######################### # 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 bmse011760 _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 bmse011760 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 bmse011760 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011760 1 2 bmse011760 1 3 bmse011760 1 4 bmse011760 1 5 bmse011760 1 6 bmse011760 1 7 bmse011760 1 9 bmse011760 1 10 bmse011760 1 12 bmse011760 1 13 bmse011760 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 3.3074 6,7_d bmse011760 1 2 1 4.6500 SUP bmse011760 1 3 1 0.9079 16_d bmse011760 1 4 1 6.8807 4_d bmse011760 1 5 1 7.1441 5_d bmse011760 1 6 1 1.7774 12,13_m bmse011760 1 7 1 6.7150 10_dd_Q3 bmse011760 1 8 1 2.6030 DMSO bmse011760 1 9 1 2.8075 6,7_dd bmse011760 1 10 1 1.3808 12,13_m_Q1 bmse011760 1 11 1 1.5535 15_m_Q2 bmse011760 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 11.7742 bmse011760 1 2 2 1 0.0000 bmse011760 1 3 3 1 6.6024 bmse011760 1 4 4 1 2.5309 bmse011760 1 5 5 1 8.9132 bmse011760 1 6 6 1 7.4277 bmse011760 1 7 7 1 8.6931 bmse011760 1 8 7 1 2.5309 bmse011760 1 9 8 1 1.9532 bmse011760 1 10 9 1 12.1043 bmse011760 1 11 9 1 12.1043 bmse011760 1 12 10 1 8.1649 bmse011760 1 13 11 1 4.2475 bmse011760 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011760 1 2 bmse011760 1 3 bmse011760 1 4 bmse011760 1 5 bmse011760 1 6 bmse011760 1 7 bmse011760 1 8 bmse011760 1 9 bmse011760 1 10 bmse011760 1 11 bmse011760 1 12 bmse011760 1 13 bmse011760 1 14 bmse011760 1 15 bmse011760 1 16 bmse011760 1 17 bmse011760 1 18 bmse011760 1 19 bmse011760 1 20 bmse011760 1 21 bmse011760 1 22 bmse011760 1 23 bmse011760 1 24 bmse011760 1 25 bmse011760 1 26 bmse011760 1 27 bmse011760 1 28 bmse011760 1 29 bmse011760 1 30 bmse011760 1 31 bmse011760 1 32 bmse011760 1 33 bmse011760 1 34 bmse011760 1 35 bmse011760 1 36 bmse011760 1 37 bmse011760 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 3.2976 bmse011760 1 2 1 3.3172 bmse011760 1 3 1 4.6500 bmse011760 1 4 1 0.9024 bmse011760 1 5 1 0.9134 bmse011760 1 6 1 6.8785 bmse011760 1 7 1 6.8828 bmse011760 1 8 1 7.1367 bmse011760 1 9 1 7.1515 bmse011760 1 10 1 1.7898 bmse011760 1 11 1 1.7657 bmse011760 1 12 1 1.7650 bmse011760 1 13 1 6.7244 bmse011760 1 14 1 6.7201 bmse011760 1 15 1 6.7099 bmse011760 1 16 1 6.7056 bmse011760 1 17 1 2.5965 bmse011760 1 18 1 2.6000 bmse011760 1 19 1 2.6031 bmse011760 1 20 1 2.6060 bmse011760 1 21 1 2.6095 bmse011760 1 22 1 2.8277 bmse011760 1 23 1 2.8077 bmse011760 1 24 1 2.8077 bmse011760 1 25 1 2.7873 bmse011760 1 26 1 1.4148 bmse011760 1 27 1 1.4093 bmse011760 1 28 1 1.3902 bmse011760 1 29 1 1.3708 bmse011760 1 30 1 1.3517 bmse011760 1 31 1 1.3468 bmse011760 1 32 1 1.5712 bmse011760 1 33 1 1.5600 bmse011760 1 34 1 1.5523 bmse011760 1 35 1 1.5431 bmse011760 1 36 1 1.5417 bmse011760 1 37 1 1.5358 bmse011760 1 stop_ save_