############################## # Heteronuclear NOE values # ############################## save_CKR-PNG-HetNOEs _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode CKR-PNG-HetNOEs _Heteronucl_NOE_list.Entry_ID 17032 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $CKR-PNG_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0.0 _Heteronucl_NOE_list.NOE_ref_description 'none (?)' _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 11 '2D 1H-15N HSQC' . . . 17032 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 5 $SPARKY . . 17032 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 2 2 CYS N N 15 . 1 1 2 2 CYS H H 1 0.1210 0 . . . 2 CYS N 1 2 CYS H 17032 1 2 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.1024 0 . . . 3 LYS N 1 3 LYS H 17032 1 3 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.6587 0 . . . 4 ARG N 1 4 ARG H 17032 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.3745 0 . . . 5 LYS N 1 5 LYS H 17032 1 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.3802 0 . . . 6 VAL N 1 6 VAL H 17032 1 6 . 1 1 7 7 TYR N N 15 . 1 1 7 7 TYR H H 1 0.3873 0 . . . 7 TYR N 1 7 TYR H 17032 1 7 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.7540 0 . . . 9 ASN N 1 9 ASN H 17032 1 8 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.6617 0 . . . 10 GLY N 1 10 GLY H 17032 1 9 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.7510 0 . . . 11 SER N 1 11 SER H 17032 1 10 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.8015 0 . . . 12 ILE N 1 12 ILE H 17032 1 11 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.5994 0 . . . 13 SER N 1 13 SER H 17032 1 12 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.3052 0 . . . 14 ASP N 1 14 ASP H 17032 1 13 . 1 1 15 15 TYR N N 15 . 1 1 15 15 TYR H H 1 0.5659 0 . . . 15 TYR N 1 15 TYR H 17032 1 14 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.7675 0 . . . 16 CYS N 1 16 CYS H 17032 1 15 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.3893 0 . . . 17 GLU N 1 17 GLU H 17032 1 16 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 -0.0233 0 . . . 18 TYR N 1 18 TYR H 17032 1 stop_ save_