######################### # 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 bmse011319 _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 bmse011319 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 bmse011319 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011319 1 2 bmse011319 1 3 bmse011319 1 4 bmse011319 1 6 bmse011319 1 7 bmse011319 1 8 bmse011319 1 9 bmse011319 1 10 bmse011319 1 11 bmse011319 1 12 bmse011319 1 13 bmse011319 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 4.6500 SUP bmse011319 1 2 1 1.9109 m_3H bmse011319 1 3 1 8.7011 d_1H bmse011319 1 4 1 8.6405 dd_1H bmse011319 1 5 1 5.4567 s_1H bmse011319 1 6 1 1.8369 m_3H bmse011319 1 7 1 2.6031 DMSO bmse011319 1 8 1 3.4662 q_3H_Q1 bmse011319 1 9 1 1.5101 m_3H bmse011319 1 10 1 1.4175 m_3H bmse011319 1 11 1 2.2026 t_3H bmse011319 1 12 1 9.0490 d_1H bmse011319 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 bmse011319 1 2 2 1 3.4387 bmse011319 1 3 3 1 2.5309 bmse011319 1 4 4 1 2.4209 bmse011319 1 5 4 1 1.5406 bmse011319 1 6 5 1 0.0000 bmse011319 1 7 6 1 1.8707 bmse011319 1 8 7 1 1.8707 bmse011319 1 9 8 1 6.5657 bmse011319 1 10 9 1 2.9986 bmse011319 1 11 10 1 2.9848 bmse011319 1 12 11 1 6.7674 bmse011319 1 13 12 1 1.3205 bmse011319 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011319 1 2 bmse011319 1 3 bmse011319 1 4 bmse011319 1 5 bmse011319 1 6 bmse011319 1 7 bmse011319 1 8 bmse011319 1 9 bmse011319 1 10 bmse011319 1 11 bmse011319 1 12 bmse011319 1 13 bmse011319 1 14 bmse011319 1 15 bmse011319 1 16 bmse011319 1 17 bmse011319 1 18 bmse011319 1 19 bmse011319 1 20 bmse011319 1 21 bmse011319 1 22 bmse011319 1 23 bmse011319 1 24 bmse011319 1 25 bmse011319 1 26 bmse011319 1 27 bmse011319 1 28 bmse011319 1 29 bmse011319 1 30 bmse011319 1 31 bmse011319 1 32 bmse011319 1 33 bmse011319 1 34 bmse011319 1 35 bmse011319 1 36 bmse011319 1 37 bmse011319 1 38 bmse011319 1 39 bmse011319 1 40 bmse011319 1 41 bmse011319 1 42 bmse011319 1 43 bmse011319 1 44 bmse011319 1 45 bmse011319 1 46 bmse011319 1 47 bmse011319 1 48 bmse011319 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 4.6500 bmse011319 1 2 1 1.9223 bmse011319 1 3 1 1.9196 bmse011319 1 4 1 1.9126 bmse011319 1 5 1 1.9097 bmse011319 1 6 1 1.8994 bmse011319 1 7 1 8.6990 bmse011319 1 8 1 8.7032 bmse011319 1 9 1 8.6438 bmse011319 1 10 1 8.6412 bmse011319 1 11 1 8.6398 bmse011319 1 12 1 8.6372 bmse011319 1 13 1 5.4567 bmse011319 1 14 1 1.8400 bmse011319 1 15 1 1.8376 bmse011319 1 16 1 1.8338 bmse011319 1 17 1 2.5968 bmse011319 1 18 1 2.6000 bmse011319 1 19 1 2.6031 bmse011319 1 20 1 2.6062 bmse011319 1 21 1 2.6093 bmse011319 1 22 1 3.4498 bmse011319 1 23 1 3.4608 bmse011319 1 24 1 3.4718 bmse011319 1 25 1 3.4826 bmse011319 1 26 1 1.5301 bmse011319 1 27 1 1.5246 bmse011319 1 28 1 1.5200 bmse011319 1 29 1 1.5147 bmse011319 1 30 1 1.5105 bmse011319 1 31 1 1.5048 bmse011319 1 32 1 1.5004 bmse011319 1 33 1 1.4946 bmse011319 1 34 1 1.4902 bmse011319 1 35 1 1.4374 bmse011319 1 36 1 1.4331 bmse011319 1 37 1 1.4271 bmse011319 1 38 1 1.4229 bmse011319 1 39 1 1.4172 bmse011319 1 40 1 1.4130 bmse011319 1 41 1 1.4077 bmse011319 1 42 1 1.4029 bmse011319 1 43 1 1.3976 bmse011319 1 44 1 2.1913 bmse011319 1 45 1 2.2025 bmse011319 1 46 1 2.2138 bmse011319 1 47 1 9.0479 bmse011319 1 48 1 9.0501 bmse011319 1 stop_ save_