############################## # 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 51932 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R8Q_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' . . . 51932 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 . . 51932 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 0.36649 0.02862 . . . . . . . . . . 51932 1 2 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 0.41788 0.03996 . . . . . . . . . . 51932 1 3 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.44896 0.02484 . . . . . . . . . . 51932 1 4 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.45674 0.03667 . . . . . . . . . . 51932 1 5 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.43191 0.03869 . . . . . . . . . . 51932 1 6 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.37186 0.01559 . . . . . . . . . . 51932 1 7 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.39732 0.01298 . . . . . . . . . . 51932 1 8 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.32626 0.01149 . . . . . . . . . . 51932 1 9 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.33355 0.01501 . . . . . . . . . . 51932 1 10 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.33668 0.01502 . . . . . . . . . . 51932 1 11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.30425 0.01207 . . . . . . . . . . 51932 1 12 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.36159 0.01064 . . . . . . . . . . 51932 1 13 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.34787 0.00893 . . . . . . . . . . 51932 1 14 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.32893 0.01331 . . . . . . . . . . 51932 1 15 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.31675 0.02029 . . . . . . . . . . 51932 1 16 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.4279 0.03892 . . . . . . . . . . 51932 1 17 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.50343 0.06302 . . . . . . . . . . 51932 1 18 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.39722 0.04188 . . . . . . . . . . 51932 1 19 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.37632 0.03944 . . . . . . . . . . 51932 1 20 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.38172 0.0332 . . . . . . . . . . 51932 1 21 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.41629 0.03146 . . . . . . . . . . 51932 1 22 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.3955 0.02163 . . . . . . . . . . 51932 1 23 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.36523 0.02128 . . . . . . . . . . 51932 1 24 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.38216 0.02362 . . . . . . . . . . 51932 1 25 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.4034 0.02407 . . . . . . . . . . 51932 1 26 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.28601 0.01509 . . . . . . . . . . 51932 1 27 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.21157 0.00891 . . . . . . . . . . 51932 1 28 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.13442 0.0052 . . . . . . . . . . 51932 1 29 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.10707 0.0059 . . . . . . . . . . 51932 1 30 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.17695 0.00638 . . . . . . . . . . 51932 1 31 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.18213 0.00476 . . . . . . . . . . 51932 1 32 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.16217 0.00783 . . . . . . . . . . 51932 1 33 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.16577 0.03065 . . . . . . . . . . 51932 1 34 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.15962 0.03665 . . . . . . . . . . 51932 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 51932 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R8Q_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' . . . 51932 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 . . 51932 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 0.25358 0.0555 . . . . . . . . . . 51932 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.30781 0.02866 . . . . . . . . . . 51932 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.28092 0.03378 . . . . . . . . . . 51932 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.25135 0.02223 . . . . . . . . . . 51932 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.29641 0.0149 . . . . . . . . . . 51932 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.22892 0.01257 . . . . . . . . . . 51932 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.21411 0.01665 . . . . . . . . . . 51932 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.23126 0.05964 . . . . . . . . . . 51932 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.17345 0.03692 . . . . . . . . . . 51932 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.18468 0.02315 . . . . . . . . . . 51932 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.20303 0.01503 . . . . . . . . . . 51932 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.21275 0.01467 . . . . . . . . . . 51932 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.21717 0.01638 . . . . . . . . . . 51932 2 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.34844 0.02564 . . . . . . . . . . 51932 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.3391 0.02944 . . . . . . . . . . 51932 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.37554 0.03358 . . . . . . . . . . 51932 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.28266 0.02854 . . . . . . . . . . 51932 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.24392 0.02628 . . . . . . . . . . 51932 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.28266 0.02479 . . . . . . . . . . 51932 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.29875 0.02851 . . . . . . . . . . 51932 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.30472 0.02103 . . . . . . . . . . 51932 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.26027 0.01851 . . . . . . . . . . 51932 2 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.32003 0.0261 . . . . . . . . . . 51932 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.30711 0.03964 . . . . . . . . . . 51932 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.19938 0.03389 . . . . . . . . . . 51932 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.15944 0.01633 . . . . . . . . . . 51932 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.07632 0.01245 . . . . . . . . . . 51932 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.05866 0.01751 . . . . . . . . . . 51932 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.11185 0.02391 . . . . . . . . . . 51932 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.13986 0.01201 . . . . . . . . . . 51932 2 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.13706 0.02232 . . . . . . . . . . 51932 2 stop_ save_