######################### # 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 bmse001184 _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 bmse001184 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 bmse001184 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001184 1 2 bmse001184 1 3 bmse001184 1 4 bmse001184 1 5 bmse001184 1 6 bmse001184 1 7 bmse001184 1 8 bmse001184 1 9 bmse001184 1 10 bmse001184 1 11 bmse001184 1 12 bmse001184 1 13 bmse001184 1 14 bmse001184 1 15 bmse001184 1 16 bmse001184 1 17 bmse001184 1 18 bmse001184 1 19 bmse001184 1 20 bmse001184 1 21 bmse001184 1 22 bmse001184 1 23 bmse001184 1 24 bmse001184 1 25 bmse001184 1 26 bmse001184 1 27 bmse001184 1 28 bmse001184 1 29 bmse001184 1 30 bmse001184 1 31 bmse001184 1 32 bmse001184 1 33 bmse001184 1 34 bmse001184 1 35 bmse001184 1 36 bmse001184 1 37 bmse001184 1 38 bmse001184 1 39 bmse001184 1 40 bmse001184 1 41 bmse001184 1 42 bmse001184 1 43 bmse001184 1 44 bmse001184 1 45 bmse001184 1 46 bmse001184 1 47 bmse001184 1 48 bmse001184 1 49 bmse001184 1 50 bmse001184 1 51 bmse001184 1 52 bmse001184 1 53 bmse001184 1 54 bmse001184 1 55 bmse001184 1 56 bmse001184 1 57 bmse001184 1 58 bmse001184 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 0.40 'relative height' bmse001184 1 2 1.68 'relative height' bmse001184 1 3 1.84 'relative height' bmse001184 1 4 1.24 'relative height' bmse001184 1 5 2.32 'relative height' bmse001184 1 6 1.43 'relative height' bmse001184 1 7 1.73 'relative height' bmse001184 1 8 2.85 'relative height' bmse001184 1 9 0.21 'relative height' bmse001184 1 10 2.24 'relative height' bmse001184 1 11 1.48 'relative height' bmse001184 1 12 1.94 'relative height' bmse001184 1 13 1.73 'relative height' bmse001184 1 14 1.90 'relative height' bmse001184 1 15 1.89 'relative height' bmse001184 1 16 2.15 'relative height' bmse001184 1 17 2.23 'relative height' bmse001184 1 18 0.94 'relative height' bmse001184 1 19 0.94 'relative height' bmse001184 1 20 1.00 'relative height' bmse001184 1 21 1.26 'relative height' bmse001184 1 22 1.27 'relative height' bmse001184 1 23 1.08 'relative height' bmse001184 1 24 0.44 'relative height' bmse001184 1 25 1.08 'relative height' bmse001184 1 26 1.10 'relative height' bmse001184 1 27 0.45 'relative height' bmse001184 1 28 2.76 'relative height' bmse001184 1 29 2.08 'relative height' bmse001184 1 30 1.86 'relative height' bmse001184 1 31 1.75 'relative height' bmse001184 1 32 1.28 'relative height' bmse001184 1 33 1.26 'relative height' bmse001184 1 34 0.98 'relative height' bmse001184 1 35 0.92 'relative height' bmse001184 1 36 0.81 'relative height' bmse001184 1 37 0.71 'relative height' bmse001184 1 38 0.91 'relative height' bmse001184 1 39 0.88 'relative height' bmse001184 1 40 15.00 'relative height' bmse001184 1 41 1.33 'relative height' bmse001184 1 42 1.28 'relative height' bmse001184 1 43 1.23 'relative height' bmse001184 1 44 1.17 'relative height' bmse001184 1 45 0.48 'relative height' bmse001184 1 46 0.26 'relative height' bmse001184 1 47 11.04 'relative height' bmse001184 1 48 1.39 'relative height' bmse001184 1 49 1.13 'relative height' bmse001184 1 50 1.13 'relative height' bmse001184 1 51 4.15 'relative height' bmse001184 1 52 0.21 'relative height' bmse001184 1 53 0.20 'relative height' bmse001184 1 54 5.85 'relative height' bmse001184 1 55 5.93 'relative height' bmse001184 1 56 6.09 'relative height' bmse001184 1 57 6.04 'relative height' bmse001184 1 58 0.33 'relative height' bmse001184 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 11.6290 bmse001184 1 2 1 8.2175 bmse001184 1 3 1 8.2009 bmse001184 1 4 1 7.6266 bmse001184 1 5 1 7.6105 bmse001184 1 6 1 7.5941 bmse001184 1 7 1 7.5243 bmse001184 1 8 1 7.5076 bmse001184 1 9 1 7.4718 bmse001184 1 10 1 7.4572 bmse001184 1 11 1 7.4404 bmse001184 1 12 1 7.4152 bmse001184 1 13 1 7.3995 bmse001184 1 14 1 5.7228 bmse001184 1 15 1 5.7141 bmse001184 1 16 1 5.3438 bmse001184 1 17 1 5.3289 bmse001184 1 18 1 4.4461 bmse001184 1 19 1 4.4419 bmse001184 1 20 1 4.2919 bmse001184 1 21 1 4.2767 bmse001184 1 22 1 4.2739 bmse001184 1 23 1 4.2588 bmse001184 1 24 1 4.2214 bmse001184 1 25 1 4.2084 bmse001184 1 26 1 4.1953 bmse001184 1 27 1 4.1823 bmse001184 1 28 1 3.9230 bmse001184 1 29 1 3.9157 bmse001184 1 30 1 3.9086 bmse001184 1 31 1 3.8952 bmse001184 1 32 1 3.8831 bmse001184 1 33 1 3.8807 bmse001184 1 34 1 3.8750 bmse001184 1 35 1 3.8715 bmse001184 1 36 1 3.8642 bmse001184 1 37 1 3.8555 bmse001184 1 38 1 3.7955 bmse001184 1 39 1 3.7773 bmse001184 1 40 1 3.3639 bmse001184 1 41 1 3.3225 bmse001184 1 42 1 3.3162 bmse001184 1 43 1 3.3028 bmse001184 1 44 1 3.2966 bmse001184 1 45 1 2.9690 bmse001184 1 46 1 2.9490 bmse001184 1 47 1 2.8208 bmse001184 1 48 1 2.2713 bmse001184 1 49 1 2.2259 bmse001184 1 50 1 2.2100 bmse001184 1 51 1 1.6447 bmse001184 1 52 1 1.5372 bmse001184 1 53 1 1.5245 bmse001184 1 54 1 1.4627 bmse001184 1 55 1 1.4497 bmse001184 1 56 1 1.4113 bmse001184 1 57 1 1.3982 bmse001184 1 58 1 1.2524 bmse001184 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 bmse001184 _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' 248.61 ppm bmse001184 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 bmse001184 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001184 3 2 bmse001184 3 3 bmse001184 3 4 bmse001184 3 5 bmse001184 3 6 bmse001184 3 7 bmse001184 3 8 bmse001184 3 9 bmse001184 3 10 bmse001184 3 11 bmse001184 3 12 bmse001184 3 13 bmse001184 3 14 bmse001184 3 15 bmse001184 3 16 bmse001184 3 17 bmse001184 3 18 bmse001184 3 19 bmse001184 3 20 bmse001184 3 21 bmse001184 3 22 bmse001184 3 23 bmse001184 3 24 bmse001184 3 25 bmse001184 3 26 bmse001184 3 27 bmse001184 3 28 bmse001184 3 29 bmse001184 3 30 bmse001184 3 31 bmse001184 3 32 bmse001184 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 0.29 'relative height' bmse001184 3 2 0.26 'relative height' bmse001184 3 3 0.15 'relative height' bmse001184 3 4 0.16 'relative height' bmse001184 3 5 0.21 'relative height' bmse001184 3 6 0.16 'relative height' bmse001184 3 7 0.23 'relative height' bmse001184 3 8 0.30 'relative height' bmse001184 3 9 0.32 'relative height' bmse001184 3 10 0.28 'relative height' bmse001184 3 11 0.32 'relative height' bmse001184 3 12 0.22 'relative height' bmse001184 3 13 0.20 'relative height' bmse001184 3 14 0.22 'relative height' bmse001184 3 15 0.13 'relative height' bmse001184 3 16 0.06 'relative height' bmse001184 3 17 0.14 'relative height' bmse001184 3 18 0.40 'relative height' bmse001184 3 19 0.27 'relative height' bmse001184 3 20 0.27 'relative height' bmse001184 3 21 0.36 'relative height' bmse001184 3 22 0.40 'relative height' bmse001184 3 23 0.30 'relative height' bmse001184 3 24 0.42 'relative height' bmse001184 3 25 0.41 'relative height' bmse001184 3 26 0.41 'relative height' bmse001184 3 27 0.30 'relative height' bmse001184 3 28 0.32 'relative height' bmse001184 3 29 0.45 'relative height' bmse001184 3 30 0.43 'relative height' bmse001184 3 31 0.40 'relative height' bmse001184 3 32 0.42 'relative height' bmse001184 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 1 164.7392 bmse001184 3 2 1 159.1013 bmse001184 3 3 1 157.2593 bmse001184 3 4 1 152.9938 bmse001184 3 5 1 146.4829 bmse001184 3 6 1 140.2069 bmse001184 3 7 1 138.5234 bmse001184 3 8 1 132.9455 bmse001184 3 9 1 127.8167 bmse001184 3 10 1 126.8304 bmse001184 3 11 1 120.9043 bmse001184 3 12 1 119.8192 bmse001184 3 13 1 118.9087 bmse001184 3 14 1 118.3591 bmse001184 3 15 1 117.7618 bmse001184 3 16 1 115.1001 bmse001184 3 17 1 108.9916 bmse001184 3 18 1 101.5631 bmse001184 3 19 1 98.7061 bmse001184 3 20 1 96.6233 bmse001184 3 21 1 82.5095 bmse001184 3 22 1 80.0738 bmse001184 3 23 1 73.1105 bmse001184 3 24 1 70.8550 bmse001184 3 25 1 70.7942 bmse001184 3 26 1 67.9719 bmse001184 3 27 1 67.4762 bmse001184 3 28 1 67.0853 bmse001184 3 29 1 56.9769 bmse001184 3 30 1 22.3002 bmse001184 3 31 1 16.4565 bmse001184 3 32 1 16.4370 bmse001184 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 1 1 41 164.7392 1 27 1 1 1 BMET001184 C30 bmse001184 3 10 1 31 126.8304 1 17 1 1 1 BMET001184 C13 bmse001184 3 11 1 44 120.9043 1 30 1 1 1 BMET001184 C9 bmse001184 3 12 1 35 119.8192 1 21 1 1 1 BMET001184 C18 bmse001184 3 13 1 28 118.9087 1 14 1 1 1 BMET001184 C17 bmse001184 3 14 1 37 118.3591 1 23 1 1 1 BMET001184 C6 bmse001184 3 15 1 38 117.7618 1 24 1 1 1 BMET001184 C16 bmse001184 3 16 1 33 115.1001 1 19 1 1 1 BMET001184 C7 bmse001184 3 17 1 32 108.9916 1 18 1 1 1 BMET001184 C19 bmse001184 3 2 1 42 159.1013 1 28 1 1 1 BMET001184 C29 bmse001184 3 29 1 29 56.9769 1 15 1 1 1 BMET001184 C4 bmse001184 3 3 1 36 157.2593 1 22 1 1 1 BMET001184 C23 bmse001184 3 30 1 46 22.3002 1 32 1 1 1 BMET001184 C1 bmse001184 3 4 1 27 152.9938 1 13 1 1 1 BMET001184 C14 bmse001184 3 5 1 40 146.4829 1 26 1 1 1 BMET001184 C15 bmse001184 3 6 1 43 140.2069 1 29 1 1 1 BMET001184 C10 bmse001184 3 7 1 30 138.5234 1 16 1 1 1 BMET001184 C26 bmse001184 3 8 1 45 132.9455 1 31 1 1 1 BMET001184 C8 bmse001184 3 9 1 39 127.8167 1 25 1 1 1 BMET001184 C5 bmse001184 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 bmse001184 _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 bmse001184 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 bmse001184 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001184 4 2 bmse001184 4 3 bmse001184 4 4 bmse001184 4 5 bmse001184 4 6 bmse001184 4 7 bmse001184 4 8 bmse001184 4 9 bmse001184 4 10 bmse001184 4 11 bmse001184 4 12 bmse001184 4 13 bmse001184 4 14 bmse001184 4 15 bmse001184 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 9.48 'relative height' bmse001184 4 2 10.73 'relative height' bmse001184 4 3 8.15 'relative height' bmse001184 4 4 7.71 'relative height' bmse001184 4 5 1.78 'relative height' bmse001184 4 6 10.85 'relative height' bmse001184 4 7 11.78 'relative height' bmse001184 4 8 9.14 'relative height' bmse001184 4 9 12.96 'relative height' bmse001184 4 10 13.98 'relative height' bmse001184 4 11 11.69 'relative height' bmse001184 4 12 13.62 'relative height' bmse001184 4 13 15.00 'relative height' bmse001184 4 14 13.82 'relative height' bmse001184 4 15 11.84 'relative height' bmse001184 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 1 132.9286 bmse001184 4 2 1 127.7988 bmse001184 4 3 1 120.8875 bmse001184 4 4 1 118.3406 bmse001184 4 5 1 115.0828 bmse001184 4 6 1 101.5453 bmse001184 4 7 1 98.6897 bmse001184 4 8 1 82.4915 bmse001184 4 9 1 80.0535 bmse001184 4 10 1 73.0940 bmse001184 4 11 1 70.8383 bmse001184 4 12 1 70.7746 bmse001184 4 13 1 67.9558 bmse001184 4 14 1 67.4574 bmse001184 4 15 1 67.0678 bmse001184 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 bmse001184 _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 bmse001184 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 bmse001184 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001184 5 2 bmse001184 5 3 bmse001184 5 4 bmse001184 5 5 bmse001184 5 6 bmse001184 5 7 bmse001184 5 8 bmse001184 5 9 bmse001184 5 10 bmse001184 5 11 bmse001184 5 12 bmse001184 5 13 bmse001184 5 14 bmse001184 5 15 bmse001184 5 16 bmse001184 5 17 bmse001184 5 18 bmse001184 5 19 bmse001184 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 5.98 'relative height' bmse001184 5 2 7.43 'relative height' bmse001184 5 3 5.40 'relative height' bmse001184 5 4 5.15 'relative height' bmse001184 5 5 1.13 'relative height' bmse001184 5 6 7.35 'relative height' bmse001184 5 7 7.87 'relative height' bmse001184 5 8 6.27 'relative height' bmse001184 5 9 8.93 'relative height' bmse001184 5 10 9.66 'relative height' bmse001184 5 11 8.21 'relative height' bmse001184 5 12 9.14 'relative height' bmse001184 5 13 10.53 'relative height' bmse001184 5 14 9.46 'relative height' bmse001184 5 15 7.76 'relative height' bmse001184 5 16 12.98 'relative height' bmse001184 5 17 8.50 'relative height' bmse001184 5 18 15.00 'relative height' bmse001184 5 19 11.52 'relative height' bmse001184 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 1 132.9470 bmse001184 5 2 1 127.8176 bmse001184 5 3 1 120.9056 bmse001184 5 4 1 118.3594 bmse001184 5 5 1 115.1050 bmse001184 5 6 1 101.5643 bmse001184 5 7 1 98.7085 bmse001184 5 8 1 82.5119 bmse001184 5 9 1 80.0724 bmse001184 5 10 1 73.1131 bmse001184 5 11 1 70.8575 bmse001184 5 12 1 70.7938 bmse001184 5 13 1 67.9749 bmse001184 5 14 1 67.4764 bmse001184 5 15 1 67.0871 bmse001184 5 16 1 56.9831 bmse001184 5 17 1 22.2990 bmse001184 5 18 1 16.4571 bmse001184 5 19 1 16.4423 bmse001184 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 bmse001184 _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 bmse001184 6 2 H 1 'Full H' 12.99 ppm bmse001184 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 bmse001184 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001184 6 2 bmse001184 6 3 bmse001184 6 4 bmse001184 6 5 bmse001184 6 6 bmse001184 6 7 bmse001184 6 8 bmse001184 6 9 bmse001184 6 10 bmse001184 6 11 bmse001184 6 12 bmse001184 6 13 bmse001184 6 14 bmse001184 6 15 bmse001184 6 16 bmse001184 6 17 bmse001184 6 18 bmse001184 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 34390.44 'absolute height' bmse001184 6 2 36750.35 'absolute height' bmse001184 6 3 22506.94 'absolute height' bmse001184 6 4 41802.76 'absolute height' bmse001184 6 5 39056.29 'absolute height' bmse001184 6 6 44367.23 'absolute height' bmse001184 6 7 51475.84 'absolute height' bmse001184 6 8 44269.05 'absolute height' bmse001184 6 9 41022.02 'absolute height' bmse001184 6 10 42808.53 'absolute height' bmse001184 6 11 85947.76 'absolute height' bmse001184 6 12 38326.61 'absolute height' bmse001184 6 13 51155.65 'absolute height' bmse001184 6 14 47984.14 'absolute height' bmse001184 6 15 96755.76 'absolute height' bmse001184 6 16 112930.45 'absolute height' bmse001184 6 17 116519.19 'absolute height' bmse001184 6 18 88993.31 'absolute height' bmse001184 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 1 132.9350 bmse001184 6 1 2 7.4537 bmse001184 6 2 1 127.8082 bmse001184 6 2 2 7.6116 bmse001184 6 3 1 120.7758 bmse001184 6 3 2 7.5129 bmse001184 6 4 1 118.2350 bmse001184 6 4 2 8.2039 bmse001184 6 5 1 115.1499 bmse001184 6 5 2 7.4086 bmse001184 6 6 1 101.6240 bmse001184 6 6 2 5.7136 bmse001184 6 7 1 98.6366 bmse001184 6 7 2 5.3350 bmse001184 6 8 1 82.4762 bmse001184 6 8 2 4.2675 bmse001184 6 9 1 79.9945 bmse001184 6 9 2 3.3096 bmse001184 6 10 1 73.1831 bmse001184 6 10 2 3.7869 bmse001184 6 11 1 70.7542 bmse001184 6 11 2 3.9105 bmse001184 6 12 1 67.5333 bmse001184 6 12 2 3.8658 bmse001184 6 13 1 68.0613 bmse001184 6 13 2 3.9208 bmse001184 6 14 1 67.0053 bmse001184 6 14 2 4.1954 bmse001184 6 15 1 57.0258 bmse001184 6 15 2 3.3680 bmse001184 6 16 1 22.3457 bmse001184 6 16 2 2.8207 bmse001184 6 17 1 16.3896 bmse001184 6 17 2 1.4615 bmse001184 6 18 1 16.4319 bmse001184 6 18 2 1.4146 bmse001184 6 stop_ save_