######################### # 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 bmse011606 _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 bmse011606 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 bmse011606 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011606 1 2 bmse011606 1 3 bmse011606 1 4 bmse011606 1 5 bmse011606 1 6 bmse011606 1 7 bmse011606 1 8 bmse011606 1 9 bmse011606 1 10 bmse011606 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 2.6029 DMSO bmse011606 1 2 1 4.6500 SUP bmse011606 1 3 1 1.6926 9_m bmse011606 1 4 1 1.8817 10_m bmse011606 1 5 1 3.5672 4_m_Q3 bmse011606 1 6 1 3.0026 5_m_Q1 bmse011606 1 7 1 3.3077 2,4,6_m bmse011606 1 8 1 1.2692 7,8_m bmse011606 1 9 1 3.4335 5_m_Q2 bmse011606 1 10 1 1.4935 8,10_m bmse011606 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 1.8156 bmse011606 1 2 2 1 0.0000 bmse011606 1 3 3 1 4.3771 bmse011606 1 4 4 1 2.9298 bmse011606 1 5 5 1 3.8101 bmse011606 1 6 6 1 5.8981 bmse011606 1 7 7 1 103.3074 bmse011606 1 8 8 1 42.7041 bmse011606 1 9 9 1 5.8981 bmse011606 1 10 10 1 140.3350 bmse011606 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011606 1 2 bmse011606 1 3 bmse011606 1 4 bmse011606 1 5 bmse011606 1 6 bmse011606 1 7 bmse011606 1 8 bmse011606 1 9 bmse011606 1 10 bmse011606 1 11 bmse011606 1 12 bmse011606 1 13 bmse011606 1 14 bmse011606 1 15 bmse011606 1 16 bmse011606 1 17 bmse011606 1 18 bmse011606 1 19 bmse011606 1 20 bmse011606 1 21 bmse011606 1 22 bmse011606 1 23 bmse011606 1 24 bmse011606 1 25 bmse011606 1 26 bmse011606 1 27 bmse011606 1 28 bmse011606 1 29 bmse011606 1 30 bmse011606 1 31 bmse011606 1 32 bmse011606 1 33 bmse011606 1 34 bmse011606 1 35 bmse011606 1 36 bmse011606 1 37 bmse011606 1 38 bmse011606 1 39 bmse011606 1 40 bmse011606 1 41 bmse011606 1 42 bmse011606 1 43 bmse011606 1 44 bmse011606 1 45 bmse011606 1 46 bmse011606 1 47 bmse011606 1 48 bmse011606 1 49 bmse011606 1 50 bmse011606 1 51 bmse011606 1 52 bmse011606 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 2.5968 bmse011606 1 2 1 2.5998 bmse011606 1 3 1 2.6029 bmse011606 1 4 1 2.6058 bmse011606 1 5 1 2.6089 bmse011606 1 6 1 4.6500 bmse011606 1 7 1 1.7254 bmse011606 1 8 1 1.7188 bmse011606 1 9 1 1.7091 bmse011606 1 10 1 1.7005 bmse011606 1 11 1 1.6904 bmse011606 1 12 1 1.6838 bmse011606 1 13 1 1.6774 bmse011606 1 14 1 1.6700 bmse011606 1 15 1 1.6665 bmse011606 1 16 1 1.6598 bmse011606 1 17 1 1.9012 bmse011606 1 18 1 1.8983 bmse011606 1 19 1 1.8948 bmse011606 1 20 1 1.8858 bmse011606 1 21 1 1.8768 bmse011606 1 22 1 1.8741 bmse011606 1 23 1 1.8704 bmse011606 1 24 1 1.8644 bmse011606 1 25 1 1.8622 bmse011606 1 26 1 3.5926 bmse011606 1 27 1 3.5858 bmse011606 1 28 1 3.5792 bmse011606 1 29 1 3.5741 bmse011606 1 30 1 3.5700 bmse011606 1 31 1 3.5622 bmse011606 1 32 1 3.5596 bmse011606 1 33 1 3.5502 bmse011606 1 34 1 3.5418 bmse011606 1 35 1 3.0272 bmse011606 1 36 1 3.0209 bmse011606 1 37 1 3.0052 bmse011606 1 38 1 2.9888 bmse011606 1 39 1 2.9835 bmse011606 1 40 1 2.9780 bmse011606 1 41 1 3.3937 bmse011606 1 42 1 3.2216 bmse011606 1 43 1 1.3048 bmse011606 1 44 1 1.2337 bmse011606 1 45 1 3.4580 bmse011606 1 46 1 3.4443 bmse011606 1 47 1 3.4369 bmse011606 1 48 1 3.4294 bmse011606 1 49 1 3.4182 bmse011606 1 50 1 3.4089 bmse011606 1 51 1 1.6104 bmse011606 1 52 1 1.3766 bmse011606 1 stop_ save_