######################### # 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 bmse011361 _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 bmse011361 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 bmse011361 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011361 1 2 bmse011361 1 3 bmse011361 1 4 bmse011361 1 5 bmse011361 1 6 bmse011361 1 7 bmse011361 1 8 bmse011361 1 9 bmse011361 1 10 bmse011361 1 11 bmse011361 1 12 bmse011361 1 13 bmse011361 1 14 bmse011361 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 3.1247 q_2H bmse011361 1 2 1 1.2103 t_1H bmse011361 1 3 1 1.1049 t_3H bmse011361 1 4 1 2.6031 DMSO bmse011361 1 5 1 1.3395 m_2H bmse011361 1 6 1 1.7743 m_4H bmse011361 1 7 1 2.7168 Imp2 bmse011361 1 8 1 4.6500 SUP bmse011361 1 9 1 0.9922 t_2H_Q1 bmse011361 1 10 1 1.4625 m_2H bmse011361 1 11 1 2.7905 s_4H bmse011361 1 12 1 2.4824 Imp1 bmse011361 1 13 1 3.0351 m_4H bmse011361 1 14 1 1.9993 dd_2H bmse011361 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 6.4556 bmse011361 1 2 2 1 3.3562 bmse011361 1 3 3 1 7.5377 bmse011361 1 4 4 1 1.9807 bmse011361 1 5 5 1 4.5446 bmse011361 1 6 6 1 5.2426 bmse011361 1 7 7 1 0.0000 bmse011361 1 8 8 1 0.0000 bmse011361 1 9 9 1 7.2626 bmse011361 1 10 10 1 5.7849 bmse011361 1 11 11 1 0.0000 bmse011361 1 12 12 1 0.0000 bmse011361 1 13 13 1 4.8784 bmse011361 1 14 14 1 3.5213 bmse011361 1 15 14 1 1.5406 bmse011361 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011361 1 2 bmse011361 1 3 bmse011361 1 4 bmse011361 1 5 bmse011361 1 6 bmse011361 1 7 bmse011361 1 8 bmse011361 1 9 bmse011361 1 10 bmse011361 1 11 bmse011361 1 12 bmse011361 1 13 bmse011361 1 14 bmse011361 1 15 bmse011361 1 16 bmse011361 1 17 bmse011361 1 18 bmse011361 1 19 bmse011361 1 20 bmse011361 1 21 bmse011361 1 22 bmse011361 1 23 bmse011361 1 24 bmse011361 1 25 bmse011361 1 26 bmse011361 1 27 bmse011361 1 28 bmse011361 1 29 bmse011361 1 30 bmse011361 1 31 bmse011361 1 32 bmse011361 1 33 bmse011361 1 34 bmse011361 1 35 bmse011361 1 36 bmse011361 1 37 bmse011361 1 38 bmse011361 1 39 bmse011361 1 40 bmse011361 1 41 bmse011361 1 42 bmse011361 1 43 bmse011361 1 44 bmse011361 1 45 bmse011361 1 46 bmse011361 1 47 bmse011361 1 48 bmse011361 1 49 bmse011361 1 50 bmse011361 1 51 bmse011361 1 52 bmse011361 1 53 bmse011361 1 54 bmse011361 1 55 bmse011361 1 56 bmse011361 1 57 bmse011361 1 58 bmse011361 1 59 bmse011361 1 60 bmse011361 1 61 bmse011361 1 62 bmse011361 1 63 bmse011361 1 64 bmse011361 1 65 bmse011361 1 66 bmse011361 1 67 bmse011361 1 68 bmse011361 1 69 bmse011361 1 70 bmse011361 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 3.1086 bmse011361 1 2 1 3.1197 bmse011361 1 3 1 3.1302 bmse011361 1 4 1 3.1408 bmse011361 1 5 1 1.2047 bmse011361 1 6 1 1.2102 bmse011361 1 7 1 1.2159 bmse011361 1 8 1 1.0923 bmse011361 1 9 1 1.1048 bmse011361 1 10 1 1.1174 bmse011361 1 11 1 2.5965 bmse011361 1 12 1 2.6001 bmse011361 1 13 1 2.6031 bmse011361 1 14 1 2.6060 bmse011361 1 15 1 2.6097 bmse011361 1 16 1 1.3774 bmse011361 1 17 1 1.3710 bmse011361 1 18 1 1.3653 bmse011361 1 19 1 1.3554 bmse011361 1 20 1 1.3497 bmse011361 1 21 1 1.3341 bmse011361 1 22 1 1.3288 bmse011361 1 23 1 1.3239 bmse011361 1 24 1 1.3134 bmse011361 1 25 1 1.3079 bmse011361 1 26 1 1.3017 bmse011361 1 27 1 1.8354 bmse011361 1 28 1 1.8306 bmse011361 1 29 1 1.8242 bmse011361 1 30 1 1.8101 bmse011361 1 31 1 1.7976 bmse011361 1 32 1 1.7865 bmse011361 1 33 1 1.7533 bmse011361 1 34 1 1.7487 bmse011361 1 35 1 1.7417 bmse011361 1 36 1 1.7316 bmse011361 1 37 1 1.7256 bmse011361 1 38 1 1.7217 bmse011361 1 39 1 1.7197 bmse011361 1 40 1 1.7149 bmse011361 1 41 1 1.7131 bmse011361 1 42 1 2.7168 bmse011361 1 43 1 4.6500 bmse011361 1 44 1 0.9801 bmse011361 1 45 1 0.9922 bmse011361 1 46 1 1.0043 bmse011361 1 47 1 1.4962 bmse011361 1 48 1 1.4740 bmse011361 1 49 1 1.4698 bmse011361 1 50 1 1.4630 bmse011361 1 51 1 1.4550 bmse011361 1 52 1 1.4489 bmse011361 1 53 1 1.4342 bmse011361 1 54 1 1.4287 bmse011361 1 55 1 2.7905 bmse011361 1 56 1 2.4824 bmse011361 1 57 1 3.0717 bmse011361 1 58 1 3.0622 bmse011361 1 59 1 3.0587 bmse011361 1 60 1 3.0543 bmse011361 1 61 1 3.0537 bmse011361 1 62 1 3.0453 bmse011361 1 63 1 3.0372 bmse011361 1 64 1 3.0239 bmse011361 1 65 1 3.0178 bmse011361 1 66 1 2.9986 bmse011361 1 67 1 2.0035 bmse011361 1 68 1 2.0008 bmse011361 1 69 1 1.9975 bmse011361 1 70 1 1.9951 bmse011361 1 stop_ save_