######################### # 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 bmse011250 _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 bmse011250 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 bmse011250 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011250 1 2 bmse011250 1 3 bmse011250 1 6 bmse011250 1 7 bmse011250 1 8 bmse011250 1 9 bmse011250 1 11 bmse011250 1 12 bmse011250 1 13 bmse011250 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 bmse011250 1 2 1 2.6030 DMSO bmse011250 1 3 1 7.3549 10_ddd bmse011250 1 4 1 3.5294 13,14_m bmse011250 1 5 1 1.4422 11,12_m_Q1 bmse011250 1 6 1 1.9142 11,12_m bmse011250 1 7 1 6.5983 8_dd_Q3 bmse011250 1 8 1 3.7035 6_m_Q2 bmse011250 1 9 1 3.9278 13,14_m bmse011250 1 10 1 7.7958 3,5_m bmse011250 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 bmse011250 1 2 2 1 1.8432 bmse011250 1 3 3 1 8.7206 bmse011250 1 4 3 1 8.6656 bmse011250 1 5 3 1 3.0536 bmse011250 1 6 4 1 7.6556 bmse011250 1 7 5 1 3.6713 bmse011250 1 8 6 1 4.2640 bmse011250 1 9 7 1 9.2983 bmse011250 1 10 7 1 3.7964 bmse011250 1 11 8 1 3.3012 bmse011250 1 12 9 1 3.7413 bmse011250 1 13 10 1 64.3411 bmse011250 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011250 1 2 bmse011250 1 3 bmse011250 1 4 bmse011250 1 5 bmse011250 1 6 bmse011250 1 7 bmse011250 1 8 bmse011250 1 9 bmse011250 1 10 bmse011250 1 11 bmse011250 1 12 bmse011250 1 13 bmse011250 1 14 bmse011250 1 15 bmse011250 1 16 bmse011250 1 17 bmse011250 1 18 bmse011250 1 19 bmse011250 1 20 bmse011250 1 21 bmse011250 1 22 bmse011250 1 23 bmse011250 1 24 bmse011250 1 25 bmse011250 1 26 bmse011250 1 27 bmse011250 1 28 bmse011250 1 29 bmse011250 1 30 bmse011250 1 31 bmse011250 1 32 bmse011250 1 33 bmse011250 1 34 bmse011250 1 35 bmse011250 1 36 bmse011250 1 37 bmse011250 1 38 bmse011250 1 39 bmse011250 1 40 bmse011250 1 41 bmse011250 1 42 bmse011250 1 43 bmse011250 1 44 bmse011250 1 45 bmse011250 1 46 bmse011250 1 47 bmse011250 1 48 bmse011250 1 49 bmse011250 1 50 bmse011250 1 51 bmse011250 1 52 bmse011250 1 53 bmse011250 1 54 bmse011250 1 55 bmse011250 1 56 bmse011250 1 57 bmse011250 1 58 bmse011250 1 59 bmse011250 1 60 bmse011250 1 61 bmse011250 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 bmse011250 1 2 1 2.5968 bmse011250 1 3 1 2.6000 bmse011250 1 4 1 2.6031 bmse011250 1 5 1 2.6062 bmse011250 1 6 1 2.6091 bmse011250 1 7 1 7.3719 bmse011250 1 8 1 7.3668 bmse011250 1 9 1 7.3580 bmse011250 1 10 1 7.3529 bmse011250 1 11 1 7.3567 bmse011250 1 12 1 7.3518 bmse011250 1 13 1 7.3430 bmse011250 1 14 1 7.3378 bmse011250 1 15 1 3.5741 bmse011250 1 16 1 3.5623 bmse011250 1 17 1 3.5277 bmse011250 1 18 1 3.5242 bmse011250 1 19 1 3.5081 bmse011250 1 20 1 3.5046 bmse011250 1 21 1 3.4885 bmse011250 1 22 1 3.4848 bmse011250 1 23 1 1.4759 bmse011250 1 24 1 1.4685 bmse011250 1 25 1 1.4570 bmse011250 1 26 1 1.4531 bmse011250 1 27 1 1.4493 bmse011250 1 28 1 1.4456 bmse011250 1 29 1 1.4386 bmse011250 1 30 1 1.4350 bmse011250 1 31 1 1.4311 bmse011250 1 32 1 1.4275 bmse011250 1 33 1 1.4159 bmse011250 1 34 1 1.4086 bmse011250 1 35 1 1.9284 bmse011250 1 36 1 1.9251 bmse011250 1 37 1 1.9221 bmse011250 1 38 1 1.9031 bmse011250 1 39 1 1.8999 bmse011250 1 40 1 6.6092 bmse011250 1 41 1 6.6028 bmse011250 1 42 1 6.5936 bmse011250 1 43 1 6.5874 bmse011250 1 44 1 3.7283 bmse011250 1 45 1 3.7213 bmse011250 1 46 1 3.7143 bmse011250 1 47 1 3.7103 bmse011250 1 48 1 3.7035 bmse011250 1 49 1 3.6967 bmse011250 1 50 1 3.6929 bmse011250 1 51 1 3.6918 bmse011250 1 52 1 3.6857 bmse011250 1 53 1 3.6788 bmse011250 1 54 1 3.9433 bmse011250 1 55 1 3.9377 bmse011250 1 56 1 3.9323 bmse011250 1 57 1 3.9234 bmse011250 1 58 1 3.9180 bmse011250 1 59 1 3.9122 bmse011250 1 60 1 7.8494 bmse011250 1 61 1 7.7422 bmse011250 1 stop_ save_