######################### # 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 bmse001145 _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 bmse001145 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 bmse001145 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001145 1 2 bmse001145 1 3 bmse001145 1 4 bmse001145 1 5 bmse001145 1 6 bmse001145 1 7 bmse001145 1 8 bmse001145 1 9 bmse001145 1 10 bmse001145 1 11 bmse001145 1 12 bmse001145 1 13 bmse001145 1 14 bmse001145 1 15 bmse001145 1 16 bmse001145 1 17 bmse001145 1 18 bmse001145 1 19 bmse001145 1 20 bmse001145 1 21 bmse001145 1 22 bmse001145 1 23 bmse001145 1 24 bmse001145 1 25 bmse001145 1 26 bmse001145 1 27 bmse001145 1 28 bmse001145 1 29 bmse001145 1 30 bmse001145 1 31 bmse001145 1 32 bmse001145 1 33 bmse001145 1 34 bmse001145 1 35 bmse001145 1 36 bmse001145 1 37 bmse001145 1 38 bmse001145 1 39 bmse001145 1 40 bmse001145 1 41 bmse001145 1 42 bmse001145 1 43 bmse001145 1 44 bmse001145 1 45 bmse001145 1 46 bmse001145 1 47 bmse001145 1 48 bmse001145 1 49 bmse001145 1 50 bmse001145 1 51 bmse001145 1 52 bmse001145 1 53 bmse001145 1 54 bmse001145 1 55 bmse001145 1 56 bmse001145 1 57 bmse001145 1 58 bmse001145 1 59 bmse001145 1 60 bmse001145 1 61 bmse001145 1 62 bmse001145 1 63 bmse001145 1 64 bmse001145 1 65 bmse001145 1 66 bmse001145 1 67 bmse001145 1 68 bmse001145 1 69 bmse001145 1 70 bmse001145 1 71 bmse001145 1 72 bmse001145 1 73 bmse001145 1 74 bmse001145 1 75 bmse001145 1 76 bmse001145 1 77 bmse001145 1 78 bmse001145 1 79 bmse001145 1 80 bmse001145 1 81 bmse001145 1 82 bmse001145 1 83 bmse001145 1 84 bmse001145 1 85 bmse001145 1 86 bmse001145 1 87 bmse001145 1 88 bmse001145 1 89 bmse001145 1 90 bmse001145 1 91 bmse001145 1 92 bmse001145 1 93 bmse001145 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 0.30 'relative height' bmse001145 1 2 0.86 'relative height' bmse001145 1 3 1.11 'relative height' bmse001145 1 4 0.87 'relative height' bmse001145 1 5 1.35 'relative height' bmse001145 1 6 1.85 'relative height' bmse001145 1 7 1.80 'relative height' bmse001145 1 8 2.04 'relative height' bmse001145 1 9 1.71 'relative height' bmse001145 1 10 2.15 'relative height' bmse001145 1 11 2.37 'relative height' bmse001145 1 12 3.41 'relative height' bmse001145 1 13 4.69 'relative height' bmse001145 1 14 3.72 'relative height' bmse001145 1 15 4.39 'relative height' bmse001145 1 16 10.55 'relative height' bmse001145 1 17 3.37 'relative height' bmse001145 1 18 4.89 'relative height' bmse001145 1 19 5.95 'relative height' bmse001145 1 20 7.38 'relative height' bmse001145 1 21 5.39 'relative height' bmse001145 1 22 4.19 'relative height' bmse001145 1 23 3.63 'relative height' bmse001145 1 24 1.98 'relative height' bmse001145 1 25 1.23 'relative height' bmse001145 1 26 1.07 'relative height' bmse001145 1 27 0.86 'relative height' bmse001145 1 28 1.42 'relative height' bmse001145 1 29 0.82 'relative height' bmse001145 1 30 0.35 'relative height' bmse001145 1 31 0.53 'relative height' bmse001145 1 32 0.30 'relative height' bmse001145 1 33 6.90 'relative height' bmse001145 1 34 11.77 'relative height' bmse001145 1 35 6.10 'relative height' bmse001145 1 36 0.42 'relative height' bmse001145 1 37 8.17 'relative height' bmse001145 1 38 12.96 'relative height' bmse001145 1 39 8.36 'relative height' bmse001145 1 40 0.33 'relative height' bmse001145 1 41 0.45 'relative height' bmse001145 1 42 2.65 'relative height' bmse001145 1 43 1.73 'relative height' bmse001145 1 44 4.99 'relative height' bmse001145 1 45 2.89 'relative height' bmse001145 1 46 4.73 'relative height' bmse001145 1 47 2.27 'relative height' bmse001145 1 48 4.22 'relative height' bmse001145 1 49 4.96 'relative height' bmse001145 1 50 4.98 'relative height' bmse001145 1 51 1.94 'relative height' bmse001145 1 52 2.11 'relative height' bmse001145 1 53 4.92 'relative height' bmse001145 1 54 2.01 'relative height' bmse001145 1 55 5.77 'relative height' bmse001145 1 56 4.53 'relative height' bmse001145 1 57 2.22 'relative height' bmse001145 1 58 0.25 'relative height' bmse001145 1 59 0.29 'relative height' bmse001145 1 60 0.26 'relative height' bmse001145 1 61 2.37 'relative height' bmse001145 1 62 2.44 'relative height' bmse001145 1 63 4.98 'relative height' bmse001145 1 64 2.93 'relative height' bmse001145 1 65 6.11 'relative height' bmse001145 1 66 1.99 'relative height' bmse001145 1 67 4.21 'relative height' bmse001145 1 68 1.93 'relative height' bmse001145 1 69 1.44 'relative height' bmse001145 1 70 2.75 'relative height' bmse001145 1 71 4.01 'relative height' bmse001145 1 72 3.59 'relative height' bmse001145 1 73 3.58 'relative height' bmse001145 1 74 2.17 'relative height' bmse001145 1 75 2.89 'relative height' bmse001145 1 76 2.56 'relative height' bmse001145 1 77 3.26 'relative height' bmse001145 1 78 2.87 'relative height' bmse001145 1 79 5.19 'relative height' bmse001145 1 80 4.81 'relative height' bmse001145 1 81 7.81 'relative height' bmse001145 1 82 5.65 'relative height' bmse001145 1 83 3.97 'relative height' bmse001145 1 84 3.49 'relative height' bmse001145 1 85 1.80 'relative height' bmse001145 1 86 1.13 'relative height' bmse001145 1 87 0.99 'relative height' bmse001145 1 88 0.80 'relative height' bmse001145 1 89 0.57 'relative height' bmse001145 1 90 0.38 'relative height' bmse001145 1 91 6.24 'relative height' bmse001145 1 92 15.00 'relative height' bmse001145 1 93 6.67 'relative height' bmse001145 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 5.4636 bmse001145 1 2 1 5.4295 bmse001145 1 3 1 5.4266 bmse001145 1 4 1 5.4238 bmse001145 1 5 1 5.4151 bmse001145 1 6 1 5.4123 bmse001145 1 7 1 5.4086 bmse001145 1 8 1 5.4052 bmse001145 1 9 1 5.4011 bmse001145 1 10 1 5.3980 bmse001145 1 11 1 5.3937 bmse001145 1 12 1 5.3909 bmse001145 1 13 1 5.3873 bmse001145 1 14 1 5.3828 bmse001145 1 15 1 5.3795 bmse001145 1 16 1 5.3760 bmse001145 1 17 1 5.3714 bmse001145 1 18 1 5.3681 bmse001145 1 19 1 5.3667 bmse001145 1 20 1 5.3646 bmse001145 1 21 1 5.3581 bmse001145 1 22 1 5.3560 bmse001145 1 23 1 5.3464 bmse001145 1 24 1 5.3435 bmse001145 1 25 1 5.3361 bmse001145 1 26 1 5.3321 bmse001145 1 27 1 5.3275 bmse001145 1 28 1 5.3249 bmse001145 1 29 1 5.3222 bmse001145 1 30 1 5.3133 bmse001145 1 31 1 5.3106 bmse001145 1 32 1 5.3078 bmse001145 1 33 1 2.8202 bmse001145 1 34 1 2.8089 bmse001145 1 35 1 2.7974 bmse001145 1 36 1 2.7797 bmse001145 1 37 1 2.3801 bmse001145 1 38 1 2.3652 bmse001145 1 39 1 2.3501 bmse001145 1 40 1 2.3178 bmse001145 1 41 1 2.1347 bmse001145 1 42 1 2.1169 bmse001145 1 43 1 2.1123 bmse001145 1 44 1 2.1023 bmse001145 1 45 1 2.0974 bmse001145 1 46 1 2.0911 bmse001145 1 47 1 2.0823 bmse001145 1 48 1 2.0764 bmse001145 1 49 1 2.0637 bmse001145 1 50 1 2.0494 bmse001145 1 51 1 2.0350 bmse001145 1 52 1 1.6908 bmse001145 1 53 1 1.6758 bmse001145 1 54 1 1.6706 bmse001145 1 55 1 1.6601 bmse001145 1 56 1 1.6447 bmse001145 1 57 1 1.6295 bmse001145 1 58 1 1.5516 bmse001145 1 59 1 1.5326 bmse001145 1 60 1 1.5137 bmse001145 1 61 1 1.4560 bmse001145 1 62 1 1.4446 bmse001145 1 63 1 1.4404 bmse001145 1 64 1 1.4305 bmse001145 1 65 1 1.4253 bmse001145 1 66 1 1.4152 bmse001145 1 67 1 1.4101 bmse001145 1 68 1 1.3950 bmse001145 1 69 1 1.3879 bmse001145 1 70 1 1.3743 bmse001145 1 71 1 1.3596 bmse001145 1 72 1 1.3457 bmse001145 1 73 1 1.3446 bmse001145 1 74 1 1.3365 bmse001145 1 75 1 1.3312 bmse001145 1 76 1 1.3228 bmse001145 1 77 1 1.3187 bmse001145 1 78 1 1.3159 bmse001145 1 79 1 1.3056 bmse001145 1 80 1 1.3032 bmse001145 1 81 1 1.2997 bmse001145 1 82 1 1.2931 bmse001145 1 83 1 1.2849 bmse001145 1 84 1 1.2786 bmse001145 1 85 1 1.2711 bmse001145 1 86 1 1.2668 bmse001145 1 87 1 1.2637 bmse001145 1 88 1 1.2601 bmse001145 1 89 1 1.2545 bmse001145 1 90 1 1.2469 bmse001145 1 91 1 0.9027 bmse001145 1 92 1 0.8890 bmse001145 1 93 1 0.8749 bmse001145 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 bmse001145 _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 bmse001145 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 bmse001145 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001145 3 2 bmse001145 3 3 bmse001145 3 4 bmse001145 3 5 bmse001145 3 6 bmse001145 3 7 bmse001145 3 8 bmse001145 3 9 bmse001145 3 10 bmse001145 3 11 bmse001145 3 12 bmse001145 3 13 bmse001145 3 14 bmse001145 3 15 bmse001145 3 16 bmse001145 3 17 bmse001145 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 2.43 'relative height' bmse001145 3 2 7.03 'relative height' bmse001145 3 3 7.06 'relative height' bmse001145 3 4 5.84 'relative height' bmse001145 3 5 6.52 'relative height' bmse001145 3 6 6.19 'relative height' bmse001145 3 7 5.96 'relative height' bmse001145 3 8 6.12 'relative height' bmse001145 3 9 8.39 'relative height' bmse001145 3 10 5.45 'relative height' bmse001145 3 11 6.13 'relative height' bmse001145 3 12 5.54 'relative height' bmse001145 3 13 5.11 'relative height' bmse001145 3 14 12.81 'relative height' bmse001145 3 15 7.03 'relative height' bmse001145 3 16 4.98 'relative height' bmse001145 3 17 7.22 'relative height' bmse001145 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 1 179.9892 bmse001145 3 2 1 130.4602 bmse001145 3 3 1 129.4846 bmse001145 3 4 1 128.4222 bmse001145 3 5 1 128.3140 bmse001145 3 6 1 128.0250 bmse001145 3 7 1 127.5623 bmse001145 3 8 1 33.9358 bmse001145 3 9 1 31.5222 bmse001145 3 10 1 29.3321 bmse001145 3 11 1 28.9788 bmse001145 3 12 1 27.2157 bmse001145 3 13 1 26.8259 bmse001145 3 14 1 25.6250 bmse001145 3 15 1 24.2669 bmse001145 3 16 1 22.5838 bmse001145 3 17 1 14.0918 bmse001145 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 20 179.9892 1 18 1 1 1 BMET001145 C18 bmse001145 3 14 1 17 25.6250 1 15 1 1 1 BMET001145 C11 bmse001145 3 15 1 8 24.2669 1 6 1 1 1 BMET001145 C16 bmse001145 3 16 1 7 22.5838 1 5 1 1 1 BMET001145 C2 bmse001145 3 17 1 12 14.0918 1 10 1 1 1 BMET001145 C1 bmse001145 3 8 1 10 33.9358 1 8 1 1 1 BMET001145 C17 bmse001145 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 bmse001145 _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 bmse001145 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 bmse001145 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001145 4 2 bmse001145 4 3 bmse001145 4 4 bmse001145 4 5 bmse001145 4 6 bmse001145 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 11.75 'relative height' bmse001145 4 2 11.44 'relative height' bmse001145 4 3 15.00 'relative height' bmse001145 4 4 7.15 'relative height' bmse001145 4 5 7.47 'relative height' bmse001145 4 6 14.60 'relative height' bmse001145 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 1 130.4598 bmse001145 4 2 1 129.4844 bmse001145 4 3 1 128.4219 bmse001145 4 4 1 128.3193 bmse001145 4 5 1 128.0311 bmse001145 4 6 1 127.5619 bmse001145 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 bmse001145 _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 bmse001145 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 bmse001145 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001145 5 2 bmse001145 5 3 bmse001145 5 4 bmse001145 5 5 bmse001145 5 6 bmse001145 5 7 bmse001145 5 8 bmse001145 5 9 bmse001145 5 10 bmse001145 5 11 bmse001145 5 12 bmse001145 5 13 bmse001145 5 14 bmse001145 5 15 bmse001145 5 16 bmse001145 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 11.81 'relative height' bmse001145 5 2 11.23 'relative height' bmse001145 5 3 15.00 'relative height' bmse001145 5 4 6.91 'relative height' bmse001145 5 5 7.41 'relative height' bmse001145 5 6 14.52 'relative height' bmse001145 5 7 -0.98 'relative height' bmse001145 5 8 0.09 'relative height' bmse001145 5 9 -17.44 'relative height' bmse001145 5 10 -8.03 'relative height' bmse001145 5 11 -12.16 'relative height' bmse001145 5 12 -16.99 'relative height' bmse001145 5 13 -38.62 'relative height' bmse001145 5 14 -10.56 'relative height' bmse001145 5 15 -2.23 'relative height' bmse001145 5 16 14.43 'relative height' bmse001145 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 1 130.4612 bmse001145 5 2 1 129.4856 bmse001145 5 3 1 128.4238 bmse001145 5 4 1 128.3214 bmse001145 5 5 1 128.0331 bmse001145 5 6 1 127.5641 bmse001145 5 7 1 33.9504 bmse001145 5 8 1 31.5493 bmse001145 5 9 1 29.3307 bmse001145 5 10 1 28.9770 bmse001145 5 11 1 27.2220 bmse001145 5 12 1 26.8343 bmse001145 5 13 1 25.6235 bmse001145 5 14 1 24.2699 bmse001145 5 15 1 22.5830 bmse001145 5 16 1 14.0936 bmse001145 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 bmse001145 _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 bmse001145 6 2 H 1 'Full H' 12.99 ppm bmse001145 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 bmse001145 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001145 6 2 bmse001145 6 3 bmse001145 6 4 bmse001145 6 5 bmse001145 6 6 bmse001145 6 7 bmse001145 6 8 bmse001145 6 9 bmse001145 6 10 bmse001145 6 11 bmse001145 6 12 bmse001145 6 13 bmse001145 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 151138.78 'absolute height' bmse001145 6 2 324713.68 'absolute height' bmse001145 6 3 524224.78 'absolute height' bmse001145 6 4 567342.23 'absolute height' bmse001145 6 5 897946.53 'absolute height' bmse001145 6 6 539093.04 'absolute height' bmse001145 6 7 395352.47 'absolute height' bmse001145 6 8 217938.06 'absolute height' bmse001145 6 9 345688.72 'absolute height' bmse001145 6 10 223167.68 'absolute height' bmse001145 6 11 418872.63 'absolute height' bmse001145 6 12 238693.24 'absolute height' bmse001145 6 13 378645.77 'absolute height' bmse001145 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 1 130.4841 bmse001145 6 1 2 5.3917 bmse001145 6 2 1 129.5340 bmse001145 6 2 2 5.3728 bmse001145 6 3 1 128.4050 bmse001145 6 3 2 5.3652 bmse001145 6 4 1 33.8085 bmse001145 6 4 2 2.3575 bmse001145 6 5 1 25.6574 bmse001145 6 5 2 2.8060 bmse001145 6 6 1 27.0005 bmse001145 6 6 2 2.0942 bmse001145 6 7 1 27.3247 bmse001145 6 7 2 2.0531 bmse001145 6 8 1 31.5855 bmse001145 6 8 2 1.3001 bmse001145 6 9 1 28.9457 bmse001145 6 9 2 1.4318 bmse001145 6 10 1 29.2699 bmse001145 6 10 2 1.3577 bmse001145 6 11 1 24.1754 bmse001145 6 11 2 1.6540 bmse001145 6 12 1 22.6934 bmse001145 6 12 2 1.3001 bmse001145 6 13 1 14.1255 bmse001145 6 13 2 0.8969 bmse001145 6 stop_ save_