######################### # 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 bmse001164 _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 bmse001164 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 bmse001164 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001164 1 2 bmse001164 1 3 bmse001164 1 4 bmse001164 1 5 bmse001164 1 6 bmse001164 1 7 bmse001164 1 8 bmse001164 1 9 bmse001164 1 10 bmse001164 1 11 bmse001164 1 12 bmse001164 1 13 bmse001164 1 14 bmse001164 1 15 bmse001164 1 16 bmse001164 1 17 bmse001164 1 18 bmse001164 1 19 bmse001164 1 20 bmse001164 1 21 bmse001164 1 22 bmse001164 1 23 bmse001164 1 24 bmse001164 1 25 bmse001164 1 26 bmse001164 1 27 bmse001164 1 28 bmse001164 1 29 bmse001164 1 30 bmse001164 1 31 bmse001164 1 32 bmse001164 1 33 bmse001164 1 34 bmse001164 1 35 bmse001164 1 36 bmse001164 1 37 bmse001164 1 38 bmse001164 1 39 bmse001164 1 40 bmse001164 1 41 bmse001164 1 42 bmse001164 1 43 bmse001164 1 44 bmse001164 1 45 bmse001164 1 46 bmse001164 1 47 bmse001164 1 48 bmse001164 1 49 bmse001164 1 50 bmse001164 1 51 bmse001164 1 52 bmse001164 1 53 bmse001164 1 54 bmse001164 1 55 bmse001164 1 56 bmse001164 1 57 bmse001164 1 58 bmse001164 1 59 bmse001164 1 60 bmse001164 1 61 bmse001164 1 62 bmse001164 1 63 bmse001164 1 64 bmse001164 1 65 bmse001164 1 66 bmse001164 1 67 bmse001164 1 68 bmse001164 1 69 bmse001164 1 70 bmse001164 1 71 bmse001164 1 72 bmse001164 1 73 bmse001164 1 74 bmse001164 1 75 bmse001164 1 76 bmse001164 1 77 bmse001164 1 78 bmse001164 1 79 bmse001164 1 80 bmse001164 1 81 bmse001164 1 82 bmse001164 1 83 bmse001164 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 4942.96 'relative height' bmse001164 1 2 1506.89 'relative height' bmse001164 1 3 1686.90 'relative height' bmse001164 1 4 2560.46 'relative height' bmse001164 1 5 2642.71 'relative height' bmse001164 1 6 1363.74 'relative height' bmse001164 1 7 1297.57 'relative height' bmse001164 1 8 1267.47 'relative height' bmse001164 1 9 1217.04 'relative height' bmse001164 1 10 17.44 'relative height' bmse001164 1 11 302.69 'relative height' bmse001164 1 12 339.74 'relative height' bmse001164 1 13 351.04 'relative height' bmse001164 1 14 731.92 'relative height' bmse001164 1 15 601.56 'relative height' bmse001164 1 16 667.56 'relative height' bmse001164 1 17 544.06 'relative height' bmse001164 1 18 337.31 'relative height' bmse001164 1 19 284.84 'relative height' bmse001164 1 20 13840.25 'relative height' bmse001164 1 21 1043.53 'relative height' bmse001164 1 22 1843.40 'relative height' bmse001164 1 23 1004.72 'relative height' bmse001164 1 24 55.97 'relative height' bmse001164 1 25 55.71 'relative height' bmse001164 1 26 918.57 'relative height' bmse001164 1 27 1366.04 'relative height' bmse001164 1 28 1078.38 'relative height' bmse001164 1 29 1330.59 'relative height' bmse001164 1 30 1120.03 'relative height' bmse001164 1 31 398.53 'relative height' bmse001164 1 32 418.22 'relative height' bmse001164 1 33 1140.16 'relative height' bmse001164 1 34 1119.92 'relative height' bmse001164 1 35 471.57 'relative height' bmse001164 1 36 1330.32 'relative height' bmse001164 1 37 549.38 'relative height' bmse001164 1 38 1410.97 'relative height' bmse001164 1 39 872.99 'relative height' bmse001164 1 40 878.26 'relative height' bmse001164 1 41 696.02 'relative height' bmse001164 1 42 465.08 'relative height' bmse001164 1 43 513.84 'relative height' bmse001164 1 44 768.83 'relative height' bmse001164 1 45 207.41 'relative height' bmse001164 1 46 208.37 'relative height' bmse001164 1 47 446.09 'relative height' bmse001164 1 48 589.09 'relative height' bmse001164 1 49 624.74 'relative height' bmse001164 1 50 412.05 'relative height' bmse001164 1 51 249.36 'relative height' bmse001164 1 52 221.49 'relative height' bmse001164 1 53 252.24 'relative height' bmse001164 1 54 310.29 'relative height' bmse001164 1 55 680.20 'relative height' bmse001164 1 56 675.91 'relative height' bmse001164 1 57 689.62 'relative height' bmse001164 1 58 625.67 'relative height' bmse001164 1 59 706.93 'relative height' bmse001164 1 60 629.35 'relative height' bmse001164 1 61 513.46 'relative height' bmse001164 1 62 582.82 'relative height' bmse001164 1 63 187.91 'relative height' bmse001164 1 64 275.16 'relative height' bmse001164 1 65 156.55 'relative height' bmse001164 1 66 173.31 'relative height' bmse001164 1 67 479.89 'relative height' bmse001164 1 68 465.51 'relative height' bmse001164 1 69 589.42 'relative height' bmse001164 1 70 794.45 'relative height' bmse001164 1 71 980.18 'relative height' bmse001164 1 72 613.52 'relative height' bmse001164 1 73 574.57 'relative height' bmse001164 1 74 658.30 'relative height' bmse001164 1 75 392.70 'relative height' bmse001164 1 76 447.95 'relative height' bmse001164 1 77 619.06 'relative height' bmse001164 1 78 605.61 'relative height' bmse001164 1 79 280.30 'relative height' bmse001164 1 80 232.38 'relative height' bmse001164 1 81 57.81 'relative height' bmse001164 1 82 11653.28 'relative height' bmse001164 1 83 60.56 'relative height' bmse001164 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 9.6163 bmse001164 1 2 1 7.3053 bmse001164 1 3 1 7.2883 bmse001164 1 4 1 7.2686 bmse001164 1 5 1 7.2629 bmse001164 1 6 1 7.0074 bmse001164 1 7 1 7.0017 bmse001164 1 8 1 6.9904 bmse001164 1 9 1 6.9847 bmse001164 1 10 1 4.7477 bmse001164 1 11 1 4.6958 bmse001164 1 12 1 4.6857 bmse001164 1 13 1 3.8593 bmse001164 1 14 1 3.8485 bmse001164 1 15 1 3.8409 bmse001164 1 16 1 3.8357 bmse001164 1 17 1 3.8308 bmse001164 1 18 1 3.8246 bmse001164 1 19 1 3.8199 bmse001164 1 20 1 3.3710 bmse001164 1 21 1 3.3127 bmse001164 1 22 1 3.3022 bmse001164 1 23 1 3.2917 bmse001164 1 24 1 3.1766 bmse001164 1 25 1 3.1661 bmse001164 1 26 1 2.5114 bmse001164 1 27 1 2.5078 bmse001164 1 28 1 2.5045 bmse001164 1 29 1 2.4768 bmse001164 1 30 1 2.4705 bmse001164 1 31 1 2.4616 bmse001164 1 32 1 2.4522 bmse001164 1 33 1 2.4437 bmse001164 1 34 1 2.4368 bmse001164 1 35 1 2.3167 bmse001164 1 36 1 2.3045 bmse001164 1 37 1 2.2894 bmse001164 1 38 1 2.2782 bmse001164 1 39 1 2.2712 bmse001164 1 40 1 2.2446 bmse001164 1 41 1 1.8252 bmse001164 1 42 1 1.8189 bmse001164 1 43 1 1.8059 bmse001164 1 44 1 1.8005 bmse001164 1 45 1 1.7785 bmse001164 1 46 1 1.7717 bmse001164 1 47 1 1.7573 bmse001164 1 48 1 1.7509 bmse001164 1 49 1 1.7305 bmse001164 1 50 1 1.7244 bmse001164 1 51 1 1.7098 bmse001164 1 52 1 1.7031 bmse001164 1 53 1 1.6831 bmse001164 1 54 1 1.6648 bmse001164 1 55 1 1.6582 bmse001164 1 56 1 1.6400 bmse001164 1 57 1 1.6335 bmse001164 1 58 1 1.6168 bmse001164 1 59 1 1.6096 bmse001164 1 60 1 1.5974 bmse001164 1 61 1 1.5892 bmse001164 1 62 1 1.5753 bmse001164 1 63 1 1.5644 bmse001164 1 64 1 1.5507 bmse001164 1 65 1 1.4522 bmse001164 1 66 1 1.4446 bmse001164 1 67 1 1.4256 bmse001164 1 68 1 1.4182 bmse001164 1 69 1 1.4093 bmse001164 1 70 1 1.4021 bmse001164 1 71 1 1.3929 bmse001164 1 72 1 1.3848 bmse001164 1 73 1 1.3812 bmse001164 1 74 1 1.3706 bmse001164 1 75 1 1.3123 bmse001164 1 76 1 1.3052 bmse001164 1 77 1 1.2867 bmse001164 1 78 1 1.2793 bmse001164 1 79 1 1.2609 bmse001164 1 80 1 1.2536 bmse001164 1 81 1 0.7759 bmse001164 1 82 1 0.6526 bmse001164 1 83 1 0.5257 bmse001164 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 bmse001164 _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 bmse001164 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 bmse001164 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001164 3 2 bmse001164 3 3 bmse001164 3 4 bmse001164 3 5 bmse001164 3 6 bmse001164 3 7 bmse001164 3 8 bmse001164 3 9 bmse001164 3 10 bmse001164 3 11 bmse001164 3 12 bmse001164 3 13 bmse001164 3 14 bmse001164 3 15 bmse001164 3 16 bmse001164 3 17 bmse001164 3 18 bmse001164 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 0.96 'relative height' bmse001164 3 2 0.72 'relative height' bmse001164 3 3 0.64 'relative height' bmse001164 3 4 1.08 'relative height' bmse001164 3 5 0.95 'relative height' bmse001164 3 6 1.01 'relative height' bmse001164 3 7 1.11 'relative height' bmse001164 3 8 1.32 'relative height' bmse001164 3 9 1.13 'relative height' bmse001164 3 10 1.25 'relative height' bmse001164 3 11 0.84 'relative height' bmse001164 3 12 2.17 'relative height' bmse001164 3 13 1.18 'relative height' bmse001164 3 14 0.38 'relative height' bmse001164 3 15 0.81 'relative height' bmse001164 3 16 0.74 'relative height' bmse001164 3 17 0.80 'relative height' bmse001164 3 18 2.19 'relative height' bmse001164 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 1 197.0900 bmse001164 3 2 1 155.5246 bmse001164 3 3 1 137.7696 bmse001164 3 4 1 132.8318 bmse001164 3 5 1 126.6033 bmse001164 3 6 1 121.1110 bmse001164 3 7 1 111.6002 bmse001164 3 8 1 88.3676 bmse001164 3 9 1 76.3219 bmse001164 3 10 1 46.8432 bmse001164 3 11 1 43.3034 bmse001164 3 12 1 42.9342 bmse001164 3 13 1 41.9071 bmse001164 3 14 1 39.2781 bmse001164 3 15 1 36.0552 bmse001164 3 16 1 33.5366 bmse001164 3 17 1 24.6590 bmse001164 3 18 1 12.0771 bmse001164 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 17 197.0900 1 13 1 1 1 BMET001164 C15 bmse001164 3 10 1 6 46.8432 1 2 1 1 1 BMET001164 C14 bmse001164 3 11 1 15 43.3034 1 11 1 1 1 BMET001164 C7 bmse001164 3 12 1 5 42.9342 1 1 1 1 1 BMET001164 C18 bmse001164 3 13 1 9 41.9071 1 5 1 1 1 BMET001164 C11 bmse001164 3 14 1 7 39.2781 1 3 1 1 1 BMET001164 C12 bmse001164 3 15 1 10 36.0552 1 6 1 1 1 BMET001164 C5 bmse001164 3 16 1 11 33.5366 1 7 1 1 1 BMET001164 C8 bmse001164 3 17 1 13 24.6590 1 9 1 1 1 BMET001164 C4 bmse001164 3 18 1 14 12.0771 1 10 1 1 1 BMET001164 C1 bmse001164 3 2 1 22 155.5246 1 18 1 1 1 BMET001164 C9 bmse001164 3 3 1 16 137.7696 1 12 1 1 1 BMET001164 C10 bmse001164 3 4 1 18 132.8318 1 14 1 1 1 BMET001164 C13 bmse001164 3 5 1 20 126.6033 1 16 1 1 1 BMET001164 C6 bmse001164 3 6 1 19 121.1110 1 15 1 1 1 BMET001164 C3 bmse001164 3 7 1 21 111.6002 1 17 1 1 1 BMET001164 C2 bmse001164 3 8 1 8 88.3676 1 4 1 1 1 BMET001164 C17 bmse001164 3 9 1 12 76.3219 1 8 1 1 1 BMET001164 C16 bmse001164 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 bmse001164 _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 bmse001164 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 bmse001164 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001164 4 2 bmse001164 4 3 bmse001164 4 4 bmse001164 4 5 bmse001164 4 6 bmse001164 4 7 bmse001164 4 8 bmse001164 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 10.05 'relative height' bmse001164 4 2 10.68 'relative height' bmse001164 4 3 13.55 'relative height' bmse001164 4 4 12.96 'relative height' bmse001164 4 5 12.39 'relative height' bmse001164 4 6 12.67 'relative height' bmse001164 4 7 15.00 'relative height' bmse001164 4 8 10.67 'relative height' bmse001164 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 1 126.6056 bmse001164 4 2 1 121.1121 bmse001164 4 3 1 111.6002 bmse001164 4 4 1 88.3683 bmse001164 4 5 1 76.3255 bmse001164 4 6 1 46.8432 bmse001164 4 7 1 41.9073 bmse001164 4 8 1 39.2208 bmse001164 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 bmse001164 _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 bmse001164 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 bmse001164 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001164 5 2 bmse001164 5 3 bmse001164 5 4 bmse001164 5 5 bmse001164 5 6 bmse001164 5 7 bmse001164 5 8 bmse001164 5 9 bmse001164 5 10 bmse001164 5 11 bmse001164 5 12 bmse001164 5 13 bmse001164 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 10.46 'relative height' bmse001164 5 2 11.19 'relative height' bmse001164 5 3 13.92 'relative height' bmse001164 5 4 13.70 'relative height' bmse001164 5 5 12.36 'relative height' bmse001164 5 6 12.64 'relative height' bmse001164 5 7 -8.45 'relative height' bmse001164 5 8 15.00 'relative height' bmse001164 5 9 10.85 'relative height' bmse001164 5 10 -7.44 'relative height' bmse001164 5 11 -8.14 'relative height' bmse001164 5 12 -7.14 'relative height' bmse001164 5 13 14.90 'relative height' bmse001164 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 1 126.6035 bmse001164 5 2 1 121.1105 bmse001164 5 3 1 111.5991 bmse001164 5 4 1 88.3669 bmse001164 5 5 1 76.3242 bmse001164 5 6 1 46.8423 bmse001164 5 7 1 43.3030 bmse001164 5 8 1 41.9064 bmse001164 5 9 1 39.2198 bmse001164 5 10 1 36.0548 bmse001164 5 11 1 33.5373 bmse001164 5 12 1 24.6590 bmse001164 5 13 1 12.0760 bmse001164 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 bmse001164 _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 bmse001164 6 2 H 1 'Full H' 12.99 ppm bmse001164 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 bmse001164 6 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse001164 6 2 bmse001164 6 3 bmse001164 6 4 bmse001164 6 5 bmse001164 6 6 bmse001164 6 7 bmse001164 6 8 bmse001164 6 9 bmse001164 6 10 bmse001164 6 11 bmse001164 6 12 bmse001164 6 13 bmse001164 6 14 bmse001164 6 15 bmse001164 6 16 bmse001164 6 17 bmse001164 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 146475.42 'absolute height' bmse001164 6 2 130100.47 'absolute height' bmse001164 6 3 193438.47 'absolute height' bmse001164 6 4 171240.94 'absolute height' bmse001164 6 5 133580.09 'absolute height' bmse001164 6 6 53574.43 'absolute height' bmse001164 6 7 76788.40 'absolute height' bmse001164 6 8 82632.68 'absolute height' bmse001164 6 9 69960.82 'absolute height' bmse001164 6 10 68151.73 'absolute height' bmse001164 6 11 86227.38 'absolute height' bmse001164 6 12 61390.18 'absolute height' bmse001164 6 13 52653.43 'absolute height' bmse001164 6 14 88257.96 'absolute height' bmse001164 6 15 70027.88 'absolute height' bmse001164 6 16 34654.72 'absolute height' bmse001164 6 17 338925.51 'absolute height' bmse001164 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 1 126.5071 bmse001164 6 1 2 7.2946 bmse001164 6 2 1 120.9765 bmse001164 6 2 2 6.9940 bmse001164 6 3 1 111.5636 bmse001164 6 3 2 7.2658 bmse001164 6 4 1 88.2964 bmse001164 6 4 2 3.2976 bmse001164 6 5 1 76.3250 bmse001164 6 5 2 3.8322 bmse001164 6 6 1 46.8452 bmse001164 6 6 2 1.5876 bmse001164 6 7 1 43.2261 bmse001164 6 7 2 2.2720 bmse001164 6 8 1 43.2770 bmse001164 6 8 2 2.4376 bmse001164 6 9 1 41.7988 bmse001164 6 9 2 2.4751 bmse001164 6 10 1 39.1991 bmse001164 6 10 2 1.7407 bmse001164 6 11 1 36.1407 bmse001164 6 11 2 1.7970 bmse001164 6 12 1 36.1916 bmse001164 6 12 2 1.2751 bmse001164 6 13 1 33.4900 bmse001164 6 13 2 1.6376 bmse001164 6 14 1 33.4390 bmse001164 6 14 2 1.3907 bmse001164 6 15 1 24.6715 bmse001164 6 15 2 2.2970 bmse001164 6 16 1 24.7225 bmse001164 6 16 2 1.3969 bmse001164 6 17 1 12.1360 bmse001164 6 17 2 0.6493 bmse001164 6 stop_ save_