######################### # 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 bmse001300 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'Full H' . . 16.03 ppm . . . . . . bmse001300 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001300 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001300 1 2 . . . bmse001300 1 3 . . . bmse001300 1 4 . . . bmse001300 1 5 . . . bmse001300 1 6 . . . bmse001300 1 7 . . . bmse001300 1 8 . . . bmse001300 1 9 . . . bmse001300 1 10 . . . bmse001300 1 11 . . . bmse001300 1 12 . . . bmse001300 1 13 . . . bmse001300 1 14 . . . bmse001300 1 15 . . . bmse001300 1 16 . . . bmse001300 1 17 . . . bmse001300 1 18 . . . bmse001300 1 19 . . . bmse001300 1 20 . . . bmse001300 1 21 . . . bmse001300 1 22 . . . bmse001300 1 23 . . . bmse001300 1 24 . . . bmse001300 1 25 . . . bmse001300 1 26 . . . bmse001300 1 27 . . . bmse001300 1 28 . . . bmse001300 1 29 . . . bmse001300 1 30 . . . bmse001300 1 31 . . . bmse001300 1 32 . . . bmse001300 1 33 . . . bmse001300 1 34 . . . bmse001300 1 35 . . . bmse001300 1 36 . . . bmse001300 1 37 . . . bmse001300 1 38 . . . bmse001300 1 39 . . . bmse001300 1 40 . . . bmse001300 1 41 . . . bmse001300 1 42 . . . bmse001300 1 43 . . . bmse001300 1 44 . . . bmse001300 1 45 . . . bmse001300 1 46 . . . bmse001300 1 47 . . . bmse001300 1 48 . . . bmse001300 1 49 . . . bmse001300 1 50 . . . bmse001300 1 51 . . . bmse001300 1 52 . . . bmse001300 1 53 . . . bmse001300 1 54 . . . bmse001300 1 55 . . . bmse001300 1 56 . . . bmse001300 1 57 . . . bmse001300 1 58 . . . bmse001300 1 59 . . . bmse001300 1 60 . . . bmse001300 1 61 . . . bmse001300 1 62 . . . bmse001300 1 63 . . . bmse001300 1 64 . . . bmse001300 1 65 . . . bmse001300 1 66 . . . bmse001300 1 67 . . . bmse001300 1 68 . . . bmse001300 1 69 . . . bmse001300 1 70 . . . bmse001300 1 71 . . . bmse001300 1 72 . . . bmse001300 1 73 . . . bmse001300 1 74 . . . bmse001300 1 75 . . . bmse001300 1 76 . . . bmse001300 1 77 . . . bmse001300 1 78 . . . bmse001300 1 79 . . . bmse001300 1 80 . . . bmse001300 1 81 . . . bmse001300 1 82 . . . bmse001300 1 83 . . . bmse001300 1 84 . . . bmse001300 1 85 . . . bmse001300 1 86 . . . bmse001300 1 87 . . . bmse001300 1 88 . . . bmse001300 1 89 . . . bmse001300 1 90 . . . bmse001300 1 91 . . . bmse001300 1 92 . . . bmse001300 1 93 . . . bmse001300 1 94 . . . bmse001300 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _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' bmse001300 1 2 . 0.27 . 'relative height' bmse001300 1 3 . 0.30 . 'relative height' bmse001300 1 4 . 0.33 . 'relative height' bmse001300 1 5 . 0.34 . 'relative height' bmse001300 1 6 . 0.24 . 'relative height' bmse001300 1 7 . 0.22 . 'relative height' bmse001300 1 8 . 0.24 . 'relative height' bmse001300 1 9 . 0.23 . 'relative height' bmse001300 1 10 . 1.37 . 'relative height' bmse001300 1 11 . 0.01 . 'relative height' bmse001300 1 12 . 0.01 . 'relative height' bmse001300 1 13 . 0.03 . 'relative height' bmse001300 1 14 . 2.01 . 'relative height' bmse001300 1 15 . 2.75 . 'relative height' bmse001300 1 16 . 5.13 . 'relative height' bmse001300 1 17 . 0.12 . 'relative height' bmse001300 1 18 . 0.05 . 'relative height' bmse001300 1 19 . 0.05 . 'relative height' bmse001300 1 20 . 3.01 . 'relative height' bmse001300 1 21 . 0.09 . 'relative height' bmse001300 1 22 . 0.07 . 'relative height' bmse001300 1 23 . 0.14 . 'relative height' bmse001300 1 24 . 0.16 . 'relative height' bmse001300 1 25 . 0.17 . 'relative height' bmse001300 1 26 . 0.14 . 'relative height' bmse001300 1 27 . 0.03 . 'relative height' bmse001300 1 28 . 0.04 . 'relative height' bmse001300 1 29 . 0.22 . 'relative height' bmse001300 1 30 . 2.13 . 'relative height' bmse001300 1 31 . 0.06 . 'relative height' bmse001300 1 32 . 0.05 . 'relative height' bmse001300 1 33 . 0.09 . 'relative height' bmse001300 1 34 . 0.10 . 'relative height' bmse001300 1 35 . 0.07 . 'relative height' bmse001300 1 36 . 0.08 . 'relative height' bmse001300 1 37 . 0.09 . 'relative height' bmse001300 1 38 . 0.11 . 'relative height' bmse001300 1 39 . 0.10 . 'relative height' bmse001300 1 40 . 0.20 . 'relative height' bmse001300 1 41 . 0.19 . 'relative height' bmse001300 1 42 . 0.15 . 'relative height' bmse001300 1 43 . 0.16 . 'relative height' bmse001300 1 44 . 0.18 . 'relative height' bmse001300 1 45 . 0.17 . 'relative height' bmse001300 1 46 . 0.15 . 'relative height' bmse001300 1 47 . 0.16 . 'relative height' bmse001300 1 48 . 0.15 . 'relative height' bmse001300 1 49 . 0.18 . 'relative height' bmse001300 1 50 . 0.08 . 'relative height' bmse001300 1 51 . 0.07 . 'relative height' bmse001300 1 52 . 0.16 . 'relative height' bmse001300 1 53 . 0.16 . 'relative height' bmse001300 1 54 . 0.20 . 'relative height' bmse001300 1 55 . 0.25 . 'relative height' bmse001300 1 56 . 0.13 . 'relative height' bmse001300 1 57 . 0.13 . 'relative height' bmse001300 1 58 . 0.05 . 'relative height' bmse001300 1 59 . 0.03 . 'relative height' bmse001300 1 60 . 0.11 . 'relative height' bmse001300 1 61 . 0.18 . 'relative height' bmse001300 1 62 . 0.19 . 'relative height' bmse001300 1 63 . 0.19 . 'relative height' bmse001300 1 64 . 0.33 . 'relative height' bmse001300 1 65 . 0.45 . 'relative height' bmse001300 1 66 . 0.36 . 'relative height' bmse001300 1 67 . 0.22 . 'relative height' bmse001300 1 68 . 0.05 . 'relative height' bmse001300 1 69 . 0.06 . 'relative height' bmse001300 1 70 . 0.10 . 'relative height' bmse001300 1 71 . 0.09 . 'relative height' bmse001300 1 72 . 0.06 . 'relative height' bmse001300 1 73 . 0.05 . 'relative height' bmse001300 1 74 . 0.06 . 'relative height' bmse001300 1 75 . 0.06 . 'relative height' bmse001300 1 76 . 0.06 . 'relative height' bmse001300 1 77 . 0.07 . 'relative height' bmse001300 1 78 . 0.07 . 'relative height' bmse001300 1 79 . 0.05 . 'relative height' bmse001300 1 80 . 0.09 . 'relative height' bmse001300 1 81 . 0.07 . 'relative height' bmse001300 1 82 . 0.11 . 'relative height' bmse001300 1 83 . 0.10 . 'relative height' bmse001300 1 84 . 0.04 . 'relative height' bmse001300 1 85 . 0.07 . 'relative height' bmse001300 1 86 . 0.08 . 'relative height' bmse001300 1 87 . 0.07 . 'relative height' bmse001300 1 88 . 0.06 . 'relative height' bmse001300 1 89 . 0.06 . 'relative height' bmse001300 1 90 . 0.06 . 'relative height' bmse001300 1 91 . 0.04 . 'relative height' bmse001300 1 92 . 0.09 . 'relative height' bmse001300 1 93 . 0.09 . 'relative height' bmse001300 1 94 . 0.04 . 'relative height' bmse001300 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 10.5840 . . . . . . . . . . . bmse001300 1 2 . 1 7.2333 . . . . . . . . . . . bmse001300 1 3 . 1 7.2162 . . . . . . . . . . . bmse001300 1 4 . 1 6.8101 . . . . . . . . . . . bmse001300 1 5 . 1 6.8056 . . . . . . . . . . . bmse001300 1 6 . 1 6.6200 . . . . . . . . . . . bmse001300 1 7 . 1 6.6154 . . . . . . . . . . . bmse001300 1 8 . 1 6.6029 . . . . . . . . . . . bmse001300 1 9 . 1 6.5983 . . . . . . . . . . . bmse001300 1 10 . 1 6.5125 . . . . . . . . . . . bmse001300 1 11 . 1 3.9019 . . . . . . . . . . . bmse001300 1 12 . 1 3.8858 . . . . . . . . . . . bmse001300 1 13 . 1 3.8453 . . . . . . . . . . . bmse001300 1 14 . 1 3.7572 . . . . . . . . . . . bmse001300 1 15 . 1 3.7448 . . . . . . . . . . . bmse001300 1 16 . 1 3.7034 . . . . . . . . . . . bmse001300 1 17 . 1 3.6885 . . . . . . . . . . . bmse001300 1 18 . 1 3.6079 . . . . . . . . . . . bmse001300 1 19 . 1 3.5990 . . . . . . . . . . . bmse001300 1 20 . 1 3.5753 . . . . . . . . . . . bmse001300 1 21 . 1 3.5683 . . . . . . . . . . . bmse001300 1 22 . 1 3.5565 . . . . . . . . . . . bmse001300 1 23 . 1 3.5392 . . . . . . . . . . . bmse001300 1 24 . 1 3.5203 . . . . . . . . . . . bmse001300 1 25 . 1 3.5172 . . . . . . . . . . . bmse001300 1 26 . 1 3.4983 . . . . . . . . . . . bmse001300 1 27 . 1 3.4465 . . . . . . . . . . . bmse001300 1 28 . 1 3.4290 . . . . . . . . . . . bmse001300 1 29 . 1 3.3338 . . . . . . . . . . . bmse001300 1 30 . 1 3.3073 . . . . . . . . . . . bmse001300 1 31 . 1 3.2387 . . . . . . . . . . . bmse001300 1 32 . 1 3.2219 . . . . . . . . . . . bmse001300 1 33 . 1 3.0527 . . . . . . . . . . . bmse001300 1 34 . 1 3.0302 . . . . . . . . . . . bmse001300 1 35 . 1 2.8573 . . . . . . . . . . . bmse001300 1 36 . 1 2.8458 . . . . . . . . . . . bmse001300 1 37 . 1 2.8354 . . . . . . . . . . . bmse001300 1 38 . 1 2.8237 . . . . . . . . . . . bmse001300 1 39 . 1 2.8112 . . . . . . . . . . . bmse001300 1 40 . 1 2.7956 . . . . . . . . . . . bmse001300 1 41 . 1 2.7867 . . . . . . . . . . . bmse001300 1 42 . 1 2.7802 . . . . . . . . . . . bmse001300 1 43 . 1 2.7724 . . . . . . . . . . . bmse001300 1 44 . 1 2.7690 . . . . . . . . . . . bmse001300 1 45 . 1 2.7589 . . . . . . . . . . . bmse001300 1 46 . 1 2.7464 . . . . . . . . . . . bmse001300 1 47 . 1 2.7366 . . . . . . . . . . . bmse001300 1 48 . 1 2.7265 . . . . . . . . . . . bmse001300 1 49 . 1 2.7059 . . . . . . . . . . . bmse001300 1 50 . 1 2.6725 . . . . . . . . . . . bmse001300 1 51 . 1 2.6596 . . . . . . . . . . . bmse001300 1 52 . 1 2.6409 . . . . . . . . . . . bmse001300 1 53 . 1 2.6358 . . . . . . . . . . . bmse001300 1 54 . 1 2.6260 . . . . . . . . . . . bmse001300 1 55 . 1 2.6199 . . . . . . . . . . . bmse001300 1 56 . 1 2.6123 . . . . . . . . . . . bmse001300 1 57 . 1 2.6044 . . . . . . . . . . . bmse001300 1 58 . 1 2.5884 . . . . . . . . . . . bmse001300 1 59 . 1 2.5726 . . . . . . . . . . . bmse001300 1 60 . 1 2.5472 . . . . . . . . . . . bmse001300 1 61 . 1 2.5240 . . . . . . . . . . . bmse001300 1 62 . 1 2.5182 . . . . . . . . . . . bmse001300 1 63 . 1 2.5109 . . . . . . . . . . . bmse001300 1 64 . 1 2.5072 . . . . . . . . . . . bmse001300 1 65 . 1 2.5035 . . . . . . . . . . . bmse001300 1 66 . 1 2.4999 . . . . . . . . . . . bmse001300 1 67 . 1 2.4962 . . . . . . . . . . . bmse001300 1 68 . 1 2.4046 . . . . . . . . . . . bmse001300 1 69 . 1 2.3967 . . . . . . . . . . . bmse001300 1 70 . 1 2.3821 . . . . . . . . . . . bmse001300 1 71 . 1 2.3739 . . . . . . . . . . . bmse001300 1 72 . 1 2.3595 . . . . . . . . . . . bmse001300 1 73 . 1 2.3516 . . . . . . . . . . . bmse001300 1 74 . 1 2.2148 . . . . . . . . . . . bmse001300 1 75 . 1 2.2062 . . . . . . . . . . . bmse001300 1 76 . 1 2.1976 . . . . . . . . . . . bmse001300 1 77 . 1 2.1891 . . . . . . . . . . . bmse001300 1 78 . 1 2.1804 . . . . . . . . . . . bmse001300 1 79 . 1 2.0364 . . . . . . . . . . . bmse001300 1 80 . 1 2.0103 . . . . . . . . . . . bmse001300 1 81 . 1 1.9791 . . . . . . . . . . . bmse001300 1 82 . 1 1.9548 . . . . . . . . . . . bmse001300 1 83 . 1 1.9302 . . . . . . . . . . . bmse001300 1 84 . 1 1.9049 . . . . . . . . . . . bmse001300 1 85 . 1 1.8660 . . . . . . . . . . . bmse001300 1 86 . 1 1.8399 . . . . . . . . . . . bmse001300 1 87 . 1 1.6814 . . . . . . . . . . . bmse001300 1 88 . 1 1.6727 . . . . . . . . . . . bmse001300 1 89 . 1 1.6639 . . . . . . . . . . . bmse001300 1 90 . 1 1.6559 . . . . . . . . . . . bmse001300 1 91 . 1 1.4455 . . . . . . . . . . . bmse001300 1 92 . 1 1.4197 . . . . . . . . . . . bmse001300 1 93 . 1 1.3961 . . . . . . . . . . . bmse001300 1 94 . 1 1.3705 . . . . . . . . . . . bmse001300 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 bmse001300 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 248.61 ppm . . . . . . bmse001300 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001300 2 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001300 2 2 . . . bmse001300 2 3 . . . bmse001300 2 4 . . . bmse001300 2 5 . . . bmse001300 2 6 . . . bmse001300 2 7 . . . bmse001300 2 8 . . . bmse001300 2 9 . . . bmse001300 2 10 . . . bmse001300 2 11 . . . bmse001300 2 12 . . . bmse001300 2 13 . . . bmse001300 2 14 . . . bmse001300 2 15 . . . bmse001300 2 16 . . . bmse001300 2 17 . . . bmse001300 2 18 . . . bmse001300 2 19 . . . bmse001300 2 20 . . . bmse001300 2 21 . . . bmse001300 2 22 . . . bmse001300 2 23 . . . bmse001300 2 24 . . . bmse001300 2 25 . . . bmse001300 2 26 . . . bmse001300 2 27 . . . bmse001300 2 28 . . . bmse001300 2 29 . . . bmse001300 2 30 . . . bmse001300 2 31 . . . bmse001300 2 32 . . . bmse001300 2 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.13 . 'relative height' bmse001300 2 2 . 0.13 . 'relative height' bmse001300 2 3 . 0.13 . 'relative height' bmse001300 2 4 . 0.31 . 'relative height' bmse001300 2 5 . 0.12 . 'relative height' bmse001300 2 6 . 0.12 . 'relative height' bmse001300 2 7 . 0.11 . 'relative height' bmse001300 2 8 . 0.11 . 'relative height' bmse001300 2 9 . 0.11 . 'relative height' bmse001300 2 10 . 0.10 . 'relative height' bmse001300 2 11 . 0.11 . 'relative height' bmse001300 2 12 . 0.12 . 'relative height' bmse001300 2 13 . 0.36 . 'relative height' bmse001300 2 14 . 0.11 . 'relative height' bmse001300 2 15 . 0.12 . 'relative height' bmse001300 2 16 . 0.12 . 'relative height' bmse001300 2 17 . 0.17 . 'relative height' bmse001300 2 18 . 0.26 . 'relative height' bmse001300 2 19 . 0.13 . 'relative height' bmse001300 2 20 . 0.08 . 'relative height' bmse001300 2 21 . 0.56 . 'relative height' bmse001300 2 22 . 0.25 . 'relative height' bmse001300 2 23 . 0.08 . 'relative height' bmse001300 2 24 . 0.16 . 'relative height' bmse001300 2 25 . 0.12 . 'relative height' bmse001300 2 26 . 0.11 . 'relative height' bmse001300 2 27 . 0.14 . 'relative height' bmse001300 2 28 . 0.12 . 'relative height' bmse001300 2 29 . 0.14 . 'relative height' bmse001300 2 30 . 0.09 . 'relative height' bmse001300 2 31 . 0.08 . 'relative height' bmse001300 2 32 . 0.09 . 'relative height' bmse001300 2 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 171.8636 . . . . . . . . . . . bmse001300 2 2 . 1 171.7189 . . . . . . . . . . . bmse001300 2 3 . 1 155.0257 . . . . . . . . . . . bmse001300 2 4 . 1 152.6815 . . . . . . . . . . . bmse001300 2 5 . 1 136.7166 . . . . . . . . . . . bmse001300 2 6 . 1 136.2098 . . . . . . . . . . . bmse001300 2 7 . 1 135.6724 . . . . . . . . . . . bmse001300 2 8 . 1 133.8229 . . . . . . . . . . . bmse001300 2 9 . 1 121.0567 . . . . . . . . . . . bmse001300 2 10 . 1 118.0288 . . . . . . . . . . . bmse001300 2 11 . 1 107.8968 . . . . . . . . . . . bmse001300 2 12 . 1 106.2085 . . . . . . . . . . . bmse001300 2 13 . 1 105.4334 . . . . . . . . . . . bmse001300 2 14 . 1 94.5966 . . . . . . . . . . . bmse001300 2 15 . 1 77.3776 . . . . . . . . . . . bmse001300 2 16 . 1 76.7191 . . . . . . . . . . . bmse001300 2 17 . 1 60.0884 . . . . . . . . . . . bmse001300 2 18 . 1 59.9078 . . . . . . . . . . . bmse001300 2 19 . 1 59.8676 . . . . . . . . . . . bmse001300 2 20 . 1 59.2407 . . . . . . . . . . . bmse001300 2 21 . 1 55.7009 . . . . . . . . . . . bmse001300 2 22 . 1 55.1036 . . . . . . . . . . . bmse001300 2 23 . 1 52.5922 . . . . . . . . . . . bmse001300 2 24 . 1 51.7310 . . . . . . . . . . . bmse001300 2 25 . 1 51.0793 . . . . . . . . . . . bmse001300 2 26 . 1 37.1065 . . . . . . . . . . . bmse001300 2 27 . 1 35.6691 . . . . . . . . . . . bmse001300 2 28 . 1 33.6326 . . . . . . . . . . . bmse001300 2 29 . 1 30.7283 . . . . . . . . . . . bmse001300 2 30 . 1 30.3002 . . . . . . . . . . . bmse001300 2 31 . 1 27.2181 . . . . . . . . . . . bmse001300 2 32 . 1 21.6322 . . . . . . . . . . . bmse001300 2 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Contribution_fractional_val _Assigned_spectral_transition.Peak_ID _Assigned_spectral_transition.Set_ID _Assigned_spectral_transition.Magnetization_linkage_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.Figure_of_merit _Assigned_spectral_transition.Resonance_ID _Assigned_spectral_transition.Details _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 1 1 . . . . 35 171.8636 1 . 1 1 1 BMET001300 C35 . . . bmse001300 2 2 1 . . . . 30 171.7189 1 . 1 1 1 BMET001300 C30 . . . bmse001300 2 3 1 . . . . 21 155.0257 1 . 1 1 1 BMET001300 C21 . . . bmse001300 2 4 1 . . . . 27 152.6815 1 . 1 1 1 BMET001300 C27 . . . bmse001300 2 5 1 . . . . 25 136.7166 1 . 1 1 1 BMET001300 C25 . . . bmse001300 2 6 1 . . . . 19 136.2098 1 . 1 1 1 BMET001300 C19 . . . bmse001300 2 7 1 . . . . 33 135.6724 1 . 1 1 1 BMET001300 C33 . . . bmse001300 2 8 1 . . . . 32 133.8229 1 . 1 1 1 BMET001300 C32 . . . bmse001300 2 9 1 . . . . 22 121.0567 1 . 1 1 1 BMET001300 C22 . . . bmse001300 2 10 1 . . . . 9 118.0288 1 . 1 1 1 BMET001300 C9 . . . bmse001300 2 11 1 . . . . 8 107.8968 1 . 1 1 1 BMET001300 C8 . . . bmse001300 2 12 1 . . . . 23 106.2085 1 . 1 1 1 BMET001300 C23 . . . bmse001300 2 13 1 . . . . 13 105.4334 1 . 1 1 1 BMET001300 C13 . . . bmse001300 2 14 1 . . . . 16 94.5966 1 . 1 1 1 BMET001300 C16 . . . bmse001300 2 15 1 . . . . 34 77.3776 1 . 1 1 1 BMET001300 C34 . . . bmse001300 2 16 1 . . . . 29 76.7191 1 . 1 1 1 BMET001300 C29 . . . bmse001300 2 17 1 . . . . 5 60.0884 1 . 1 1 1 BMET001300 C5 . . . bmse001300 2 18 1 . . . . 4 59.9078 1 . 1 1 1 BMET001300 C4 . . . bmse001300 2 19 1 . . . . 26 59.8676 1 . 1 1 1 BMET001300 C26 . . . bmse001300 2 20 1 . . . . 18 59.2407 1 . 1 1 1 BMET001300 C18 . . . bmse001300 2 21 1 . . . . 2 55.7009 1 . 1 1 1 BMET001300 C2 . . . bmse001300 2 22 1 . . . . 1 55.1036 1 . 1 1 1 BMET001300 C1 . . . bmse001300 2 23 1 . . . . 12 52.5922 1 . 1 1 1 BMET001300 C12 . . . bmse001300 2 24 1 . . . . 6 51.7310 1 . 1 1 1 BMET001300 C6 . . . bmse001300 2 25 1 . . . . 31 51.0793 1 . 1 1 1 BMET001300 C31 . . . bmse001300 2 26 1 . . . . 20 37.1065 1 . 1 1 1 BMET001300 C20 . . . bmse001300 2 27 1 . . . . 10 35.6691 1 . 1 1 1 BMET001300 C10 . . . bmse001300 2 28 1 . . . . 24 33.6326 1 . 1 1 1 BMET001300 C24 . . . bmse001300 2 29 1 . . . . 7 30.7283 1 . 1 1 1 BMET001300 C7 . . . bmse001300 2 30 1 . . . . 15 30.3002 1 . 1 1 1 BMET001300 C15 . . . bmse001300 2 31 1 . . . . 17 27.2181 1 . 1 1 1 BMET001300 C17 . . . bmse001300 2 32 1 . . . . 11 21.6322 1 . 1 1 1 BMET001300 C11 . . . bmse001300 2 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 bmse001300 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001300 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001300 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001300 3 2 . . . bmse001300 3 3 . . . bmse001300 3 4 . . . bmse001300 3 5 . . . bmse001300 3 6 . . . bmse001300 3 7 . . . bmse001300 3 8 . . . bmse001300 3 9 . . . bmse001300 3 10 . . . bmse001300 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 5.59 . 'relative height' bmse001300 3 2 . 5.73 . 'relative height' bmse001300 3 3 . 15.00 . 'relative height' bmse001300 3 4 . 6.29 . 'relative height' bmse001300 3 5 . 6.42 . 'relative height' bmse001300 3 6 . 6.11 . 'relative height' bmse001300 3 7 . 6.30 . 'relative height' bmse001300 3 8 . 6.41 . 'relative height' bmse001300 3 9 . 5.59 . 'relative height' bmse001300 3 10 . 5.43 . 'relative height' bmse001300 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 117.9740 . . . . . . . . . . . bmse001300 3 2 . 1 107.8405 . . . . . . . . . . . bmse001300 3 3 . 1 105.3785 . . . . . . . . . . . bmse001300 3 4 . 1 94.5405 . . . . . . . . . . . bmse001300 3 5 . 1 77.3207 . . . . . . . . . . . bmse001300 3 6 . 1 76.6627 . . . . . . . . . . . bmse001300 3 7 . 1 59.8107 . . . . . . . . . . . bmse001300 3 8 . 1 51.0225 . . . . . . . . . . . bmse001300 3 9 . 1 37.0503 . . . . . . . . . . . bmse001300 3 10 . 1 33.5761 . . . . . . . . . . . bmse001300 3 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 bmse001300 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001300 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001300 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001300 4 2 . . . bmse001300 4 3 . . . bmse001300 4 4 . . . bmse001300 4 5 . . . bmse001300 4 6 . . . bmse001300 4 7 . . . bmse001300 4 8 . . . bmse001300 4 9 . . . bmse001300 4 10 . . . bmse001300 4 11 . . . bmse001300 4 12 . . . bmse001300 4 13 . . . bmse001300 4 14 . . . bmse001300 4 15 . . . bmse001300 4 16 . . . bmse001300 4 17 . . . bmse001300 4 18 . . . bmse001300 4 19 . . . bmse001300 4 20 . . . bmse001300 4 21 . . . bmse001300 4 22 . . . bmse001300 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 1.98 . 'relative height' bmse001300 4 2 . 2.09 . 'relative height' bmse001300 4 3 . 5.12 . 'relative height' bmse001300 4 4 . 2.31 . 'relative height' bmse001300 4 5 . 2.57 . 'relative height' bmse001300 4 6 . 2.38 . 'relative height' bmse001300 4 7 . 8.06 . 'relative height' bmse001300 4 8 . 10.52 . 'relative height' bmse001300 4 9 . 2.61 . 'relative height' bmse001300 4 10 . -1.95 . 'relative height' bmse001300 4 11 . 15.00 . 'relative height' bmse001300 4 12 . 12.59 . 'relative height' bmse001300 4 13 . -2.07 . 'relative height' bmse001300 4 14 . 7.66 . 'relative height' bmse001300 4 15 . 2.58 . 'relative height' bmse001300 4 16 . 1.94 . 'relative height' bmse001300 4 17 . -3.08 . 'relative height' bmse001300 4 18 . 2.04 . 'relative height' bmse001300 4 19 . -3.39 . 'relative height' bmse001300 4 20 . -1.78 . 'relative height' bmse001300 4 21 . -1.92 . 'relative height' bmse001300 4 22 . -1.93 . 'relative height' bmse001300 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 117.9778 . . . . . . . . . . . bmse001300 4 2 . 1 107.8454 . . . . . . . . . . . bmse001300 4 3 . 1 105.3827 . . . . . . . . . . . bmse001300 4 4 . 1 94.5470 . . . . . . . . . . . bmse001300 4 5 . 1 77.3273 . . . . . . . . . . . bmse001300 4 6 . 1 76.6695 . . . . . . . . . . . bmse001300 4 7 . 1 60.0413 . . . . . . . . . . . bmse001300 4 8 . 1 59.8610 . . . . . . . . . . . bmse001300 4 9 . 1 59.8179 . . . . . . . . . . . bmse001300 4 10 . 1 59.1919 . . . . . . . . . . . bmse001300 4 11 . 1 55.6485 . . . . . . . . . . . bmse001300 4 12 . 1 55.0554 . . . . . . . . . . . bmse001300 4 13 . 1 52.5425 . . . . . . . . . . . bmse001300 4 14 . 1 51.6808 . . . . . . . . . . . bmse001300 4 15 . 1 51.0299 . . . . . . . . . . . bmse001300 4 16 . 1 37.0584 . . . . . . . . . . . bmse001300 4 17 . 1 35.6205 . . . . . . . . . . . bmse001300 4 18 . 1 33.5843 . . . . . . . . . . . bmse001300 4 19 . 1 30.6798 . . . . . . . . . . . bmse001300 4 20 . 1 30.2522 . . . . . . . . . . . bmse001300 4 21 . 1 27.1691 . . . . . . . . . . . bmse001300 4 22 . 1 21.5843 . . . . . . . . . . . bmse001300 4 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 bmse001300 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 165.00 ppm . . . . . . bmse001300 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001300 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001300 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001300 5 2 . . . bmse001300 5 3 . . . bmse001300 5 4 . . . bmse001300 5 5 . . . bmse001300 5 6 . . . bmse001300 5 7 . . . bmse001300 5 8 . . . bmse001300 5 9 . . . bmse001300 5 10 . . . bmse001300 5 11 . . . bmse001300 5 12 . . . bmse001300 5 13 . . . bmse001300 5 14 . . . bmse001300 5 15 . . . bmse001300 5 16 . . . bmse001300 5 17 . . . bmse001300 5 18 . . . bmse001300 5 19 . . . bmse001300 5 20 . . . bmse001300 5 21 . . . bmse001300 5 22 . . . bmse001300 5 23 . . . bmse001300 5 24 . . . bmse001300 5 25 . . . bmse001300 5 26 . . . bmse001300 5 27 . . . bmse001300 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 77075.04 . 'relative height' bmse001300 5 2 . 64605.33 . 'relative height' bmse001300 5 3 . 154304.14 . 'relative height' bmse001300 5 4 . 55089.18 . 'relative height' bmse001300 5 5 . 57506.91 . 'relative height' bmse001300 5 6 . 65258.96 . 'relative height' bmse001300 5 7 . 249427.54 . 'relative height' bmse001300 5 8 . 221078.93 . 'relative height' bmse001300 5 9 . 70755.62 . 'relative height' bmse001300 5 10 . 63087.07 . 'relative height' bmse001300 5 11 . 69499.91 . 'relative height' bmse001300 5 12 . 489667.69 . 'relative height' bmse001300 5 13 . 281221.61 . 'relative height' bmse001300 5 14 . 250037.91 . 'relative height' bmse001300 5 15 . 52764.66 . 'relative height' bmse001300 5 16 . 62787.24 . 'relative height' bmse001300 5 17 . 58553.87 . 'relative height' bmse001300 5 18 . 43178.40 . 'relative height' bmse001300 5 19 . 106738.86 . 'relative height' bmse001300 5 20 . 34554.86 . 'relative height' bmse001300 5 21 . 97350.91 . 'relative height' bmse001300 5 22 . 41565.51 . 'relative height' bmse001300 5 23 . 25615.42 . 'relative height' bmse001300 5 24 . 24908.10 . 'relative height' bmse001300 5 25 . 43662.21 . 'relative height' bmse001300 5 26 . 41617.41 . 'relative height' bmse001300 5 27 . 33558.14 . 'relative height' bmse001300 5 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 117.7521 . . . . . . . . . . . bmse001300 5 1 . 2 7.2246 . . . . . . . . . . . bmse001300 5 2 . 1 107.7046 . . . . . . . . . . . bmse001300 5 2 . 2 6.6156 . . . . . . . . . . . bmse001300 5 3 . 1 105.2592 . . . . . . . . . . . bmse001300 5 3 . 2 6.5181 . . . . . . . . . . . bmse001300 5 4 . 1 94.5206 . . . . . . . . . . . bmse001300 5 4 . 2 6.8127 . . . . . . . . . . . bmse001300 5 5 . 1 77.2308 . . . . . . . . . . . bmse001300 5 5 . 2 3.5238 . . . . . . . . . . . bmse001300 5 6 . 1 76.5278 . . . . . . . . . . . bmse001300 5 6 . 2 4.7385 . . . . . . . . . . . bmse001300 5 7 . 1 59.8073 . . . . . . . . . . . bmse001300 5 7 . 2 3.3127 . . . . . . . . . . . bmse001300 5 8 . 1 59.6725 . . . . . . . . . . . bmse001300 5 8 . 2 3.5772 . . . . . . . . . . . bmse001300 5 9 . 1 59.5827 . . . . . . . . . . . bmse001300 5 9 . 2 3.0442 . . . . . . . . . . . bmse001300 5 10 . 1 58.9536 . . . . . . . . . . . bmse001300 5 10 . 2 2.5151 . . . . . . . . . . . bmse001300 5 11 . 1 58.9087 . . . . . . . . . . . bmse001300 5 11 . 2 2.7204 . . . . . . . . . . . bmse001300 5 12 . 1 55.4937 . . . . . . . . . . . bmse001300 5 12 . 2 3.7036 . . . . . . . . . . . bmse001300 5 13 . 1 54.8646 . . . . . . . . . . . bmse001300 5 13 . 2 3.7391 . . . . . . . . . . . bmse001300 5 14 . 1 51.4945 . . . . . . . . . . . bmse001300 5 14 . 2 3.7628 . . . . . . . . . . . bmse001300 5 15 . 1 52.3483 . . . . . . . . . . . bmse001300 5 15 . 2 2.3809 . . . . . . . . . . . bmse001300 5 16 . 1 52.3033 . . . . . . . . . . . bmse001300 5 16 . 2 2.8428 . . . . . . . . . . . bmse001300 5 17 . 1 50.8205 . . . . . . . . . . . bmse001300 5 17 . 2 2.7599 . . . . . . . . . . . bmse001300 5 18 . 1 36.7981 . . . . . . . . . . . bmse001300 5 18 . 2 2.2069 . . . . . . . . . . . bmse001300 5 19 . 1 35.3572 . . . . . . . . . . . bmse001300 5 19 . 2 2.6241 . . . . . . . . . . . bmse001300 5 20 . 1 33.4175 . . . . . . . . . . . bmse001300 5 20 . 2 2.0144 . . . . . . . . . . . bmse001300 5 21 . 1 30.4803 . . . . . . . . . . . bmse001300 5 21 . 2 2.7916 . . . . . . . . . . . bmse001300 5 22 . 1 30.0370 . . . . . . . . . . . bmse001300 5 22 . 2 1.6757 . . . . . . . . . . . bmse001300 5 23 . 1 29.9816 . . . . . . . . . . . bmse001300 5 23 . 2 1.9502 . . . . . . . . . . . bmse001300 5 24 . 1 26.9889 . . . . . . . . . . . bmse001300 5 24 . 2 1.4119 . . . . . . . . . . . bmse001300 5 25 . 1 27.0998 . . . . . . . . . . . bmse001300 5 25 . 2 1.8540 . . . . . . . . . . . bmse001300 5 26 . 1 21.4471 . . . . . . . . . . . bmse001300 5 26 . 2 2.5421 . . . . . . . . . . . bmse001300 5 27 . 1 21.4471 . . . . . . . . . . . bmse001300 5 27 . 2 2.6989 . . . . . . . . . . . bmse001300 5 stop_ save_