######################### # 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 bmse011575 _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 bmse011575 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 bmse011575 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011575 1 2 bmse011575 1 3 bmse011575 1 4 bmse011575 1 5 bmse011575 1 6 bmse011575 1 7 bmse011575 1 8 bmse011575 1 9 bmse011575 1 10 bmse011575 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 2.8506 12,13_d bmse011575 1 2 1 4.6500 SUP bmse011575 1 3 1 2.9242 12,13_m bmse011575 1 4 1 3.3518 9,10_m bmse011575 1 5 1 2.0806 5,11_m bmse011575 1 6 1 2.6028 DMSO bmse011575 1 7 1 1.8668 14,15_d_Q3 bmse011575 1 8 1 1.0495 7,8_m bmse011575 1 9 1 1.4287 14,15_m_Q2 bmse011575 1 10 1 0.8698 7,8_m_Q1 bmse011575 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 7.2626 bmse011575 1 2 2 1 0.0000 bmse011575 1 3 3 1 5.8321 bmse011575 1 4 4 1 74.6245 bmse011575 1 5 5 1 110.2993 bmse011575 1 6 6 1 1.9532 bmse011575 1 7 7 1 14.9654 bmse011575 1 8 8 1 3.9394 bmse011575 1 9 9 1 4.8662 bmse011575 1 10 10 1 3.1911 bmse011575 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011575 1 2 bmse011575 1 3 bmse011575 1 4 bmse011575 1 5 bmse011575 1 6 bmse011575 1 7 bmse011575 1 8 bmse011575 1 9 bmse011575 1 10 bmse011575 1 11 bmse011575 1 12 bmse011575 1 13 bmse011575 1 14 bmse011575 1 15 bmse011575 1 16 bmse011575 1 17 bmse011575 1 18 bmse011575 1 19 bmse011575 1 20 bmse011575 1 21 bmse011575 1 22 bmse011575 1 23 bmse011575 1 24 bmse011575 1 25 bmse011575 1 26 bmse011575 1 27 bmse011575 1 28 bmse011575 1 29 bmse011575 1 30 bmse011575 1 31 bmse011575 1 32 bmse011575 1 33 bmse011575 1 34 bmse011575 1 35 bmse011575 1 36 bmse011575 1 37 bmse011575 1 38 bmse011575 1 39 bmse011575 1 40 bmse011575 1 41 bmse011575 1 42 bmse011575 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 2.8445 bmse011575 1 2 1 2.8566 bmse011575 1 3 1 4.6500 bmse011575 1 4 1 2.9485 bmse011575 1 5 1 2.9437 bmse011575 1 6 1 2.9267 bmse011575 1 7 1 2.9217 bmse011575 1 8 1 2.9049 bmse011575 1 9 1 2.8999 bmse011575 1 10 1 3.4139 bmse011575 1 11 1 3.2896 bmse011575 1 12 1 2.1725 bmse011575 1 13 1 1.9887 bmse011575 1 14 1 2.5963 bmse011575 1 15 1 2.5998 bmse011575 1 16 1 2.6029 bmse011575 1 17 1 2.6058 bmse011575 1 18 1 2.6093 bmse011575 1 19 1 1.8543 bmse011575 1 20 1 1.8792 bmse011575 1 21 1 1.0659 bmse011575 1 22 1 1.0584 bmse011575 1 23 1 1.0543 bmse011575 1 24 1 1.0443 bmse011575 1 25 1 1.0402 bmse011575 1 26 1 1.0331 bmse011575 1 27 1 1.4652 bmse011575 1 28 1 1.4584 bmse011575 1 29 1 1.4401 bmse011575 1 30 1 1.4361 bmse011575 1 31 1 1.4210 bmse011575 1 32 1 1.4205 bmse011575 1 33 1 1.4170 bmse011575 1 34 1 1.4143 bmse011575 1 35 1 1.3990 bmse011575 1 36 1 1.3923 bmse011575 1 37 1 0.8831 bmse011575 1 38 1 0.8758 bmse011575 1 39 1 0.8721 bmse011575 1 40 1 0.8679 bmse011575 1 41 1 0.8640 bmse011575 1 42 1 0.8565 bmse011575 1 stop_ save_