######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01 _Spectral_peak_list.Entry_ID bmse001119 _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.Details 'F1: 1H' loop_ _Spectral_dim.ID _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 H 1 'Full H' 16.03 ppm bmse001119 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 bmse001119 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001119 1 2 bmse001119 1 3 bmse001119 1 4 bmse001119 1 5 bmse001119 1 6 bmse001119 1 7 bmse001119 1 8 bmse001119 1 9 bmse001119 1 10 bmse001119 1 11 bmse001119 1 12 bmse001119 1 13 bmse001119 1 14 bmse001119 1 15 bmse001119 1 16 bmse001119 1 17 bmse001119 1 18 bmse001119 1 19 bmse001119 1 20 bmse001119 1 21 bmse001119 1 22 bmse001119 1 23 bmse001119 1 24 bmse001119 1 25 bmse001119 1 26 bmse001119 1 27 bmse001119 1 28 bmse001119 1 29 bmse001119 1 30 bmse001119 1 31 bmse001119 1 32 bmse001119 1 33 bmse001119 1 34 bmse001119 1 35 bmse001119 1 36 bmse001119 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 0.35 'relative height' bmse001119 1 2 0.72 'relative height' bmse001119 1 3 0.29 'relative height' bmse001119 1 4 0.26 'relative height' bmse001119 1 5 0.26 'relative height' bmse001119 1 6 0.26 'relative height' bmse001119 1 7 0.29 'relative height' bmse001119 1 8 0.44 'relative height' bmse001119 1 9 0.29 'relative height' bmse001119 1 10 0.30 'relative height' bmse001119 1 11 0.27 'relative height' bmse001119 1 12 0.23 'relative height' bmse001119 1 13 0.26 'relative height' bmse001119 1 14 0.30 'relative height' bmse001119 1 15 0.30 'relative height' bmse001119 1 16 0.33 'relative height' bmse001119 1 17 0.21 'relative height' bmse001119 1 18 0.16 'relative height' bmse001119 1 19 0.64 'relative height' bmse001119 1 20 8.48 'relative height' bmse001119 1 21 0.85 'relative height' bmse001119 1 22 0.66 'relative height' bmse001119 1 23 1.34 'relative height' bmse001119 1 24 1.34 'relative height' bmse001119 1 25 0.67 'relative height' bmse001119 1 26 1.27 'relative height' bmse001119 1 27 1.16 'relative height' bmse001119 1 28 0.49 'relative height' bmse001119 1 29 0.82 'relative height' bmse001119 1 30 4.36 'relative height' bmse001119 1 31 4.33 'relative height' bmse001119 1 32 6.28 'relative height' bmse001119 1 33 15.00 'relative height' bmse001119 1 34 1.63 'relative height' bmse001119 1 35 3.59 'relative height' bmse001119 1 36 1.66 'relative height' bmse001119 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 5.3551 bmse001119 1 2 1 5.3436 bmse001119 1 3 1 5.3288 bmse001119 1 4 1 5.2058 bmse001119 1 5 1 5.1969 bmse001119 1 6 1 4.4098 bmse001119 1 7 1 4.3859 bmse001119 1 8 1 4.3126 bmse001119 1 9 1 4.1448 bmse001119 1 10 1 4.1302 bmse001119 1 11 1 4.1207 bmse001119 1 12 1 4.1062 bmse001119 1 13 1 3.9678 bmse001119 1 14 1 3.9557 bmse001119 1 15 1 3.9421 bmse001119 1 16 1 3.9270 bmse001119 1 17 1 3.9140 bmse001119 1 18 1 3.9053 bmse001119 1 19 1 3.8095 bmse001119 1 20 1 3.3750 bmse001119 1 21 1 3.3417 bmse001119 1 22 1 2.3079 bmse001119 1 23 1 2.2916 bmse001119 1 24 1 2.2755 bmse001119 1 25 1 2.2589 bmse001119 1 26 1 2.0154 bmse001119 1 27 1 2.0033 bmse001119 1 28 1 1.9903 bmse001119 1 29 1 1.5743 bmse001119 1 30 1 1.2948 bmse001119 1 31 1 1.2893 bmse001119 1 32 1 1.2680 bmse001119 1 33 1 1.2544 bmse001119 1 34 1 0.8936 bmse001119 1 35 1 0.8802 bmse001119 1 36 1 0.8661 bmse001119 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_13C_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01 _Spectral_peak_list.Entry_ID bmse001119 _Spectral_peak_list.ID 3 _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 3 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _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 C 13 'Full C' 236.77 ppm bmse001119 3 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 bmse001119 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001119 3 2 bmse001119 3 3 bmse001119 3 4 bmse001119 3 5 bmse001119 3 6 bmse001119 3 7 bmse001119 3 8 bmse001119 3 9 bmse001119 3 10 bmse001119 3 11 bmse001119 3 12 bmse001119 3 13 bmse001119 3 14 bmse001119 3 15 bmse001119 3 16 bmse001119 3 17 bmse001119 3 18 bmse001119 3 19 bmse001119 3 20 bmse001119 3 21 bmse001119 3 22 bmse001119 3 23 bmse001119 3 24 bmse001119 3 25 bmse001119 3 26 bmse001119 3 27 bmse001119 3 28 bmse001119 3 29 bmse001119 3 30 bmse001119 3 31 bmse001119 3 32 bmse001119 3 33 bmse001119 3 34 bmse001119 3 35 bmse001119 3 36 bmse001119 3 37 bmse001119 3 38 bmse001119 3 39 bmse001119 3 40 bmse001119 3 41 bmse001119 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 0.55 'relative height' bmse001119 3 2 0.46 'relative height' bmse001119 3 3 0.75 'relative height' bmse001119 3 4 0.29 'relative height' bmse001119 3 5 1.02 'relative height' bmse001119 3 6 0.25 'relative height' bmse001119 3 7 0.23 'relative height' bmse001119 3 8 0.15 'relative height' bmse001119 3 9 0.14 'relative height' bmse001119 3 10 0.17 'relative height' bmse001119 3 11 0.16 'relative height' bmse001119 3 12 0.38 'relative height' bmse001119 3 13 0.19 'relative height' bmse001119 3 14 0.19 'relative height' bmse001119 3 15 1.00 'relative height' bmse001119 3 16 0.71 'relative height' bmse001119 3 17 0.66 'relative height' bmse001119 3 18 0.20 'relative height' bmse001119 3 19 1.85 'relative height' bmse001119 3 20 1.84 'relative height' bmse001119 3 21 2.03 'relative height' bmse001119 3 22 2.94 'relative height' bmse001119 3 23 1.29 'relative height' bmse001119 3 24 1.65 'relative height' bmse001119 3 25 0.84 'relative height' bmse001119 3 26 1.46 'relative height' bmse001119 3 27 1.72 'relative height' bmse001119 3 28 1.11 'relative height' bmse001119 3 29 2.20 'relative height' bmse001119 3 30 0.99 'relative height' bmse001119 3 31 0.30 'relative height' bmse001119 3 32 1.82 'relative height' bmse001119 3 33 0.40 'relative height' bmse001119 3 34 0.85 'relative height' bmse001119 3 35 1.30 'relative height' bmse001119 3 36 1.10 'relative height' bmse001119 3 37 0.29 'relative height' bmse001119 3 38 0.87 'relative height' bmse001119 3 39 0.87 'relative height' bmse001119 3 40 1.94 'relative height' bmse001119 3 41 2.93 'relative height' bmse001119 3 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 1 173.5806 bmse001119 3 2 1 173.1900 bmse001119 3 3 1 130.0229 bmse001119 3 4 1 129.6996 bmse001119 3 5 1 129.6875 bmse001119 3 6 1 70.5815 bmse001119 3 7 1 70.5221 bmse001119 3 8 1 66.4268 bmse001119 3 9 1 66.3765 bmse001119 3 10 1 63.3616 bmse001119 3 11 1 63.3201 bmse001119 3 12 1 63.0157 bmse001119 3 13 1 59.3164 bmse001119 3 14 1 59.2784 bmse001119 3 15 1 54.4484 bmse001119 3 16 1 34.3335 bmse001119 3 17 1 34.1516 bmse001119 3 18 1 34.1336 bmse001119 3 19 1 31.9414 bmse001119 3 20 1 31.9197 bmse001119 3 21 1 29.7782 bmse001119 3 22 1 29.7340 bmse001119 3 23 1 29.7165 bmse001119 3 24 1 29.6882 bmse001119 3 25 1 29.5616 bmse001119 3 26 1 29.5498 bmse001119 3 27 1 29.3835 bmse001119 3 28 1 29.3527 bmse001119 3 29 1 29.3348 bmse001119 3 30 1 29.2889 bmse001119 3 31 1 29.2604 bmse001119 3 32 1 29.2017 bmse001119 3 33 1 29.1657 bmse001119 3 34 1 29.1294 bmse001119 3 35 1 27.2376 bmse001119 3 36 1 27.2096 bmse001119 3 37 1 24.9880 bmse001119 3 38 1 24.9746 bmse001119 3 39 1 24.9093 bmse001119 3 40 1 22.7047 bmse001119 3 41 1 14.1356 bmse001119 3 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Assembly_atom_ID _Assigned_spectral_transition.Val _Assigned_spectral_transition.Assigned_chem_shift_list_ID _Assigned_spectral_transition.Atom_chem_shift_ID _Assigned_spectral_transition.Entity_assembly_ID _Assigned_spectral_transition.Entity_ID _Assigned_spectral_transition.Comp_index_ID _Assigned_spectral_transition.Comp_ID _Assigned_spectral_transition.Atom_ID _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 10 1 47 63.3616 1 37 1 1 1 BMET001119 C39 bmse001119 3 12 1 46 63.0157 1 36 1 1 1 BMET001119 C38 bmse001119 3 13 1 27 59.3164 1 17 1 1 1 BMET001119 C37 bmse001119 3 15 1 24 54.4484 1 14 1 1 1 BMET001119 C3 bmse001119 3 16 1 29 34.3335 1 19 1 1 1 BMET001119 C34 bmse001119 3 19 1 22 31.9414 1 12 1 1 1 BMET001119 C9 bmse001119 3 35 1 40 27.2376 1 30 1 1 1 BMET001119 C23 bmse001119 3 38 1 36 24.9746 1 26 1 1 1 BMET001119 C33 bmse001119 3 40 1 28 22.7047 1 18 1 1 1 BMET001119 C7 bmse001119 3 41 1 39 14.1356 1 29 1 1 1 BMET001119 C2 bmse001119 3 6 1 44 70.5815 1 34 1 1 1 BMET001119 C40 bmse001119 3 8 1 21 66.4268 1 11 1 1 1 BMET001119 C36 bmse001119 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Entry_ID bmse001119 _Spectral_peak_list.ID 4 _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 4 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _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 C 13 'Full C' 236.77 ppm bmse001119 4 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 bmse001119 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001119 4 2 bmse001119 4 3 bmse001119 4 4 bmse001119 4 5 bmse001119 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 15.00 'relative height' bmse001119 4 2 3.87 'relative height' bmse001119 4 3 9.47 'relative height' bmse001119 4 4 4.47 'relative height' bmse001119 4 5 4.61 'relative height' bmse001119 4 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 1 130.0220 bmse001119 4 2 1 129.7015 bmse001119 4 3 1 129.6893 bmse001119 4 4 1 70.5784 bmse001119 4 5 1 70.5195 bmse001119 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Entry_ID bmse001119 _Spectral_peak_list.ID 5 _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 5 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Details 'F1: 13C' loop_ _Spectral_dim.ID _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 C 13 'Full C' 236.77 ppm bmse001119 5 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 bmse001119 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001119 5 2 bmse001119 5 3 bmse001119 5 4 bmse001119 5 5 bmse001119 5 6 bmse001119 5 7 bmse001119 5 8 bmse001119 5 9 bmse001119 5 10 bmse001119 5 11 bmse001119 5 12 bmse001119 5 13 bmse001119 5 14 bmse001119 5 15 bmse001119 5 16 bmse001119 5 17 bmse001119 5 18 bmse001119 5 19 bmse001119 5 20 bmse001119 5 21 bmse001119 5 22 bmse001119 5 23 bmse001119 5 24 bmse001119 5 25 bmse001119 5 26 bmse001119 5 27 bmse001119 5 28 bmse001119 5 29 bmse001119 5 30 bmse001119 5 31 bmse001119 5 32 bmse001119 5 33 bmse001119 5 34 bmse001119 5 35 bmse001119 5 36 bmse001119 5 37 bmse001119 5 38 bmse001119 5 39 bmse001119 5 40 bmse001119 5 41 bmse001119 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 5.75 'relative height' bmse001119 5 2 3.89 'relative height' bmse001119 5 3 0.64 'relative height' bmse001119 5 4 1.93 'relative height' bmse001119 5 5 2.02 'relative height' bmse001119 5 6 -1.38 'relative height' bmse001119 5 7 -1.34 'relative height' bmse001119 5 8 -1.68 'relative height' bmse001119 5 9 -1.63 'relative height' bmse001119 5 10 -3.58 'relative height' bmse001119 5 11 -1.86 'relative height' bmse001119 5 12 -1.95 'relative height' bmse001119 5 13 7.41 'relative height' bmse001119 5 14 -1.48 'relative height' bmse001119 5 15 -5.38 'relative height' bmse001119 5 16 -5.82 'relative height' bmse001119 5 17 -5.02 'relative height' bmse001119 5 18 -6.38 'relative height' bmse001119 5 19 -9.10 'relative height' bmse001119 5 20 -15.00 'relative height' bmse001119 5 21 -4.05 'relative height' bmse001119 5 22 -7.34 'relative height' bmse001119 5 23 -1.11 'relative height' bmse001119 5 24 -4.34 'relative height' bmse001119 5 25 -6.46 'relative height' bmse001119 5 26 -0.15 'relative height' bmse001119 5 27 -4.93 'relative height' bmse001119 5 28 -5.08 'relative height' bmse001119 5 29 -6.69 'relative height' bmse001119 5 30 -4.66 'relative height' bmse001119 5 31 -1.28 'relative height' bmse001119 5 32 -8.66 'relative height' bmse001119 5 33 -2.17 'relative height' bmse001119 5 34 -5.20 'relative height' bmse001119 5 35 -6.34 'relative height' bmse001119 5 36 -6.28 'relative height' bmse001119 5 37 -1.63 'relative height' bmse001119 5 38 -6.49 'relative height' bmse001119 5 39 -6.71 'relative height' bmse001119 5 40 -6.56 'relative height' bmse001119 5 41 8.57 'relative height' bmse001119 5 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 1 130.0215 bmse001119 5 2 1 129.6848 bmse001119 5 3 1 77.2371 bmse001119 5 4 1 70.5781 bmse001119 5 5 1 70.5191 bmse001119 5 6 1 66.4229 bmse001119 5 7 1 66.3735 bmse001119 5 8 1 63.3586 bmse001119 5 9 1 63.3166 bmse001119 5 10 1 63.0120 bmse001119 5 11 1 59.3131 bmse001119 5 12 1 59.2746 bmse001119 5 13 1 54.4455 bmse001119 5 14 1 34.3480 bmse001119 5 15 1 34.3295 bmse001119 5 16 1 34.1480 bmse001119 5 17 1 31.9371 bmse001119 5 18 1 31.9152 bmse001119 5 19 1 29.7739 bmse001119 5 20 1 29.7322 bmse001119 5 21 1 29.7127 bmse001119 5 22 1 29.6842 bmse001119 5 23 1 29.5721 bmse001119 5 24 1 29.5592 bmse001119 5 25 1 29.5452 bmse001119 5 26 1 29.4645 bmse001119 5 27 1 29.3800 bmse001119 5 28 1 29.3477 bmse001119 5 29 1 29.3298 bmse001119 5 30 1 29.2847 bmse001119 5 31 1 29.2561 bmse001119 5 32 1 29.1978 bmse001119 5 33 1 29.1621 bmse001119 5 34 1 29.1256 bmse001119 5 35 1 27.2349 bmse001119 5 36 1 27.2084 bmse001119 5 37 1 24.9840 bmse001119 5 38 1 24.9705 bmse001119 5 39 1 24.9054 bmse001119 5 40 1 22.6967 bmse001119 5 41 1 14.1321 bmse001119 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H_13C_HSQC_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H_13C_HSQC_set01 _Spectral_peak_list.Entry_ID bmse001119 _Spectral_peak_list.ID 6 _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 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' loop_ _Spectral_dim.ID _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 C 13 'Full C' 165.64 ppm bmse001119 6 2 H 1 'Full H' 12.99 ppm bmse001119 6 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 bmse001119 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001119 6 2 bmse001119 6 3 bmse001119 6 4 bmse001119 6 5 bmse001119 6 6 bmse001119 6 7 bmse001119 6 8 bmse001119 6 9 bmse001119 6 10 bmse001119 6 11 bmse001119 6 12 bmse001119 6 13 bmse001119 6 14 bmse001119 6 15 bmse001119 6 16 bmse001119 6 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 224825.93 'absolute height' bmse001119 6 2 146623.91 'absolute height' bmse001119 6 3 271661.61 'absolute height' bmse001119 6 4 144578.17 'absolute height' bmse001119 6 5 109952.89 'absolute height' bmse001119 6 6 116674.05 'absolute height' bmse001119 6 7 214032.75 'absolute height' bmse001119 6 8 1244620.96 'absolute height' bmse001119 6 9 328606.63 'absolute height' bmse001119 6 10 199346.27 'absolute height' bmse001119 6 11 1682832.55 'absolute height' bmse001119 6 12 420863.26 'absolute height' bmse001119 6 13 160711.14 'absolute height' bmse001119 6 14 292849.50 'absolute height' bmse001119 6 15 388902.42 'absolute height' bmse001119 6 16 343907.91 'absolute height' bmse001119 6 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 1 129.9513 bmse001119 6 1 2 5.3455 bmse001119 6 2 1 70.5399 bmse001119 6 2 2 5.2060 bmse001119 6 3 1 66.3345 bmse001119 6 3 2 3.8166 bmse001119 6 4 1 63.4308 bmse001119 6 4 2 3.9527 bmse001119 6 5 1 63.1304 bmse001119 6 5 2 4.1285 bmse001119 6 6 1 63.0303 bmse001119 6 6 2 4.4064 bmse001119 6 7 1 59.2255 bmse001119 6 7 2 4.3270 bmse001119 6 8 1 54.5195 bmse001119 6 8 2 3.3799 bmse001119 6 9 1 34.1889 bmse001119 6 9 2 2.2960 bmse001119 6 10 1 31.9438 bmse001119 6 10 2 1.2488 bmse001119 6 11 1 29.4422 bmse001119 6 11 2 1.2660 bmse001119 6 12 1 29.6346 bmse001119 6 12 2 1.3003 bmse001119 6 13 1 22.8353 bmse001119 6 13 2 1.2875 bmse001119 6 14 1 24.8238 bmse001119 6 14 2 1.5836 bmse001119 6 15 1 27.2613 bmse001119 6 15 2 2.0170 bmse001119 6 16 1 14.1759 bmse001119 6 16 2 0.8884 bmse001119 6 stop_ save_