Content for NMR-STAR saveframe, "pH_titration_list_1"
save_pH_titration_list_1
_PH_titration_list.Sf_category pH_titration
_PH_titration_list.Sf_framecode pH_titration_list_1
_PH_titration_list.Entry_ID 25320
_PH_titration_list.ID 1
_PH_titration_list.Sample_condition_list_ID 1
_PH_titration_list.Sample_condition_list_label $sample_conditions_1
_PH_titration_list.Expt_observed_param 'chemical shift'
_PH_titration_list.Details .
_PH_titration_list.Text_data_format .
_PH_titration_list.Text_data .
loop_
_PH_titration_experiment.Experiment_ID
_PH_titration_experiment.Experiment_name
_PH_titration_experiment.Sample_ID
_PH_titration_experiment.Sample_label
_PH_titration_experiment.Sample_state
_PH_titration_experiment.Entry_ID
_PH_titration_experiment.PH_titration_list_ID
1 '1D 1H-NMR' . . . 25320 1
2 '2D 1H-15N HSQC' . . . 25320 1
3 '2D 1H-13C HSQC' . . . 25320 1
4 'multiple-bond 13C HMBC' . . . 25320 1
5 'multiple-bond 15N HMBC' . . . 25320 1
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_PH_titration_software.Software_ID
_PH_titration_software.Software_label
_PH_titration_software.Method_ID
_PH_titration_software.Method_label
_PH_titration_software.Entry_ID
_PH_titration_software.PH_titration_list_ID
1 $TOPSPIN . . 25320 1
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_PH_titr_result.ID
_PH_titr_result.Atm_obs_assembly_atom_ID
_PH_titr_result.Atm_obs_entity_assembly_ID
_PH_titr_result.Atm_obs_entity_ID
_PH_titr_result.Atm_obs_comp_index_ID
_PH_titr_result.Atm_obs_seq_ID
_PH_titr_result.Atm_obs_comp_ID
_PH_titr_result.Atm_obs_atom_ID
_PH_titr_result.Atm_obs_atom_type
_PH_titr_result.Atm_obs_atom_isotope_number
_PH_titr_result.Atm_obs_auth_entity_assembly_ID
_PH_titr_result.Atm_obs_auth_seq_ID
_PH_titr_result.Atm_obs_auth_comp_ID
_PH_titr_result.Atm_obs_auth_atom_ID
_PH_titr_result.Atm_titr_assembly_atom_ID
_PH_titr_result.Atm_titr_entity_assembly_ID
_PH_titr_result.Atm_titr_entity_ID
_PH_titr_result.Atm_titr_comp_index_ID
_PH_titr_result.Atm_titr_seq_ID
_PH_titr_result.Atm_titr_comp_ID
_PH_titr_result.Atm_titr_atom_ID
_PH_titr_result.Atm_titr_atom_type
_PH_titr_result.Atm_titr_atom_isotope_number
_PH_titr_result.Atm_titr_auth_entity_assembly_ID
_PH_titr_result.Atm_titr_auth_seq_ID
_PH_titr_result.Atm_titr_auth_comp_ID
_PH_titr_result.Atm_titr_auth_atom_ID
_PH_titr_result.Hill_coeff_val
_PH_titr_result.Hill_coeff_val_fit_err
_PH_titr_result.High_PH_param_fit_val
_PH_titr_result.High_PH_param_fit_val_err
_PH_titr_result.Low_PH_param_fit_val
_PH_titr_result.Low_PH_param_fit_val_err
_PH_titr_result.PKa_val
_PH_titr_result.PKa_val_fit_err
_PH_titr_result.PHmid_val
_PH_titr_result.PHmid_val_fit_err
_PH_titr_result.Entry_ID
_PH_titr_result.PH_titration_list_ID
1 . 1 1 3 3 CYS HA H 1 . . . . . 1 1 3 3 CYS HG H 1 . . . . . . 4.2791 0.0016747 4.5595 0.00139 8.501 0.014895 . . 25320 1
2 . 1 1 3 3 CYS HB2 H 1 . . . . . 1 1 3 3 CYS HG H 1 . . . . . . 2.8814 0.00048024 2.9655 0.00039769 8.5048 0.014213 . . 25320 1
3 . 1 1 3 3 CYS CB C 13 . . . . . 1 1 3 3 CYS HG H 1 . . . . . . 29.651 0.016829 27.994 0.011719 8.4722 0.02203 . . 25320 1
4 . 1 1 3 3 CYS CA C 13 . . . . . 1 1 3 3 CYS HG H 1 . . . . . . 60.569 0.013233 58.463 0.0090943 8.4928 0.013526 . . 25320 1
5 . 1 1 3 3 CYS C C 13 . . . . . 1 1 3 3 CYS HG H 1 . . . . . . 176.94 0.048476 175.01 0.040594 8.4862 0.062702 . . 25320 1
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save_