############################## # 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 25121 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $pH_7.4_Sample_condition _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _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' . . . 25121 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 GLY N N 15 . 1 1 3 3 GLY H H 1 0.688235294 0.012738511 . . 1 3 GLY N 1 3 GLY H 25121 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.639573618 0.012747050 . . 1 4 GLY N 1 4 GLY H 25121 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.712643678 0.009423380 . . 1 5 ALA N 1 5 ALA H 25121 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.684782609 0.010578250 . . 1 6 ILE N 1 6 ILE H 25121 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.694052419 0.009845687 . . 1 7 ALA N 1 7 ALA H 25121 1 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.695269527 0.010749762 . . 1 8 GLY N 1 8 GLY H 25121 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.548938135 0.008551965 . . 1 9 PHE N 1 9 PHE H 25121 1 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.660835214 0.010884155 . . 1 10 ILE N 1 10 ILE H 25121 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.650275966 0.009638768 . . 1 11 GLU N 1 11 GLU H 25121 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.619565217 0.010321993 . . 1 12 GLY N 1 12 GLY H 25121 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.675186368 0.010326085 . . 1 13 GLY N 1 13 GLY H 25121 1 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.689425982 0.011781806 . . 1 14 TRP N 1 14 TRP H 25121 1 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.661572052 0.008424500 . . 1 15 THR N 1 15 THR H 25121 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.715605749 0.010112382 . . 1 16 GLY N 1 16 GLY H 25121 1 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.671700224 0.010831411 . . 1 17 MET N 1 17 MET H 25121 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.663282572 0.010888111 . . 1 18 ILE N 1 18 ILE H 25121 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.701713756 0.009074619 . . 1 19 ASP N 1 19 ASP H 25121 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.684514436 0.010216257 . . 1 20 GLY N 1 20 GLY H 25121 1 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.648111332 0.009539993 . . 1 21 TRP N 1 21 TRP H 25121 1 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.664647577 0.010635808 . . 1 22 TYR N 1 22 TYR H 25121 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.487461505 0.007986476 . . 1 23 GLY N 1 23 GLY H 25121 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_pH4.2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_pH4.2 _Heteronucl_NOE_list.Entry_ID 25121 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $pH_4.2_Sample_condition _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _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 2 '2D 1H-15N HSQC' . . . 25121 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 3 3 GLY N N 15 . 1 1 3 3 GLY H H 1 0.6882 0.00954 . . 1 3 GLY N 1 3 GLY H 25121 2 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.6396 0.00973 . . 1 4 GLY N 1 4 GLY H 25121 2 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.7126 0.00699 . . 1 5 ALA N 1 5 ALA H 25121 2 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.6848 0.00793 . . 1 6 ILE N 1 6 ILE H 25121 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.6941 0.00736 . . 1 7 ALA N 1 7 ALA H 25121 2 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.6953 0.00803 . . 1 8 GLY N 1 8 GLY H 25121 2 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.5489 0.00674 . . 1 9 PHE N 1 9 PHE H 25121 2 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.6608 0.00824 . . 1 10 ILE N 1 10 ILE H 25121 2 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.6503 0.00733 . . 1 11 GLU N 1 11 GLU H 25121 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.6196 0.00793 . . 1 12 GLY N 1 12 GLY H 25121 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.6752 0.00777 . . 1 13 GLY N 1 13 GLY H 25121 2 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.6894 0.00882 . . 1 14 TRP N 1 14 TRP H 25121 2 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.6616 0.00638 . . 1 15 THR N 1 15 THR H 25121 2 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.7156 0.00749 . . 1 16 GLY N 1 16 GLY H 25121 2 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.6717 0.00817 . . 1 17 MET N 1 17 MET H 25121 2 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.6633 0.00823 . . 1 18 ILE N 1 18 ILE H 25121 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.7017 0.00676 . . 1 19 ASP N 1 19 ASP H 25121 2 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.6845 0.00766 . . 1 20 GLY N 1 20 GLY H 25121 2 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.6481 0.00726 . . 1 21 TRP N 1 21 TRP H 25121 2 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.6646 0.00804 . . 1 22 TYR N 1 22 TYR H 25121 2 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.4875 0.00642 . . 1 23 GLY N 1 23 GLY H 25121 2 stop_ save_