############################## # 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 51933 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R17Q_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' . . . 51933 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 . . 51933 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 0.40098 0.0292 . . . . . . . . . . 51933 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.47215 0.02957 . . . . . . . . . . 51933 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.44662 0.04296 . . . . . . . . . . 51933 1 4 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.49753 0.04984 . . . . . . . . . . 51933 1 5 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.44056 0.03769 . . . . . . . . . . 51933 1 6 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.43905 0.03643 . . . . . . . . . . 51933 1 7 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.45071 0.02491 . . . . . . . . . . 51933 1 8 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.49169 0.03712 . . . . . . . . . . 51933 1 9 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.41574 0.03381 . . . . . . . . . . 51933 1 10 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.42736 0.03094 . . . . . . . . . . 51933 1 11 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.43714 0.03359 . . . . . . . . . . 51933 1 12 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.4335 0.01596 . . . . . . . . . . 51933 1 13 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.35595 0.01202 . . . . . . . . . . 51933 1 14 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.41014 0.00996 . . . . . . . . . . 51933 1 15 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.40344 0.00791 . . . . . . . . . . 51933 1 16 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.31385 0.00999 . . . . . . . . . . 51933 1 17 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.28709 0.01152 . . . . . . . . . . 51933 1 18 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.34058 0.01538 . . . . . . . . . . 51933 1 19 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.36526 0.01738 . . . . . . . . . . 51933 1 20 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.33583 0.02076 . . . . . . . . . . 51933 1 21 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.35092 0.02876 . . . . . . . . . . 51933 1 22 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.31395 0.03073 . . . . . . . . . . 51933 1 23 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.32635 0.01573 . . . . . . . . . . 51933 1 24 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.32956 0.01472 . . . . . . . . . . 51933 1 25 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.37915 0.01853 . . . . . . . . . . 51933 1 26 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.38294 0.01478 . . . . . . . . . . 51933 1 27 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.34571 0.0151 . . . . . . . . . . 51933 1 28 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.35848 0.01645 . . . . . . . . . . 51933 1 29 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.37068 0.01739 . . . . . . . . . . 51933 1 30 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.26651 0.01184 . . . . . . . . . . 51933 1 31 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.21544 0.00685 . . . . . . . . . . 51933 1 32 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.11598 0.00413 . . . . . . . . . . 51933 1 33 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.12148 0.00523 . . . . . . . . . . 51933 1 34 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.16651 0.00547 . . . . . . . . . . 51933 1 35 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.17954 0.00405 . . . . . . . . . . 51933 1 36 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.16798 0.00623 . . . . . . . . . . 51933 1 37 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.21033 0.02658 . . . . . . . . . . 51933 1 38 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.12736 0.02825 . . . . . . . . . . 51933 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 51933 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R17Q_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' . . . 51933 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 . . 51933 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 0.37524 0.0575 . . . . . . . . . . 51933 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.37634 0.04114 . . . . . . . . . . 51933 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.35471 0.04762 . . . . . . . . . . 51933 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.37032 0.03643 . . . . . . . . . . 51933 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.34417 0.02535 . . . . . . . . . . 51933 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.3951 0.02657 . . . . . . . . . . 51933 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.27604 0.02456 . . . . . . . . . . 51933 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.29405 0.0526 . . . . . . . . . . 51933 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.19341 0.03365 . . . . . . . . . . 51933 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.27006 0.02592 . . . . . . . . . . 51933 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.24985 0.01681 . . . . . . . . . . 51933 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.22129 0.01345 . . . . . . . . . . 51933 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.17435 0.011 . . . . . . . . . . 51933 2 14 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.23457 0.01481 . . . . . . . . . . 51933 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.25789 0.01649 . . . . . . . . . . 51933 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.26449 0.02074 . . . . . . . . . . 51933 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.24702 0.01462 . . . . . . . . . . 51933 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.19915 0.01634 . . . . . . . . . . 51933 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.22241 0.01738 . . . . . . . . . . 51933 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.26298 0.02578 . . . . . . . . . . 51933 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.25109 0.01612 . . . . . . . . . . 51933 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.23739 0.01572 . . . . . . . . . . 51933 2 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.23619 0.02051 . . . . . . . . . . 51933 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.28911 0.03328 . . . . . . . . . . 51933 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.15349 0.02715 . . . . . . . . . . 51933 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.13353 0.01406 . . . . . . . . . . 51933 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.07751 0.01124 . . . . . . . . . . 51933 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.06718 0.01566 . . . . . . . . . . 51933 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.10817 0.02337 . . . . . . . . . . 51933 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.12491 0.01115 . . . . . . . . . . 51933 2 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.18086 0.02045 . . . . . . . . . . 51933 2 stop_ save_