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 25318
_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' . . . 25318 1
2 '2D 1H-15N HSQC' . . . 25318 1
3 '2D 1H-13C HSQC' . . . 25318 1
4 'multiple-bond 13C HMBC' . . . 25318 1
5 'multiple-bond 15N HMBC' . . . 25318 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 . . 25318 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 GLU HA H 1 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 4.2901 0.00070422 4.3931 0.00068773 4.3332 0.018346 . . 25318 1
2 . 1 1 3 3 GLU HB2 H 1 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 2.0171 0.00081681 2.0852 0.00076064 4.4012 0.031503 . . 25318 1
3 . 1 1 3 3 GLU CD C 13 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 183.84 0.03192 179.7 0.030958 4.343 0.02064 . . 25318 1
4 . 1 1 3 3 GLU CA C 13 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 56.92 0.017756 55.971 0.016794 4.3789 0.049454 . . 25318 1
5 . 1 1 3 3 GLU CG C 13 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 36.135 0.036476 32.67 0.035872 4.3232 0.028346 . . 25318 1
6 . 1 1 3 3 GLU CB C 13 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 30.042 0.023565 28.532 0.023027 4.3323 0.041912 . . 25318 1
7 . 1 1 3 3 GLU N N 15 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 120.94 0.016989 119.93 0.013118 4.3429 0.038326 . . 25318 1
8 . 1 1 3 3 GLU C C 13 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 177.03 0.030064 176.48 0.031048 4.2537 0.14931 . . 25318 1
9 . 1 1 3 3 GLU HG2 H 1 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 2.2703 0.0016196 2.4938 0.0015658 4.3475 0.019361 . . 25318 1
10 . 1 1 3 3 GLU H H 1 . . . . . 1 1 3 3 GLU HE2 H 1 . . . . . . 8.5705 0.0023251 8.4552 0.0018301 4.3215 0.046678 . . 25318 1
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save_