######################### # 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 bmse011654 _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 bmse011654 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 bmse011654 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011654 1 2 bmse011654 1 3 bmse011654 1 4 bmse011654 1 5 bmse011654 1 6 bmse011654 1 7 bmse011654 1 8 bmse011654 1 9 bmse011654 1 10 bmse011654 1 11 bmse011654 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 2.7188 Imp2 bmse011654 1 2 1 4.6500 SUP bmse011654 1 3 1 7.4334 m_3H bmse011654 1 4 1 1.2045 m_3H_Q1 bmse011654 1 5 1 2.9904 m_1H bmse011654 1 6 1 7.3291 d_2H bmse011654 1 7 1 0.7773 s_9H bmse011654 1 8 1 1.8099 m_1H bmse011654 1 9 1 3.6485 m_1H bmse011654 1 10 1 2.6027 DMSO bmse011654 1 11 1 1.6009 dd_1H bmse011654 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 0.0000 bmse011654 1 2 2 1 0.0000 bmse011654 1 3 3 1 2.9711 bmse011654 1 4 4 1 5.1465 bmse011654 1 5 5 1 5.7881 bmse011654 1 6 6 1 6.7124 bmse011654 1 7 7 1 0.0000 bmse011654 1 8 8 1 3.5653 bmse011654 1 9 9 1 3.4332 bmse011654 1 10 10 1 1.9807 bmse011654 1 11 11 1 13.3148 bmse011654 1 12 11 1 2.5309 bmse011654 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011654 1 2 bmse011654 1 3 bmse011654 1 4 bmse011654 1 5 bmse011654 1 6 bmse011654 1 7 bmse011654 1 8 bmse011654 1 9 bmse011654 1 10 bmse011654 1 11 bmse011654 1 12 bmse011654 1 13 bmse011654 1 14 bmse011654 1 15 bmse011654 1 16 bmse011654 1 17 bmse011654 1 18 bmse011654 1 19 bmse011654 1 20 bmse011654 1 21 bmse011654 1 22 bmse011654 1 23 bmse011654 1 24 bmse011654 1 25 bmse011654 1 26 bmse011654 1 27 bmse011654 1 28 bmse011654 1 29 bmse011654 1 30 bmse011654 1 31 bmse011654 1 32 bmse011654 1 33 bmse011654 1 34 bmse011654 1 35 bmse011654 1 36 bmse011654 1 37 bmse011654 1 38 bmse011654 1 39 bmse011654 1 40 bmse011654 1 41 bmse011654 1 42 bmse011654 1 43 bmse011654 1 44 bmse011654 1 45 bmse011654 1 46 bmse011654 1 47 bmse011654 1 48 bmse011654 1 49 bmse011654 1 50 bmse011654 1 51 bmse011654 1 52 bmse011654 1 53 bmse011654 1 54 bmse011654 1 55 bmse011654 1 56 bmse011654 1 57 bmse011654 1 58 bmse011654 1 59 bmse011654 1 60 bmse011654 1 61 bmse011654 1 62 bmse011654 1 63 bmse011654 1 64 bmse011654 1 65 bmse011654 1 66 bmse011654 1 67 bmse011654 1 68 bmse011654 1 69 bmse011654 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 2.7188 bmse011654 1 2 1 4.6500 bmse011654 1 3 1 7.4557 bmse011654 1 4 1 7.4511 bmse011654 1 5 1 7.4440 bmse011654 1 6 1 7.4414 bmse011654 1 7 1 7.4378 bmse011654 1 8 1 7.4348 bmse011654 1 9 1 7.4284 bmse011654 1 10 1 7.4255 bmse011654 1 11 1 7.4143 bmse011654 1 12 1 7.4112 bmse011654 1 13 1 1.3160 bmse011654 1 14 1 1.3105 bmse011654 1 15 1 1.3050 bmse011654 1 16 1 1.2958 bmse011654 1 17 1 1.2905 bmse011654 1 18 1 1.2855 bmse011654 1 19 1 1.2758 bmse011654 1 20 1 1.2707 bmse011654 1 21 1 1.2657 bmse011654 1 22 1 1.2654 bmse011654 1 23 1 1.2533 bmse011654 1 24 1 1.2467 bmse011654 1 25 1 1.2324 bmse011654 1 26 1 1.2254 bmse011654 1 27 1 1.2113 bmse011654 1 28 1 1.2045 bmse011654 1 29 1 1.1904 bmse011654 1 30 1 1.1834 bmse011654 1 31 1 1.1636 bmse011654 1 32 1 1.1563 bmse011654 1 33 1 1.1418 bmse011654 1 34 1 1.1348 bmse011654 1 35 1 1.1211 bmse011654 1 36 1 1.1204 bmse011654 1 37 1 1.1145 bmse011654 1 38 1 1.1004 bmse011654 1 39 1 1.0930 bmse011654 1 40 1 3.0145 bmse011654 1 41 1 3.0099 bmse011654 1 42 1 2.9925 bmse011654 1 43 1 2.9881 bmse011654 1 44 1 2.9707 bmse011654 1 45 1 2.9663 bmse011654 1 46 1 7.3235 bmse011654 1 47 1 7.3347 bmse011654 1 48 1 0.7773 bmse011654 1 49 1 1.8248 bmse011654 1 50 1 1.8207 bmse011654 1 51 1 1.8167 bmse011654 1 52 1 1.8030 bmse011654 1 53 1 1.7991 bmse011654 1 54 1 1.7951 bmse011654 1 55 1 3.6628 bmse011654 1 56 1 3.6597 bmse011654 1 57 1 3.6566 bmse011654 1 58 1 3.6406 bmse011654 1 59 1 3.6373 bmse011654 1 60 1 3.6342 bmse011654 1 61 1 2.5961 bmse011654 1 62 1 2.5998 bmse011654 1 63 1 2.6027 bmse011654 1 64 1 2.6056 bmse011654 1 65 1 2.6093 bmse011654 1 66 1 1.6141 bmse011654 1 67 1 1.6099 bmse011654 1 68 1 1.5919 bmse011654 1 69 1 1.5877 bmse011654 1 stop_ save_