######################### # 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 bmse001214 _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.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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 1 2 . . . bmse001214 1 3 . . . bmse001214 1 4 . . . bmse001214 1 5 . . . bmse001214 1 6 . . . bmse001214 1 7 . . . bmse001214 1 8 . . . bmse001214 1 9 . . . bmse001214 1 10 . . . bmse001214 1 11 . . . bmse001214 1 12 . . . bmse001214 1 13 . . . bmse001214 1 14 . . . bmse001214 1 15 . . . bmse001214 1 16 . . . bmse001214 1 17 . . . bmse001214 1 18 . . . bmse001214 1 19 . . . bmse001214 1 20 . . . bmse001214 1 21 . . . bmse001214 1 22 . . . bmse001214 1 23 . . . bmse001214 1 24 . . . bmse001214 1 25 . . . bmse001214 1 26 . . . bmse001214 1 27 . . . bmse001214 1 28 . . . bmse001214 1 29 . . . bmse001214 1 30 . . . bmse001214 1 31 . . . bmse001214 1 32 . . . bmse001214 1 33 . . . bmse001214 1 34 . . . bmse001214 1 35 . . . bmse001214 1 36 . . . bmse001214 1 37 . . . bmse001214 1 38 . . . bmse001214 1 39 . . . bmse001214 1 40 . . . bmse001214 1 41 . . . bmse001214 1 42 . . . bmse001214 1 43 . . . bmse001214 1 44 . . . bmse001214 1 45 . . . bmse001214 1 46 . . . bmse001214 1 47 . . . bmse001214 1 48 . . . bmse001214 1 49 . . . bmse001214 1 50 . . . bmse001214 1 51 . . . bmse001214 1 52 . . . bmse001214 1 53 . . . bmse001214 1 54 . . . bmse001214 1 55 . . . bmse001214 1 56 . . . bmse001214 1 57 . . . bmse001214 1 58 . . . bmse001214 1 59 . . . bmse001214 1 60 . . . bmse001214 1 61 . . . bmse001214 1 62 . . . bmse001214 1 63 . . . bmse001214 1 64 . . . bmse001214 1 65 . . . bmse001214 1 66 . . . bmse001214 1 67 . . . bmse001214 1 68 . . . bmse001214 1 69 . . . bmse001214 1 70 . . . bmse001214 1 71 . . . bmse001214 1 72 . . . bmse001214 1 73 . . . bmse001214 1 74 . . . bmse001214 1 75 . . . bmse001214 1 76 . . . bmse001214 1 77 . . . bmse001214 1 78 . . . bmse001214 1 79 . . . bmse001214 1 80 . . . bmse001214 1 81 . . . bmse001214 1 82 . . . bmse001214 1 83 . . . bmse001214 1 84 . . . bmse001214 1 85 . . . bmse001214 1 86 . . . bmse001214 1 87 . . . bmse001214 1 88 . . . bmse001214 1 89 . . . bmse001214 1 90 . . . bmse001214 1 91 . . . bmse001214 1 92 . . . bmse001214 1 93 . . . bmse001214 1 94 . . . bmse001214 1 95 . . . bmse001214 1 96 . . . bmse001214 1 97 . . . bmse001214 1 98 . . . bmse001214 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 . 1.45 . 'relative height' bmse001214 1 2 . 7.32 . 'relative height' bmse001214 1 3 . 0.16 . 'relative height' bmse001214 1 4 . 0.17 . 'relative height' bmse001214 1 5 . 0.17 . 'relative height' bmse001214 1 6 . 0.17 . 'relative height' bmse001214 1 7 . 0.16 . 'relative height' bmse001214 1 8 . 0.15 . 'relative height' bmse001214 1 9 . 1.09 . 'relative height' bmse001214 1 10 . 1.14 . 'relative height' bmse001214 1 11 . 1.20 . 'relative height' bmse001214 1 12 . 1.33 . 'relative height' bmse001214 1 13 . 0.60 . 'relative height' bmse001214 1 14 . 0.57 . 'relative height' bmse001214 1 15 . 1.14 . 'relative height' bmse001214 1 16 . 0.75 . 'relative height' bmse001214 1 17 . 0.90 . 'relative height' bmse001214 1 18 . 1.27 . 'relative height' bmse001214 1 19 . 0.57 . 'relative height' bmse001214 1 20 . 0.56 . 'relative height' bmse001214 1 21 . 0.53 . 'relative height' bmse001214 1 22 . 0.96 . 'relative height' bmse001214 1 23 . 10.34 . 'relative height' bmse001214 1 24 . 0.24 . 'relative height' bmse001214 1 25 . 15.00 . 'relative height' bmse001214 1 26 . 0.90 . 'relative height' bmse001214 1 27 . 0.60 . 'relative height' bmse001214 1 28 . 0.59 . 'relative height' bmse001214 1 29 . 0.44 . 'relative height' bmse001214 1 30 . 0.49 . 'relative height' bmse001214 1 31 . 0.50 . 'relative height' bmse001214 1 32 . 0.47 . 'relative height' bmse001214 1 33 . 0.52 . 'relative height' bmse001214 1 34 . 0.68 . 'relative height' bmse001214 1 35 . 0.70 . 'relative height' bmse001214 1 36 . 0.54 . 'relative height' bmse001214 1 37 . 0.17 . 'relative height' bmse001214 1 38 . 0.18 . 'relative height' bmse001214 1 39 . 0.19 . 'relative height' bmse001214 1 40 . 0.20 . 'relative height' bmse001214 1 41 . 0.25 . 'relative height' bmse001214 1 42 . 0.36 . 'relative height' bmse001214 1 43 . 0.42 . 'relative height' bmse001214 1 44 . 0.34 . 'relative height' bmse001214 1 45 . 0.26 . 'relative height' bmse001214 1 46 . 0.33 . 'relative height' bmse001214 1 47 . 0.31 . 'relative height' bmse001214 1 48 . 0.28 . 'relative height' bmse001214 1 49 . 0.26 . 'relative height' bmse001214 1 50 . 0.87 . 'relative height' bmse001214 1 51 . 0.59 . 'relative height' bmse001214 1 52 . 0.42 . 'relative height' bmse001214 1 53 . 0.42 . 'relative height' bmse001214 1 54 . 1.64 . 'relative height' bmse001214 1 55 . 2.06 . 'relative height' bmse001214 1 56 . 1.42 . 'relative height' bmse001214 1 57 . 0.35 . 'relative height' bmse001214 1 58 . 0.39 . 'relative height' bmse001214 1 59 . 0.65 . 'relative height' bmse001214 1 60 . 0.56 . 'relative height' bmse001214 1 61 . 0.33 . 'relative height' bmse001214 1 62 . 0.23 . 'relative height' bmse001214 1 63 . 0.59 . 'relative height' bmse001214 1 64 . 0.42 . 'relative height' bmse001214 1 65 . 0.44 . 'relative height' bmse001214 1 66 . 0.62 . 'relative height' bmse001214 1 67 . 0.40 . 'relative height' bmse001214 1 68 . 0.95 . 'relative height' bmse001214 1 69 . 0.88 . 'relative height' bmse001214 1 70 . 0.31 . 'relative height' bmse001214 1 71 . 0.40 . 'relative height' bmse001214 1 72 . 0.30 . 'relative height' bmse001214 1 73 . 0.27 . 'relative height' bmse001214 1 74 . 0.37 . 'relative height' bmse001214 1 75 . 0.27 . 'relative height' bmse001214 1 76 . 0.20 . 'relative height' bmse001214 1 77 . 0.33 . 'relative height' bmse001214 1 78 . 0.48 . 'relative height' bmse001214 1 79 . 0.42 . 'relative height' bmse001214 1 80 . 0.54 . 'relative height' bmse001214 1 81 . 0.68 . 'relative height' bmse001214 1 82 . 0.63 . 'relative height' bmse001214 1 83 . 0.57 . 'relative height' bmse001214 1 84 . 0.33 . 'relative height' bmse001214 1 85 . 0.24 . 'relative height' bmse001214 1 86 . 0.49 . 'relative height' bmse001214 1 87 . 0.40 . 'relative height' bmse001214 1 88 . 0.12 . 'relative height' bmse001214 1 89 . 0.32 . 'relative height' bmse001214 1 90 . 0.30 . 'relative height' bmse001214 1 91 . 0.46 . 'relative height' bmse001214 1 92 . 0.48 . 'relative height' bmse001214 1 93 . 0.77 . 'relative height' bmse001214 1 94 . 0.41 . 'relative height' bmse001214 1 95 . 0.33 . 'relative height' bmse001214 1 96 . 0.77 . 'relative height' bmse001214 1 97 . 0.76 . 'relative height' bmse001214 1 98 . 0.28 . 'relative height' bmse001214 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 10.7236 . . . . . . . . . . . bmse001214 1 2 . 1 7.3726 . . . . . . . . . . . bmse001214 1 3 . 1 7.3675 . . . . . . . . . . . bmse001214 1 4 . 1 7.3664 . . . . . . . . . . . bmse001214 1 5 . 1 7.3655 . . . . . . . . . . . bmse001214 1 6 . 1 7.3646 . . . . . . . . . . . bmse001214 1 7 . 1 7.3637 . . . . . . . . . . . bmse001214 1 8 . 1 7.3626 . . . . . . . . . . . bmse001214 1 9 . 1 7.3543 . . . . . . . . . . . bmse001214 1 10 . 1 7.3389 . . . . . . . . . . . bmse001214 1 11 . 1 7.2779 . . . . . . . . . . . bmse001214 1 12 . 1 7.2619 . . . . . . . . . . . bmse001214 1 13 . 1 7.0240 . . . . . . . . . . . bmse001214 1 14 . 1 7.0223 . . . . . . . . . . . bmse001214 1 15 . 1 7.0081 . . . . . . . . . . . bmse001214 1 16 . 1 6.9940 . . . . . . . . . . . bmse001214 1 17 . 1 6.9505 . . . . . . . . . . . bmse001214 1 18 . 1 6.9349 . . . . . . . . . . . bmse001214 1 19 . 1 6.9208 . . . . . . . . . . . bmse001214 1 20 . 1 4.9218 . . . . . . . . . . . bmse001214 1 21 . 1 4.9165 . . . . . . . . . . . bmse001214 1 22 . 1 3.9838 . . . . . . . . . . . bmse001214 1 23 . 1 3.5438 . . . . . . . . . . . bmse001214 1 24 . 1 3.3940 . . . . . . . . . . . bmse001214 1 25 . 1 3.3593 . . . . . . . . . . . bmse001214 1 26 . 1 3.3370 . . . . . . . . . . . bmse001214 1 27 . 1 3.2225 . . . . . . . . . . . bmse001214 1 28 . 1 3.2012 . . . . . . . . . . . bmse001214 1 29 . 1 2.9851 . . . . . . . . . . . bmse001214 1 30 . 1 2.9748 . . . . . . . . . . . bmse001214 1 31 . 1 2.9630 . . . . . . . . . . . bmse001214 1 32 . 1 2.9526 . . . . . . . . . . . bmse001214 1 33 . 1 2.8735 . . . . . . . . . . . bmse001214 1 34 . 1 2.8678 . . . . . . . . . . . bmse001214 1 35 . 1 2.8531 . . . . . . . . . . . bmse001214 1 36 . 1 2.8476 . . . . . . . . . . . bmse001214 1 37 . 1 2.7907 . . . . . . . . . . . bmse001214 1 38 . 1 2.7867 . . . . . . . . . . . bmse001214 1 39 . 1 2.7797 . . . . . . . . . . . bmse001214 1 40 . 1 2.7750 . . . . . . . . . . . bmse001214 1 41 . 1 2.7678 . . . . . . . . . . . bmse001214 1 42 . 1 2.7614 . . . . . . . . . . . bmse001214 1 43 . 1 2.7567 . . . . . . . . . . . bmse001214 1 44 . 1 2.7516 . . . . . . . . . . . bmse001214 1 45 . 1 2.7456 . . . . . . . . . . . bmse001214 1 46 . 1 2.7383 . . . . . . . . . . . bmse001214 1 47 . 1 2.7339 . . . . . . . . . . . bmse001214 1 48 . 1 2.7269 . . . . . . . . . . . bmse001214 1 49 . 1 2.7231 . . . . . . . . . . . bmse001214 1 50 . 1 2.7009 . . . . . . . . . . . bmse001214 1 51 . 1 2.5940 . . . . . . . . . . . bmse001214 1 52 . 1 2.5716 . . . . . . . . . . . bmse001214 1 53 . 1 2.5677 . . . . . . . . . . . bmse001214 1 54 . 1 2.5115 . . . . . . . . . . . bmse001214 1 55 . 1 2.5081 . . . . . . . . . . . bmse001214 1 56 . 1 2.5046 . . . . . . . . . . . bmse001214 1 57 . 1 2.4868 . . . . . . . . . . . bmse001214 1 58 . 1 2.4787 . . . . . . . . . . . bmse001214 1 59 . 1 2.4642 . . . . . . . . . . . bmse001214 1 60 . 1 2.4561 . . . . . . . . . . . bmse001214 1 61 . 1 2.4416 . . . . . . . . . . . bmse001214 1 62 . 1 2.4336 . . . . . . . . . . . bmse001214 1 63 . 1 2.1419 . . . . . . . . . . . bmse001214 1 64 . 1 2.1362 . . . . . . . . . . . bmse001214 1 65 . 1 2.1224 . . . . . . . . . . . bmse001214 1 66 . 1 2.1170 . . . . . . . . . . . bmse001214 1 67 . 1 2.0228 . . . . . . . . . . . bmse001214 1 68 . 1 2.0021 . . . . . . . . . . . bmse001214 1 69 . 1 1.9816 . . . . . . . . . . . bmse001214 1 70 . 1 1.9672 . . . . . . . . . . . bmse001214 1 71 . 1 1.9607 . . . . . . . . . . . bmse001214 1 72 . 1 1.9535 . . . . . . . . . . . bmse001214 1 73 . 1 1.9461 . . . . . . . . . . . bmse001214 1 74 . 1 1.9394 . . . . . . . . . . . bmse001214 1 75 . 1 1.9320 . . . . . . . . . . . bmse001214 1 76 . 1 1.9184 . . . . . . . . . . . bmse001214 1 77 . 1 1.9066 . . . . . . . . . . . bmse001214 1 78 . 1 1.8975 . . . . . . . . . . . bmse001214 1 79 . 1 1.8899 . . . . . . . . . . . bmse001214 1 80 . 1 1.8815 . . . . . . . . . . . bmse001214 1 81 . 1 1.8719 . . . . . . . . . . . bmse001214 1 82 . 1 1.8662 . . . . . . . . . . . bmse001214 1 83 . 1 1.8604 . . . . . . . . . . . bmse001214 1 84 . 1 1.8439 . . . . . . . . . . . bmse001214 1 85 . 1 1.8347 . . . . . . . . . . . bmse001214 1 86 . 1 1.6184 . . . . . . . . . . . bmse001214 1 87 . 1 1.5951 . . . . . . . . . . . bmse001214 1 88 . 1 1.3945 . . . . . . . . . . . bmse001214 1 89 . 1 1.3760 . . . . . . . . . . . bmse001214 1 90 . 1 1.3697 . . . . . . . . . . . bmse001214 1 91 . 1 1.3488 . . . . . . . . . . . bmse001214 1 92 . 1 1.3412 . . . . . . . . . . . bmse001214 1 93 . 1 1.3303 . . . . . . . . . . . bmse001214 1 94 . 1 1.3167 . . . . . . . . . . . bmse001214 1 95 . 1 1.2747 . . . . . . . . . . . bmse001214 1 96 . 1 1.2505 . . . . . . . . . . . bmse001214 1 97 . 1 1.2271 . . . . . . . . . . . bmse001214 1 98 . 1 1.2030 . . . . . . . . . . . bmse001214 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 bmse001214 _Spectral_peak_list.ID 2 _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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 2 2 . . . bmse001214 2 3 . . . bmse001214 2 4 . . . bmse001214 2 5 . . . bmse001214 2 6 . . . bmse001214 2 7 . . . bmse001214 2 8 . . . bmse001214 2 9 . . . bmse001214 2 10 . . . bmse001214 2 11 . . . bmse001214 2 12 . . . bmse001214 2 13 . . . bmse001214 2 14 . . . bmse001214 2 15 . . . bmse001214 2 16 . . . bmse001214 2 17 . . . bmse001214 2 18 . . . bmse001214 2 19 . . . bmse001214 2 20 . . . bmse001214 2 21 . . . bmse001214 2 22 . . . bmse001214 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 . 0.24 . 'relative height' bmse001214 2 2 . 0.18 . 'relative height' bmse001214 2 3 . 0.20 . 'relative height' bmse001214 2 4 . 1.54 . 'relative height' bmse001214 2 5 . 0.17 . 'relative height' bmse001214 2 6 . 0.22 . 'relative height' bmse001214 2 7 . 0.19 . 'relative height' bmse001214 2 8 . 0.22 . 'relative height' bmse001214 2 9 . 0.22 . 'relative height' bmse001214 2 10 . 0.22 . 'relative height' bmse001214 2 11 . 0.23 . 'relative height' bmse001214 2 12 . 0.21 . 'relative height' bmse001214 2 13 . 0.25 . 'relative height' bmse001214 2 14 . 0.21 . 'relative height' bmse001214 2 15 . 0.35 . 'relative height' bmse001214 2 16 . 0.25 . 'relative height' bmse001214 2 17 . 0.27 . 'relative height' bmse001214 2 18 . 0.27 . 'relative height' bmse001214 2 19 . 0.21 . 'relative height' bmse001214 2 20 . 0.18 . 'relative height' bmse001214 2 21 . 0.21 . 'relative height' bmse001214 2 22 . 0.20 . 'relative height' bmse001214 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 . 1 172.6461 . . . . . . . . . . . bmse001214 2 2 . 1 135.9202 . . . . . . . . . . . bmse001214 2 3 . 1 135.6996 . . . . . . . . . . . bmse001214 2 4 . 1 128.3555 . . . . . . . . . . . bmse001214 2 5 . 1 126.6247 . . . . . . . . . . . bmse001214 2 6 . 1 120.3137 . . . . . . . . . . . bmse001214 2 7 . 1 118.2992 . . . . . . . . . . . bmse001214 2 8 . 1 117.4558 . . . . . . . . . . . bmse001214 2 9 . 1 110.9702 . . . . . . . . . . . bmse001214 2 10 . 1 106.1907 . . . . . . . . . . . bmse001214 2 11 . 1 65.6042 . . . . . . . . . . . bmse001214 2 12 . 1 61.8101 . . . . . . . . . . . bmse001214 2 13 . 1 60.2621 . . . . . . . . . . . bmse001214 2 14 . 1 52.4331 . . . . . . . . . . . bmse001214 2 15 . 1 51.1197 . . . . . . . . . . . bmse001214 2 16 . 1 50.9808 . . . . . . . . . . . bmse001214 2 17 . 1 36.4205 . . . . . . . . . . . bmse001214 2 18 . 1 34.6761 . . . . . . . . . . . bmse001214 2 19 . 1 33.6362 . . . . . . . . . . . bmse001214 2 20 . 1 28.0979 . . . . . . . . . . . bmse001214 2 21 . 1 23.4137 . . . . . . . . . . . bmse001214 2 22 . 1 21.5986 . . . . . . . . . . . bmse001214 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 . . . . 21 172.6461 1 . 1 1 1 BMET001214 C21 . . . bmse001214 2 5 1 . . . . 13 126.6247 1 . 1 1 1 BMET001214 C13 . . . bmse001214 2 6 1 . . . . 3 120.3137 1 . 1 1 1 BMET001214 C3 . . . bmse001214 2 7 1 . . . . 2 118.2992 1 . 1 1 1 BMET001214 C2 . . . bmse001214 2 8 1 . . . . 4 117.4558 1 . 1 1 1 BMET001214 C4 . . . bmse001214 2 9 1 . . . . 5 110.9702 1 . 1 1 1 BMET001214 C5 . . . bmse001214 2 10 1 . . . . 14 106.1907 1 . 1 1 1 BMET001214 C14 . . . bmse001214 2 11 1 . . . . 18 65.6042 1 . 1 1 1 BMET001214 C18 . . . bmse001214 2 12 1 . . . . 11 61.8101 1 . 1 1 1 BMET001214 C11 . . . bmse001214 2 13 1 . . . . 17 60.2621 1 . 1 1 1 BMET001214 C17 . . . bmse001214 2 14 1 . . . . 9 52.4331 1 . 1 1 1 BMET001214 C9 . . . bmse001214 2 15 1 . . . . 1 51.1197 1 . 1 1 1 BMET001214 C1 . . . bmse001214 2 16 1 . . . . 19 50.9808 1 . 1 1 1 BMET001214 C19 . . . bmse001214 2 17 1 . . . . 15 36.4205 1 . 1 1 1 BMET001214 C15 . . . bmse001214 2 18 1 . . . . 12 34.6761 1 . 1 1 1 BMET001214 C12 . . . bmse001214 2 19 1 . . . . 10 33.6362 1 . 1 1 1 BMET001214 C10 . . . bmse001214 2 20 1 . . . . 7 28.0979 1 . 1 1 1 BMET001214 C7 . . . bmse001214 2 21 1 . . . . 6 23.4137 1 . 1 1 1 BMET001214 C6 . . . bmse001214 2 22 1 . . . . 8 21.5986 1 . 1 1 1 BMET001214 C8 . . . bmse001214 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 bmse001214 _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 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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 3 2 . . . bmse001214 3 3 . . . bmse001214 3 4 . . . bmse001214 3 5 . . . bmse001214 3 6 . . . bmse001214 3 7 . . . bmse001214 3 8 . . . bmse001214 3 9 . . . bmse001214 3 10 . . . bmse001214 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 . 15.00 . 'relative height' bmse001214 3 2 . 7.69 . 'relative height' bmse001214 3 3 . 7.75 . 'relative height' bmse001214 3 4 . 8.50 . 'relative height' bmse001214 3 5 . 7.62 . 'relative height' bmse001214 3 6 . 8.55 . 'relative height' bmse001214 3 7 . 8.28 . 'relative height' bmse001214 3 8 . 8.34 . 'relative height' bmse001214 3 9 . 7.49 . 'relative height' bmse001214 3 10 . 7.51 . 'relative height' bmse001214 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 . 1 128.3569 . . . . . . . . . . . bmse001214 3 2 . 1 120.3153 . . . . . . . . . . . bmse001214 3 3 . 1 118.3000 . . . . . . . . . . . bmse001214 3 4 . 1 117.4564 . . . . . . . . . . . bmse001214 3 5 . 1 110.9709 . . . . . . . . . . . bmse001214 3 6 . 1 65.6059 . . . . . . . . . . . bmse001214 3 7 . 1 60.2644 . . . . . . . . . . . bmse001214 3 8 . 1 50.9811 . . . . . . . . . . . bmse001214 3 9 . 1 36.4221 . . . . . . . . . . . bmse001214 3 10 . 1 34.6778 . . . . . . . . . . . bmse001214 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 bmse001214 _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 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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 4 2 . . . bmse001214 4 3 . . . bmse001214 4 4 . . . bmse001214 4 5 . . . bmse001214 4 6 . . . bmse001214 4 7 . . . bmse001214 4 8 . . . bmse001214 4 9 . . . bmse001214 4 10 . . . bmse001214 4 11 . . . bmse001214 4 12 . . . bmse001214 4 13 . . . bmse001214 4 14 . . . bmse001214 4 15 . . . bmse001214 4 16 . . . bmse001214 4 17 . . . bmse001214 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 . 5.92 . 'relative height' bmse001214 4 2 . 4.59 . 'relative height' bmse001214 4 3 . 4.94 . 'relative height' bmse001214 4 4 . 5.94 . 'relative height' bmse001214 4 5 . 4.50 . 'relative height' bmse001214 4 6 . 6.07 . 'relative height' bmse001214 4 7 . -5.61 . 'relative height' bmse001214 4 8 . 5.38 . 'relative height' bmse001214 4 9 . -5.57 . 'relative height' bmse001214 4 10 . 15.00 . 'relative height' bmse001214 4 11 . 5.98 . 'relative height' bmse001214 4 12 . 4.70 . 'relative height' bmse001214 4 13 . 5.59 . 'relative height' bmse001214 4 14 . -5.26 . 'relative height' bmse001214 4 15 . -4.42 . 'relative height' bmse001214 4 16 . -5.30 . 'relative height' bmse001214 4 17 . -5.03 . 'relative height' bmse001214 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 . 1 128.1050 . . . . . . . . . . . bmse001214 4 2 . 1 120.0651 . . . . . . . . . . . bmse001214 4 3 . 1 118.0503 . . . . . . . . . . . bmse001214 4 4 . 1 117.2061 . . . . . . . . . . . bmse001214 4 5 . 1 110.7208 . . . . . . . . . . . bmse001214 4 6 . 1 65.3557 . . . . . . . . . . . bmse001214 4 7 . 1 61.5613 . . . . . . . . . . . bmse001214 4 8 . 1 60.0144 . . . . . . . . . . . bmse001214 4 9 . 1 52.1838 . . . . . . . . . . . bmse001214 4 10 . 1 50.8736 . . . . . . . . . . . bmse001214 4 11 . 1 50.7300 . . . . . . . . . . . bmse001214 4 12 . 1 36.1704 . . . . . . . . . . . bmse001214 4 13 . 1 34.4268 . . . . . . . . . . . bmse001214 4 14 . 1 33.3866 . . . . . . . . . . . bmse001214 4 15 . 1 27.8496 . . . . . . . . . . . bmse001214 4 16 . 1 23.1648 . . . . . . . . . . . bmse001214 4 17 . 1 21.3495 . . . . . . . . . . . bmse001214 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 bmse001214 _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 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 . . . . . . bmse001214 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 5 2 . . . bmse001214 5 3 . . . bmse001214 5 4 . . . bmse001214 5 5 . . . bmse001214 5 6 . . . bmse001214 5 7 . . . bmse001214 5 8 . . . bmse001214 5 9 . . . bmse001214 5 10 . . . bmse001214 5 11 . . . bmse001214 5 12 . . . bmse001214 5 13 . . . bmse001214 5 14 . . . bmse001214 5 15 . . . bmse001214 5 16 . . . bmse001214 5 17 . . . bmse001214 5 18 . . . bmse001214 5 19 . . . bmse001214 5 20 . . . bmse001214 5 21 . . . bmse001214 5 22 . . . bmse001214 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 . 151687.81 . 'relative height' bmse001214 5 2 . 112169.38 . 'relative height' bmse001214 5 3 . 67476.68 . 'relative height' bmse001214 5 4 . 90154.19 . 'relative height' bmse001214 5 5 . 105253.31 . 'relative height' bmse001214 5 6 . 163060.90 . 'relative height' bmse001214 5 7 . 91770.12 . 'relative height' bmse001214 5 8 . 58440.33 . 'relative height' bmse001214 5 9 . 117462.46 . 'relative height' bmse001214 5 10 . 64772.73 . 'relative height' bmse001214 5 11 . 81761.85 . 'relative height' bmse001214 5 12 . 428752.39 . 'relative height' bmse001214 5 13 . 134714.83 . 'relative height' bmse001214 5 14 . 51733.35 . 'relative height' bmse001214 5 15 . 44923.30 . 'relative height' bmse001214 5 16 . 50833.65 . 'relative height' bmse001214 5 17 . 66022.14 . 'relative height' bmse001214 5 18 . 57986.13 . 'relative height' bmse001214 5 19 . 96011.17 . 'relative height' bmse001214 5 20 . 65543.07 . 'relative height' bmse001214 5 21 . 58039.79 . 'relative height' bmse001214 5 22 . 69157.43 . 'relative height' bmse001214 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 . 1 128.0129 . . . . . . . . . . . bmse001214 5 1 . 2 7.3766 . . . . . . . . . . . bmse001214 5 2 . 1 117.1942 . . . . . . . . . . . bmse001214 5 2 . 2 7.3537 . . . . . . . . . . . bmse001214 5 3 . 1 119.9801 . . . . . . . . . . . bmse001214 5 3 . 2 7.0130 . . . . . . . . . . . bmse001214 5 4 . 1 118.0300 . . . . . . . . . . . bmse001214 5 4 . 2 6.9422 . . . . . . . . . . . bmse001214 5 5 . 1 110.7402 . . . . . . . . . . . bmse001214 5 5 . 2 7.2737 . . . . . . . . . . . bmse001214 5 6 . 1 65.3282 . . . . . . . . . . . bmse001214 5 6 . 2 3.9755 . . . . . . . . . . . bmse001214 5 7 . 1 61.5738 . . . . . . . . . . . bmse001214 5 7 . 2 2.8588 . . . . . . . . . . . bmse001214 5 8 . 1 61.5268 . . . . . . . . . . . bmse001214 5 8 . 2 2.0012 . . . . . . . . . . . bmse001214 5 9 . 1 60.0250 . . . . . . . . . . . bmse001214 5 9 . 2 3.2072 . . . . . . . . . . . bmse001214 5 10 . 1 52.1875 . . . . . . . . . . . bmse001214 5 10 . 2 2.4657 . . . . . . . . . . . bmse001214 5 11 . 1 52.1875 . . . . . . . . . . . bmse001214 5 11 . 2 2.9705 . . . . . . . . . . . bmse001214 5 12 . 1 50.7796 . . . . . . . . . . . bmse001214 5 12 . 2 3.5378 . . . . . . . . . . . bmse001214 5 13 . 1 50.6857 . . . . . . . . . . . bmse001214 5 13 . 2 2.7025 . . . . . . . . . . . bmse001214 5 14 . 1 36.0112 . . . . . . . . . . . bmse001214 5 14 . 2 1.8645 . . . . . . . . . . . bmse001214 5 15 . 1 34.3576 . . . . . . . . . . . bmse001214 5 15 . 2 1.9742 . . . . . . . . . . . bmse001214 5 16 . 1 33.2553 . . . . . . . . . . . bmse001214 5 16 . 2 1.2430 . . . . . . . . . . . bmse001214 5 17 . 1 27.7893 . . . . . . . . . . . bmse001214 5 17 . 2 1.6086 . . . . . . . . . . . bmse001214 5 18 . 1 27.7893 . . . . . . . . . . . bmse001214 5 18 . 2 1.8678 . . . . . . . . . . . bmse001214 5 19 . 1 23.1501 . . . . . . . . . . . bmse001214 5 19 . 2 1.3361 . . . . . . . . . . . bmse001214 5 20 . 1 21.3128 . . . . . . . . . . . bmse001214 5 20 . 2 2.5857 . . . . . . . . . . . bmse001214 5 21 . 1 21.3128 . . . . . . . . . . . bmse001214 5 21 . 2 2.7552 . . . . . . . . . . . bmse001214 5 22 . 1 33.3841 . . . . . . . . . . . bmse001214 5 22 . 2 2.1320 . . . . . . . . . . . bmse001214 5 stop_ save_