 bmse011657 1 8 1 1.5569 bmse011657 1 9 1 1.5437 bmse011657 1 10 1 1.5362 bmse011657 1 11 1 1.5232 bmse011657 1 12 1 1.5158 bmse011657 1 13 1 1.5024 bmse011657 1 14 1 1.4947 bmse011657 1 15 1 2.6934 bmse011657 1 16 1 2.5674 bmse011657 1 17 1 3.9721 bmse011657 1 18 1 3.9686 bmse011657 1 19 1 3.9652 bmse011657 1 20 1 3.9481 bmse011657 1 21 1 3.9448 bmse011657 1 22 1 3.9417 bmse011657 1 23 1 3.9371 bmse011657 1 24 1 7.3069 bmse011657 1 25 1 7.1885 bmse011657 1 26 1 3.1311 bmse011657 1 27 1 3.1271 bmse011657 1 28 1 3.1065 bmse011657 1 29 1 3.0862 bmse011657 1 30 1 3.0818 bmse011657 1 31 1 7.3551 bmse011657 1 32 1 7.3426 bmse011657 1 33 1 7.3426 bmse011657 1 34 1 7.3301 bmse011657 1 35 1 2.1423 bmse011657 1 36 1 2.0155 bmse011657 1 37 1 3.4027 bmse011657 1 38 1 3.4023 bmse011657 1 39 1 3.3959 bmse011657 1 40 1 3.3889 bmse011657 1 41 1 3.3830 bmse011657 1 42 1 3.3761 bmse011657 1 43 1 3.3693 bmse011657 1 44 1 3.3634 bmse011657 1 45 1 3.3563 bmse011657 1 46 1 3.3495 bmse011657 1 47 1 1.4418 bmse011657 1 48 1 1.4342 bmse011657 1 49 1 1.4209 bmse011657 1 50 1 1.4135 bmse011657 1 51 1 1.4003 bmse011657 1 52 1 1.3928 bmse011657 1 53 1 1.3796 bmse011657 1 54 1 1.3721 bmse011657 1 stop_ save_