############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51591 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name '(P3-7)2 HetNOE 600' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 16 '1H-15N heteronoe' . . . 51591 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51591 1 2 $software_2 . . 51591 1 3 $software_3 . . 51591 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 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.32854 0.01496 . . . . . . . . . . 51591 1 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.53207 0.01009 . . . . . . . . . . 51591 1 3 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.62447 0.02821 . . . . . . . . . . 51591 1 4 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.74771 0.01121 . . . . . . . . . . 51591 1 5 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.73958 0.00612 . . . . . . . . . . 51591 1 6 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.7517 0.00644 . . . . . . . . . . 51591 1 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.66444 0.0054 . . . . . . . . . . 51591 1 8 . 1 1 11 11 GLN N N 15 . 1 1 11 11 GLN H H 1 0.70184 0.00553 . . . . . . . . . . 51591 1 9 . 1 1 11 11 GLN NE2 N 15 . 1 1 11 11 GLN HE21 H 1 -0.24919 0.00367 . . . . . . . . . . 51591 1 10 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.72253 0.00552 . . . . . . . . . . 51591 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.70808 0.00546 . . . . . . . . . . 51591 1 12 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.75179 0.00561 . . . . . . . . . . 51591 1 13 . 1 1 14 14 GLN NE2 N 15 . 1 1 14 14 GLN HE21 H 1 -0.18456 0.00373 . . . . . . . . . . 51591 1 14 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.77327 0.00588 . . . . . . . . . . 51591 1 15 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.69172 0.00541 . . . . . . . . . . 51591 1 16 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.70428 0.0054 . . . . . . . . . . 51591 1 17 . 1 1 17 17 GLN NE2 N 15 . 1 1 17 17 GLN HE21 H 1 -0.09422 0.00356 . . . . . . . . . . 51591 1 18 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.6826 0.00532 . . . . . . . . . . 51591 1 19 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.70235 0.00517 . . . . . . . . . . 51591 1 20 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.64639 0.00472 . . . . . . . . . . 51591 1 21 . 1 1 20 20 GLN NE2 N 15 . 1 1 20 20 GLN HE21 H 1 -0.54082 0.00415 . . . . . . . . . . 51591 1 22 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.64582 0.00531 . . . . . . . . . . 51591 1 23 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.47546 0.00481 . . . . . . . . . . 51591 1 24 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.40751 0.00425 . . . . . . . . . . 51591 1 25 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.20219 0.00468 . . . . . . . . . . 51591 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51591 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name '(P3-7)2 HetNOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 15 '1H-15N heteronoe' . . . 51591 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51591 2 2 $software_2 . . 51591 2 3 $software_3 . . 51591 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 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.61486 0.03837 . . . . . . . . . . 51591 2 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.68297 0.01636 . . . . . . . . . . 51591 2 3 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.58009 0.05449 . . . . . . . . . . 51591 2 4 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.71776 0.01435 . . . . . . . . . . 51591 2 5 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.71868 0.01094 . . . . . . . . . . 51591 2 6 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.76961 0.01313 . . . . . . . . . . 51591 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.73346 0.01108 . . . . . . . . . . 51591 2 8 . 1 1 11 11 GLN N N 15 . 1 1 11 11 GLN H H 1 0.78285 0.01198 . . . . . . . . . . 51591 2 9 . 1 1 11 11 GLN NE2 N 15 . 1 1 11 11 GLN HE21 H 1 0.04469 0.00379 . . . . . . . . . . 51591 2 10 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.83285 0.01167 . . . . . . . . . . 51591 2 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.69266 0.01062 . . . . . . . . . . 51591 2 12 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.75376 0.01082 . . . . . . . . . . 51591 2 13 . 1 1 14 14 GLN NE2 N 15 . 1 1 14 14 GLN HE21 H 1 0.10391 0.00388 . . . . . . . . . . 51591 2 14 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.8063 0.0104 . . . . . . . . . . 51591 2 15 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.75816 0.01174 . . . . . . . . . . 51591 2 16 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.68492 0.00928 . . . . . . . . . . 51591 2 17 . 1 1 17 17 GLN NE2 N 15 . 1 1 17 17 GLN HE21 H 1 0.15112 0.00365 . . . . . . . . . . 51591 2 18 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.70469 0.00923 . . . . . . . . . . 51591 2 19 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.65093 0.00864 . . . . . . . . . . 51591 2 20 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.68582 0.00925 . . . . . . . . . . 51591 2 21 . 1 1 20 20 GLN NE2 N 15 . 1 1 20 20 GLN HE21 H 1 -0.13381 0.00313 . . . . . . . . . . 51591 2 22 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.61918 0.00853 . . . . . . . . . . 51591 2 23 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.54029 0.00872 . . . . . . . . . . 51591 2 24 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.45349 0.00734 . . . . . . . . . . 51591 2 25 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.39726 0.00784 . . . . . . . . . . 51591 2 stop_ save_