############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_major_unfolded_state _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_major_unfolded_state _Heteronucl_NOE_list.Entry_ID 5076 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; _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 $sample1 . 5076 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 $nLinLS . . 5076 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 . . . 3 3 LYS . . . . . . 3 3 LYS . . . 0.0889 0.03 . . . . . . . . . . 5076 1 2 . . . 5 5 ILE . . . . . . 5 5 ILE . . . -0.4382 0.03 . . . . . . . . . . 5076 1 3 . . . 6 6 ALA . . . . . . 6 6 ALA . . . -0.1728 0.03 . . . . . . . . . . 5076 1 4 . . . 9 9 VAL . . . . . . 9 9 VAL . . . 0.2075 0.03 . . . . . . . . . . 5076 1 5 . . . 10 10 LEU . . . . . . 10 10 LEU . . . 0.0729 0.03 . . . . . . . . . . 5076 1 6 . . . 11 11 GLY . . . . . . 11 11 GLY . . . -0.1476 0.03 . . . . . . . . . . 5076 1 7 . . . 19 19 ARG . . . . . . 19 19 ARG . . . -0.0976 0.03 . . . . . . . . . . 5076 1 8 . . . 31 31 LYS . . . . . . 31 31 LYS . . . 0.0074 0.03 . . . . . . . . . . 5076 1 9 . . . 34 34 VAL . . . . . . 34 34 VAL . . . 0.1539 0.03 . . . . . . . . . . 5076 1 10 . . . 40 40 ALA . . . . . . 40 40 ALA . . . 0.3718 0.03 . . . . . . . . . . 5076 1 11 . . . 41 41 ILE . . . . . . 41 41 ILE . . . 0.0994 0.03 . . . . . . . . . . 5076 1 12 . . . 55 55 ASP . . . . . . 55 55 ASP . . . 0.5727 0.03 . . . . . . . . . . 5076 1 13 . . . 56 56 GLY . . . . . . 56 56 GLY . . . 0.1186 0.03 . . . . . . . . . . 5076 1 14 . . . 57 57 GLU . . . . . . 57 57 GLU . . . 0.3126 0.03 . . . . . . . . . . 5076 1 15 . . . 60 60 GLU . . . . . . 60 60 GLU . . . 0.0791 0.03 . . . . . . . . . . 5076 1 16 . . . 61 61 PHE . . . . . . 61 61 PHE . . . 0.1849 0.03 . . . . . . . . . . 5076 1 17 . . . 63 63 VAL . . . . . . 63 63 VAL . . . 0.2176 0.03 . . . . . . . . . . 5076 1 18 . . . 64 64 VAL . . . . . . 64 64 VAL . . . 0.1771 0.03 . . . . . . . . . . 5076 1 19 . . . 65 65 GLU . . . . . . 65 65 GLU . . . 0.1874 0.03 . . . . . . . . . . 5076 1 20 . . . 66 66 GLY . . . . . . 66 66 GLY . . . 0.0581 0.03 . . . . . . . . . . 5076 1 21 . . . 69 69 GLY . . . . . . 69 69 GLY . . . -0.3110 0.03 . . . . . . . . . . 5076 1 22 . . . 70 70 ALA . . . . . . 70 70 ALA . . . 0.1954 0.03 . . . . . . . . . . 5076 1 23 . . . 71 71 GLU . . . . . . 71 71 GLU . . . -0.0356 0.03 . . . . . . . . . . 5076 1 24 . . . 72 72 ALA . . . . . . 72 72 ALA . . . 0.2344 0.03 . . . . . . . . . . 5076 1 25 . . . 73 73 ALA . . . . . . 73 73 ALA . . . 0.0110 0.03 . . . . . . . . . . 5076 1 26 . . . 74 74 ASN . . . . . . 74 74 ASN . . . 0.5671 0.03 . . . . . . . . . . 5076 1 27 . . . 79 79 GLY . . . . . . 79 79 GLY . . . -0.8584 0.03 . . . . . . . . . . 5076 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_minor_unfolded_state _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_minor_unfolded_state _Heteronucl_NOE_list.Entry_ID 5076 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description 'not used' _Heteronucl_NOE_list.Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; _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 $sample1 . 5076 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 $nLinLS . . 5076 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 . . . 79 79 GLY . . . . . . 79 79 GLY . . . -0.3184 0.03 . . . . . . . . . . 5076 2 stop_ save_