######################### # 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 bmse011370 _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 bmse011370 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 bmse011370 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011370 1 2 bmse011370 1 3 bmse011370 1 4 bmse011370 1 5 bmse011370 1 6 bmse011370 1 7 bmse011370 1 8 bmse011370 1 9 bmse011370 1 10 bmse011370 1 11 bmse011370 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 bmse011370 1 2 1 3.4616 12_m_Q2 bmse011370 1 3 1 6.1286 3_d bmse011370 1 4 1 3.5971 14_m_Q3 bmse011370 1 5 1 2.6032 DMSO bmse011370 1 6 1 3.5430 14_m_Q4 bmse011370 1 7 1 1.5175 15_m_Q1 bmse011370 1 8 1 7.2027 8,9_m bmse011370 1 9 1 7.2808 10,11_m bmse011370 1 10 1 1.3224 15_m bmse011370 1 11 1 0.8437 16_dd bmse011370 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 bmse011370 1 2 2 1 5.9054 bmse011370 1 3 3 1 8.9132 bmse011370 1 4 4 1 3.7536 bmse011370 1 5 5 1 1.8432 bmse011370 1 6 6 1 5.3186 bmse011370 1 7 7 1 3.7613 bmse011370 1 8 8 1 2.9344 bmse011370 1 9 9 1 2.9344 bmse011370 1 10 10 1 4.5336 bmse011370 1 11 11 1 7.4827 bmse011370 1 12 11 1 7.4827 bmse011370 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011370 1 2 bmse011370 1 3 bmse011370 1 4 bmse011370 1 5 bmse011370 1 6 bmse011370 1 7 bmse011370 1 8 bmse011370 1 9 bmse011370 1 10 bmse011370 1 11 bmse011370 1 12 bmse011370 1 13 bmse011370 1 14 bmse011370 1 15 bmse011370 1 16 bmse011370 1 17 bmse011370 1 18 bmse011370 1 19 bmse011370 1 20 bmse011370 1 21 bmse011370 1 22 bmse011370 1 23 bmse011370 1 24 bmse011370 1 25 bmse011370 1 26 bmse011370 1 27 bmse011370 1 28 bmse011370 1 29 bmse011370 1 30 bmse011370 1 31 bmse011370 1 32 bmse011370 1 33 bmse011370 1 34 bmse011370 1 35 bmse011370 1 36 bmse011370 1 37 bmse011370 1 38 bmse011370 1 39 bmse011370 1 40 bmse011370 1 41 bmse011370 1 42 bmse011370 1 43 bmse011370 1 44 bmse011370 1 45 bmse011370 1 46 bmse011370 1 47 bmse011370 1 48 bmse011370 1 49 bmse011370 1 50 bmse011370 1 51 bmse011370 1 52 bmse011370 1 53 bmse011370 1 54 bmse011370 1 55 bmse011370 1 56 bmse011370 1 57 bmse011370 1 58 bmse011370 1 59 bmse011370 1 60 bmse011370 1 61 bmse011370 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 bmse011370 1 2 1 3.4764 bmse011370 1 3 1 3.4657 bmse011370 1 4 1 3.4573 bmse011370 1 5 1 3.4468 bmse011370 1 6 1 6.1211 bmse011370 1 7 1 6.1360 bmse011370 1 8 1 3.6252 bmse011370 1 9 1 3.6166 bmse011370 1 10 1 3.6093 bmse011370 1 11 1 3.6069 bmse011370 1 12 1 3.6018 bmse011370 1 13 1 3.6001 bmse011370 1 14 1 3.5921 bmse011370 1 15 1 3.5842 bmse011370 1 16 1 3.5774 bmse011370 1 17 1 3.5689 bmse011370 1 18 1 2.5970 bmse011370 1 19 1 2.6000 bmse011370 1 20 1 2.6031 bmse011370 1 21 1 2.6062 bmse011370 1 22 1 2.6093 bmse011370 1 23 1 3.5563 bmse011370 1 24 1 3.5486 bmse011370 1 25 1 3.5374 bmse011370 1 26 1 3.5297 bmse011370 1 27 1 1.5519 bmse011370 1 28 1 1.5431 bmse011370 1 29 1 1.5395 bmse011370 1 30 1 1.5307 bmse011370 1 31 1 1.5274 bmse011370 1 32 1 1.5166 bmse011370 1 33 1 1.5079 bmse011370 1 34 1 1.5041 bmse011370 1 35 1 1.4957 bmse011370 1 36 1 1.4916 bmse011370 1 37 1 1.4913 bmse011370 1 38 1 1.4830 bmse011370 1 39 1 7.2100 bmse011370 1 40 1 7.2067 bmse011370 1 41 1 7.1985 bmse011370 1 42 1 7.1954 bmse011370 1 43 1 7.2881 bmse011370 1 44 1 7.2848 bmse011370 1 45 1 7.2770 bmse011370 1 46 1 7.2735 bmse011370 1 47 1 1.3602 bmse011370 1 48 1 1.3473 bmse011370 1 49 1 1.3448 bmse011370 1 50 1 1.3347 bmse011370 1 51 1 1.3328 bmse011370 1 52 1 1.3242 bmse011370 1 53 1 1.3202 bmse011370 1 54 1 1.3119 bmse011370 1 55 1 1.3096 bmse011370 1 56 1 1.2971 bmse011370 1 57 1 1.2846 bmse011370 1 58 1 0.8561 bmse011370 1 59 1 0.8437 bmse011370 1 60 1 0.8437 bmse011370 1 61 1 0.8312 bmse011370 1 stop_ save_