############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_pH7.4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_pH7.4 _Heteronucl_NOE_list.Entry_ID 16907 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $pH_7.4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 2e6 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 16907 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.791 0.043 . . . . . . . . . . 16907 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.826 0.049 . . . . . . . . . . 16907 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.733 0.033 . . . . . . . . . . 16907 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.727 0.037 . . . . . . . . . . 16907 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.707 0.031 . . . . . . . . . . 16907 1 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.769 0.040 . . . . . . . . . . 16907 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.681 0.035 . . . . . . . . . . 16907 1 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.710 0.035 . . . . . . . . . . 16907 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.703 0.031 . . . . . . . . . . 16907 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.713 0.041 . . . . . . . . . . 16907 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.695 0.035 . . . . . . . . . . 16907 1 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.770 0.052 . . . . . . . . . . 16907 1 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.699 0.029 . . . . . . . . . . 16907 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.719 0.033 . . . . . . . . . . 16907 1 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.770 0.044 . . . . . . . . . . 16907 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.783 0.037 . . . . . . . . . . 16907 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.721 0.028 . . . . . . . . . . 16907 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.740 0.038 . . . . . . . . . . 16907 1 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.732 0.036 . . . . . . . . . . 16907 1 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.735 0.038 . . . . . . . . . . 16907 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.642 0.029 . . . . . . . . . . 16907 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_pH4.0 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_pH4.0 _Heteronucl_NOE_list.Entry_ID 16907 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $pH_7.4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 3e6 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 '2D 1H-15N HSQC' . . . 16907 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 LEU N N 15 . 1 1 2 2 LEU H H 1 0.68 0.036 . . . . . . . . . . 16907 2 2 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.713 0.022 . . . . . . . . . . 16907 2 3 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.727 0.029 . . . . . . . . . . 16907 2 4 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.766 0.022 . . . . . . . . . . 16907 2 5 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.722 0.021 . . . . . . . . . . 16907 2 6 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.696 0.019 . . . . . . . . . . 16907 2 7 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.754 0.024 . . . . . . . . . . 16907 2 8 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.745 0.024 . . . . . . . . . . 16907 2 9 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.702 0.023 . . . . . . . . . . 16907 2 10 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.749 0.028 . . . . . . . . . . 16907 2 11 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.635 0.024 . . . . . . . . . . 16907 2 12 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.648 0.021 . . . . . . . . . . 16907 2 13 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.697 0.036 . . . . . . . . . . 16907 2 14 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.712 0.026 . . . . . . . . . . 16907 2 15 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.654 0.025 . . . . . . . . . . 16907 2 16 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.725 0.039 . . . . . . . . . . 16907 2 17 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.780 0.023 . . . . . . . . . . 16907 2 18 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.720 0.017 . . . . . . . . . . 16907 2 19 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.664 0.022 . . . . . . . . . . 16907 2 20 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.708 0.026 . . . . . . . . . . 16907 2 21 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.755 0.031 . . . . . . . . . . 16907 2 22 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.560 0.013 . . . . . . . . . . 16907 2 stop_ save_