######################### # 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 bmse011030 _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 bmse011030 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 bmse011030 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011030 1 2 bmse011030 1 3 bmse011030 1 4 bmse011030 1 6 bmse011030 1 7 bmse011030 1 8 bmse011030 1 9 bmse011030 1 10 bmse011030 1 11 bmse011030 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 3.3292 10_m bmse011030 1 2 1 4.6500 SUP bmse011030 1 3 1 6.7992 3_s bmse011030 1 4 1 3.4908 12_dd_Q3 bmse011030 1 5 1 3.8086 13_m bmse011030 1 6 1 3.7040 12_m bmse011030 1 7 1 1.6235 15_m bmse011030 1 8 1 2.0247 11_m_Q1 bmse011030 1 9 1 2.2687 14_s_Q2 bmse011030 1 10 1 2.5807 DMSO_Imp1_15 bmse011030 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 6.7124 bmse011030 1 2 2 1 0.0000 bmse011030 1 3 3 1 0.0000 bmse011030 1 4 4 1 8.7481 bmse011030 1 5 4 1 5.7771 bmse011030 1 6 5 1 58.6976 bmse011030 1 7 6 1 7.7394 bmse011030 1 8 7 1 6.8004 bmse011030 1 9 8 1 3.8025 bmse011030 1 10 9 1 0.0000 bmse011030 1 11 10 1 143.2534 bmse011030 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011030 1 2 bmse011030 1 3 bmse011030 1 4 bmse011030 1 5 bmse011030 1 6 bmse011030 1 7 bmse011030 1 8 bmse011030 1 9 bmse011030 1 10 bmse011030 1 11 bmse011030 1 12 bmse011030 1 13 bmse011030 1 14 bmse011030 1 15 bmse011030 1 16 bmse011030 1 17 bmse011030 1 18 bmse011030 1 19 bmse011030 1 20 bmse011030 1 21 bmse011030 1 22 bmse011030 1 23 bmse011030 1 24 bmse011030 1 25 bmse011030 1 26 bmse011030 1 27 bmse011030 1 28 bmse011030 1 29 bmse011030 1 30 bmse011030 1 31 bmse011030 1 32 bmse011030 1 33 bmse011030 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 3.3348 bmse011030 1 2 1 3.3236 bmse011030 1 3 1 4.6500 bmse011030 1 4 1 6.7992 bmse011030 1 5 1 3.5029 bmse011030 1 6 1 3.4934 bmse011030 1 7 1 3.4885 bmse011030 1 8 1 3.4787 bmse011030 1 9 1 3.8575 bmse011030 1 10 1 3.7597 bmse011030 1 11 1 3.7233 bmse011030 1 12 1 3.7107 bmse011030 1 13 1 3.6980 bmse011030 1 14 1 3.6846 bmse011030 1 15 1 1.6519 bmse011030 1 16 1 1.6401 bmse011030 1 17 1 1.6299 bmse011030 1 18 1 1.6174 bmse011030 1 19 1 1.6068 bmse011030 1 20 1 1.5952 bmse011030 1 21 1 2.0532 bmse011030 1 22 1 2.0437 bmse011030 1 23 1 2.0400 bmse011030 1 24 1 2.0310 bmse011030 1 25 1 2.0270 bmse011030 1 26 1 2.0226 bmse011030 1 27 1 2.0186 bmse011030 1 28 1 2.0096 bmse011030 1 29 1 2.0059 bmse011030 1 30 1 1.9962 bmse011030 1 31 1 2.2687 bmse011030 1 32 1 2.7000 bmse011030 1 33 1 2.4613 bmse011030 1 stop_ save_