######################### # 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 bmse011063 _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 bmse011063 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 bmse011063 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011063 1 2 bmse011063 1 3 bmse011063 1 4 bmse011063 1 5 bmse011063 1 6 bmse011063 1 7 bmse011063 1 8 bmse011063 1 9 bmse011063 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 1.5096 12,13_m bmse011063 1 2 1 3.6340 6_m_Q3 bmse011063 1 3 1 2.7341 8_m bmse011063 1 4 1 3.1301 8_m_Q2 bmse011063 1 5 1 3.8828 6,9_m bmse011063 1 6 1 1.8299 12,13_m_Q1 bmse011063 1 7 1 2.5295 7_m bmse011063 1 8 1 2.6030 DMSO bmse011063 1 9 1 4.6500 SUP bmse011063 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 1 119.5273 bmse011063 1 2 2 1 17.2542 bmse011063 1 3 3 1 5.7881 bmse011063 1 4 4 1 5.8761 bmse011063 1 5 5 1 76.5410 bmse011063 1 6 6 1 105.6850 bmse011063 1 7 7 1 3.9202 bmse011063 1 8 8 1 1.9532 bmse011063 1 9 9 1 0.0000 bmse011063 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011063 1 2 bmse011063 1 3 bmse011063 1 4 bmse011063 1 5 bmse011063 1 6 bmse011063 1 7 bmse011063 1 8 bmse011063 1 9 bmse011063 1 10 bmse011063 1 11 bmse011063 1 12 bmse011063 1 13 bmse011063 1 14 bmse011063 1 15 bmse011063 1 16 bmse011063 1 17 bmse011063 1 18 bmse011063 1 19 bmse011063 1 20 bmse011063 1 21 bmse011063 1 22 bmse011063 1 23 bmse011063 1 24 bmse011063 1 25 bmse011063 1 26 bmse011063 1 27 bmse011063 1 28 bmse011063 1 29 bmse011063 1 30 bmse011063 1 31 bmse011063 1 32 bmse011063 1 33 bmse011063 1 34 bmse011063 1 35 bmse011063 1 36 bmse011063 1 37 bmse011063 1 38 bmse011063 1 39 bmse011063 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 1.6092 bmse011063 1 2 1 1.4100 bmse011063 1 3 1 3.7059 bmse011063 1 4 1 3.7032 bmse011063 1 5 1 3.7004 bmse011063 1 6 1 3.6801 bmse011063 1 7 1 3.5739 bmse011063 1 8 1 3.5622 bmse011063 1 9 1 2.7582 bmse011063 1 10 1 2.7534 bmse011063 1 11 1 2.7364 bmse011063 1 12 1 2.7320 bmse011063 1 13 1 2.7147 bmse011063 1 14 1 2.7100 bmse011063 1 15 1 3.1546 bmse011063 1 16 1 3.1500 bmse011063 1 17 1 3.1311 bmse011063 1 18 1 3.1289 bmse011063 1 19 1 3.1104 bmse011063 1 20 1 3.1056 bmse011063 1 21 1 3.9466 bmse011063 1 22 1 3.8191 bmse011063 1 23 1 1.9179 bmse011063 1 24 1 1.7419 bmse011063 1 25 1 2.5556 bmse011063 1 26 1 2.5494 bmse011063 1 27 1 2.5429 bmse011063 1 28 1 2.5356 bmse011063 1 29 1 2.5296 bmse011063 1 30 1 2.5233 bmse011063 1 31 1 2.5160 bmse011063 1 32 1 2.5098 bmse011063 1 33 1 2.5033 bmse011063 1 34 1 2.5965 bmse011063 1 35 1 2.6001 bmse011063 1 36 1 2.6031 bmse011063 1 37 1 2.6058 bmse011063 1 38 1 2.6095 bmse011063 1 39 1 4.6500 bmse011063 1 stop_ save_