######################### # 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 bmse011555 _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 bmse011555 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 bmse011555 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011555 1 2 bmse011555 1 4 bmse011555 1 5 bmse011555 1 6 bmse011555 1 9 bmse011555 1 10 bmse011555 1 11 bmse011555 1 12 bmse011555 1 15 bmse011555 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 3.2246 7_m bmse011555 1 2 1 3.5209 4_dd_Q2 bmse011555 1 3 1 4.6500 SUP bmse011555 1 4 1 1.9829 6_m bmse011555 1 5 1 3.4447 8_ddd bmse011555 1 6 1 3.9543 3_m bmse011555 1 7 1 7.3818 9,10,11,12,1 bmse011555 1 8 1 3.7349 8_quint_Q3 bmse011555 1 9 1 2.3491 6_ddd_Q1 bmse011555 1 10 1 2.6028 DMSO bmse011555 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 94.0933 bmse011555 1 2 2 1 12.5995 bmse011555 1 3 2 1 7.4277 bmse011555 1 4 3 1 0.0000 bmse011555 1 5 4 1 7.4167 bmse011555 1 6 5 1 11.7742 bmse011555 1 7 5 1 8.1429 bmse011555 1 8 5 1 5.6670 bmse011555 1 9 6 1 12.3244 bmse011555 1 10 7 1 104.0195 bmse011555 1 11 8 1 6.7124 bmse011555 1 12 9 1 21.4027 bmse011555 1 13 9 1 7.7578 bmse011555 1 14 9 1 5.8321 bmse011555 1 15 10 1 1.9532 bmse011555 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011555 1 2 bmse011555 1 3 bmse011555 1 4 bmse011555 1 5 bmse011555 1 6 bmse011555 1 7 bmse011555 1 8 bmse011555 1 9 bmse011555 1 10 bmse011555 1 11 bmse011555 1 12 bmse011555 1 13 bmse011555 1 14 bmse011555 1 15 bmse011555 1 16 bmse011555 1 17 bmse011555 1 18 bmse011555 1 19 bmse011555 1 20 bmse011555 1 21 bmse011555 1 22 bmse011555 1 23 bmse011555 1 24 bmse011555 1 25 bmse011555 1 26 bmse011555 1 27 bmse011555 1 28 bmse011555 1 29 bmse011555 1 30 bmse011555 1 31 bmse011555 1 32 bmse011555 1 33 bmse011555 1 34 bmse011555 1 35 bmse011555 1 36 bmse011555 1 37 bmse011555 1 38 bmse011555 1 39 bmse011555 1 40 bmse011555 1 41 bmse011555 1 42 bmse011555 1 43 bmse011555 1 44 bmse011555 1 45 bmse011555 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 3.3030 bmse011555 1 2 1 3.1463 bmse011555 1 3 1 3.5376 bmse011555 1 4 1 3.5251 bmse011555 1 5 1 3.5165 bmse011555 1 6 1 3.5042 bmse011555 1 7 1 4.6500 bmse011555 1 8 1 2.0138 bmse011555 1 9 1 2.0002 bmse011555 1 10 1 1.9890 bmse011555 1 11 1 1.9766 bmse011555 1 12 1 1.9654 bmse011555 1 13 1 1.9520 bmse011555 1 14 1 3.4661 bmse011555 1 15 1 3.4566 bmse011555 1 16 1 3.4525 bmse011555 1 17 1 3.4432 bmse011555 1 18 1 3.4465 bmse011555 1 19 1 3.4371 bmse011555 1 20 1 3.4329 bmse011555 1 21 1 3.4234 bmse011555 1 22 1 3.9851 bmse011555 1 23 1 3.9637 bmse011555 1 24 1 3.9455 bmse011555 1 25 1 3.9235 bmse011555 1 26 1 7.4684 bmse011555 1 27 1 7.2951 bmse011555 1 28 1 3.7125 bmse011555 1 29 1 3.7230 bmse011555 1 30 1 3.7347 bmse011555 1 31 1 3.7461 bmse011555 1 32 1 3.7572 bmse011555 1 33 1 2.3781 bmse011555 1 34 1 2.3688 bmse011555 1 35 1 2.3655 bmse011555 1 36 1 2.3554 bmse011555 1 37 1 2.3427 bmse011555 1 38 1 2.3326 bmse011555 1 39 1 2.3295 bmse011555 1 40 1 2.3202 bmse011555 1 41 1 2.5963 bmse011555 1 42 1 2.5998 bmse011555 1 43 1 2.6027 bmse011555 1 44 1 2.6058 bmse011555 1 45 1 2.6093 bmse011555 1 stop_ save_