############################## # 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 51934 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R26Q_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' . . . 51934 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 . . 51934 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 0.40233 0.0294 . . . . . . . . . . 51934 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.45658 0.03207 . . . . . . . . . . 51934 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.45475 0.05183 . . . . . . . . . . 51934 1 4 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.47223 0.05863 . . . . . . . . . . 51934 1 5 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.44269 0.04232 . . . . . . . . . . 51934 1 6 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.43108 0.04322 . . . . . . . . . . 51934 1 7 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.37369 0.02294 . . . . . . . . . . 51934 1 8 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.42983 0.04564 . . . . . . . . . . 51934 1 9 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.4726 0.04927 . . . . . . . . . . 51934 1 10 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.4285 0.03476 . . . . . . . . . . 51934 1 11 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.41607 0.02158 . . . . . . . . . . 51934 1 12 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.40088 0.01607 . . . . . . . . . . 51934 1 13 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.46634 0.01377 . . . . . . . . . . 51934 1 14 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.43147 0.00971 . . . . . . . . . . 51934 1 15 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.36865 0.01264 . . . . . . . . . . 51934 1 16 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.34605 0.01704 . . . . . . . . . . 51934 1 17 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.43467 0.02551 . . . . . . . . . . 51934 1 18 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.42945 0.02276 . . . . . . . . . . 51934 1 19 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.39115 0.02134 . . . . . . . . . . 51934 1 20 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.33664 0.01175 . . . . . . . . . . 51934 1 21 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.32354 0.00992 . . . . . . . . . . 51934 1 22 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.34885 0.00823 . . . . . . . . . . 51934 1 23 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.3322 0.00829 . . . . . . . . . . 51934 1 24 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.25314 0.00739 . . . . . . . . . . 51934 1 25 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.1872 0.00676 . . . . . . . . . . 51934 1 26 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.21201 0.00771 . . . . . . . . . . 51934 1 27 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.13584 0.00871 . . . . . . . . . . 51934 1 28 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.10719 0.00538 . . . . . . . . . . 51934 1 29 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.03904 0.00397 . . . . . . . . . . 51934 1 30 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.06413 0.00572 . . . . . . . . . . 51934 1 31 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.10494 0.00542 . . . . . . . . . . 51934 1 32 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.10087 0.00405 . . . . . . . . . . 51934 1 33 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.11887 0.00662 . . . . . . . . . . 51934 1 34 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.11902 0.03016 . . . . . . . . . . 51934 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 51934 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R26Q_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' . . . 51934 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 . . 51934 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 0.16969 0.06478 . . . . . . . . . . 51934 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.32042 0.04581 . . . . . . . . . . 51934 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.38189 0.07123 . . . . . . . . . . 51934 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.34057 0.05057 . . . . . . . . . . 51934 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.40414 0.03777 . . . . . . . . . . 51934 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.43626 0.04136 . . . . . . . . . . 51934 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.3643 0.04768 . . . . . . . . . . 51934 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.24595 0.07716 . . . . . . . . . . 51934 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.3128 0.05227 . . . . . . . . . . 51934 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.29217 0.03424 . . . . . . . . . . 51934 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.29303 0.02096 . . . . . . . . . . 51934 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.29669 0.01854 . . . . . . . . . . 51934 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.28551 0.01791 . . . . . . . . . . 51934 2 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.34187 0.02508 . . . . . . . . . . 51934 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.28526 0.02452 . . . . . . . . . . 51934 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.36496 0.02973 . . . . . . . . . . 51934 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.27149 0.01716 . . . . . . . . . . 51934 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.23706 0.01685 . . . . . . . . . . 51934 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.24338 0.01744 . . . . . . . . . . 51934 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.24979 0.01973 . . . . . . . . . . 51934 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.24923 0.01291 . . . . . . . . . . 51934 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.16771 0.01015 . . . . . . . . . . 51934 2 23 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.14478 0.01275 . . . . . . . . . . 51934 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.09872 0.02175 . . . . . . . . . . 51934 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.09739 0.0354 . . . . . . . . . . 51934 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.05417 0.01053 . . . . . . . . . . 51934 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.03715 0.01109 . . . . . . . . . . 51934 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.02567 0.01736 . . . . . . . . . . 51934 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.03032 0.02698 . . . . . . . . . . 51934 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.04884 0.01205 . . . . . . . . . . 51934 2 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.11206 0.01669 . . . . . . . . . . 51934 2 stop_ save_