############################## # 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 51935 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26Q_H3_NCP_0KCl _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 1 _Heteronucl_NOE_list.NOE_ref_description 'NOE value here is a ratio of NOE signal with presat over NOE w/out presat' _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 3 '1H-15N heteronoe' . . . 51935 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 3 $software_3 . . 51935 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 THR N N 15 . 1 1 3 3 THR H H 1 0.1348 0.00758 . . . . . . . . . . 51935 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.30654 0.00712 . . . . . . . . . . 51935 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.36657 0.00918 . . . . . . . . . . 51935 1 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.29273 0.00859 . . . . . . . . . . 51935 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.31978 0.0065 . . . . . . . . . . 51935 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.28101 0.0069 . . . . . . . . . . 51935 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.30845 0.00771 . . . . . . . . . . 51935 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.32379 0.01137 . . . . . . . . . . 51935 1 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.24852 0.0093 . . . . . . . . . . 51935 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.28159 0.00751 . . . . . . . . . . 51935 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.28696 0.00607 . . . . . . . . . . 51935 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.26215 0.00656 . . . . . . . . . . 51935 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.22644 0.00614 . . . . . . . . . . 51935 1 14 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.30968 0.00752 . . . . . . . . . . 51935 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.32441 0.0082 . . . . . . . . . . 51935 1 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.30965 0.00965 . . . . . . . . . . 51935 1 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.28779 0.00865 . . . . . . . . . . 51935 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.28889 0.00775 . . . . . . . . . . 51935 1 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.28073 0.0087 . . . . . . . . . . 51935 1 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.31611 0.00936 . . . . . . . . . . 51935 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.31172 0.00741 . . . . . . . . . . 51935 1 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.22657 0.00648 . . . . . . . . . . 51935 1 23 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.18158 0.00654 . . . . . . . . . . 51935 1 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.22013 0.00815 . . . . . . . . . . 51935 1 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.17143 0.01034 . . . . . . . . . . 51935 1 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.12343 0.00603 . . . . . . . . . . 51935 1 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.03816 0.0047 . . . . . . . . . . 51935 1 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.07217 0.00629 . . . . . . . . . . 51935 1 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.11114 0.00636 . . . . . . . . . . 51935 1 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.13989 0.00477 . . . . . . . . . . 51935 1 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.13692 0.00721 . . . . . . . . . . 51935 1 32 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.07305 0.03199 . . . . . . . . . . 51935 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 51935 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26Q_H3_NCP_150KCl _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'NOE value here is a ratio of NOE signal with presat over NOE w/out presat' _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 6 '1H-15N heteronoe' . . . 51935 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 3 $software_3 . . 51935 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 THR N N 15 . 1 1 3 3 THR H H 1 -0.21937 0.07132 . . . . . . . . . . 51935 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.04411 0.02489 . . . . . . . . . . 51935 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.05868 0.02638 . . . . . . . . . . 51935 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.09515 0.02877 . . . . . . . . . . 51935 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.11873 0.01452 . . . . . . . . . . 51935 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.10108 0.01266 . . . . . . . . . . 51935 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.19126 0.01143 . . . . . . . . . . 51935 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -0.00851 0.12221 . . . . . . . . . . 51935 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.13667 0.10097 . . . . . . . . . . 51935 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.14241 0.04689 . . . . . . . . . . 51935 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.07083 0.02297 . . . . . . . . . . 51935 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.09313 0.01418 . . . . . . . . . . 51935 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.07909 0.00761 . . . . . . . . . . 51935 2 14 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.12904 0.00906 . . . . . . . . . . 51935 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.16237 0.0155 . . . . . . . . . . 51935 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.19096 0.01478 . . . . . . . . . . 51935 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.17885 0.00821 . . . . . . . . . . 51935 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.15328 0.01144 . . . . . . . . . . 51935 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.13969 0.01407 . . . . . . . . . . 51935 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.22226 0.01919 . . . . . . . . . . 51935 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.17442 0.01068 . . . . . . . . . . 51935 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.12542 0.00842 . . . . . . . . . . 51935 2 23 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.08672 0.0111 . . . . . . . . . . 51935 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.08061 0.01894 . . . . . . . . . . 51935 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.04654 0.03165 . . . . . . . . . . 51935 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.05816 0.00963 . . . . . . . . . . 51935 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.02873 0.01026 . . . . . . . . . . 51935 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.01051 0.01617 . . . . . . . . . . 51935 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.07812 0.0266 . . . . . . . . . . 51935 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.0704 0.01179 . . . . . . . . . . 51935 2 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.10387 0.01386 . . . . . . . . . . 51935 2 stop_ save_