############################## # 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 51931 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R2Q_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' . . . 51931 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 . . 51931 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 0.16471 0.00816 . . . . . . . . . . 51931 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.32644 0.00952 . . . . . . . . . . 51931 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.38092 0.01239 . . . . . . . . . . 51931 1 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.36642 0.01306 . . . . . . . . . . 51931 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.42916 0.01428 . . . . . . . . . . 51931 1 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.46572 0.01918 . . . . . . . . . . 51931 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.4581 0.02205 . . . . . . . . . . 51931 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.41962 0.01879 . . . . . . . . . . 51931 1 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.39221 0.01406 . . . . . . . . . . 51931 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.43583 0.01312 . . . . . . . . . . 51931 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.43264 0.01047 . . . . . . . . . . 51931 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.36611 0.01682 . . . . . . . . . . 51931 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.35751 0.02533 . . . . . . . . . . 51931 1 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.41742 0.04896 . . . . . . . . . . 51931 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.46574 0.05586 . . . . . . . . . . 51931 1 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.43142 0.06159 . . . . . . . . . . 51931 1 17 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.36606 0.04602 . . . . . . . . . . 51931 1 18 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.35618 0.0327 . . . . . . . . . . 51931 1 19 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.38539 0.03904 . . . . . . . . . . 51931 1 20 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.43872 0.02505 . . . . . . . . . . 51931 1 21 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.38187 0.02564 . . . . . . . . . . 51931 1 22 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.36569 0.02517 . . . . . . . . . . 51931 1 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.38762 0.02093 . . . . . . . . . . 51931 1 24 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.28178 0.0181 . . . . . . . . . . 51931 1 25 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.21021 0.00872 . . . . . . . . . . 51931 1 26 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.11629 0.00536 . . . . . . . . . . 51931 1 27 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.10995 0.00646 . . . . . . . . . . 51931 1 28 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.1775 0.00661 . . . . . . . . . . 51931 1 29 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.17071 0.00496 . . . . . . . . . . 51931 1 30 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.15581 0.00834 . . . . . . . . . . 51931 1 31 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.18095 0.03396 . . . . . . . . . . 51931 1 32 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.17306 0.04008 . . . . . . . . . . 51931 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 51931 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R2Q_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' . . . 51931 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 . . 51931 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 0.08381 0.03284 . . . . . . . . . . 51931 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.16332 0.02039 . . . . . . . . . . 51931 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.24463 0.02633 . . . . . . . . . . 51931 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.23753 0.02407 . . . . . . . . . . 51931 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.30394 0.01806 . . . . . . . . . . 51931 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.34474 0.01867 . . . . . . . . . . 51931 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.36613 0.02203 . . . . . . . . . . 51931 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.18169 0.0502 . . . . . . . . . . 51931 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.30837 0.03749 . . . . . . . . . . 51931 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.23699 0.02563 . . . . . . . . . . 51931 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.29752 0.01805 . . . . . . . . . . 51931 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.27354 0.01721 . . . . . . . . . . 51931 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.26352 0.02197 . . . . . . . . . . 51931 2 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.43881 0.0352 . . . . . . . . . . 51931 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.29606 0.03609 . . . . . . . . . . 51931 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.30453 0.04186 . . . . . . . . . . 51931 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.32377 0.04482 . . . . . . . . . . 51931 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.29754 0.03939 . . . . . . . . . . 51931 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.317 0.03051 . . . . . . . . . . 51931 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.33538 0.03371 . . . . . . . . . . 51931 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.26302 0.02272 . . . . . . . . . . 51931 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.30511 0.02288 . . . . . . . . . . 51931 2 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.27702 0.02616 . . . . . . . . . . 51931 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.33111 0.03813 . . . . . . . . . . 51931 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.15494 0.03429 . . . . . . . . . . 51931 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.15795 0.01668 . . . . . . . . . . 51931 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.09003 0.01296 . . . . . . . . . . 51931 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.08549 0.01826 . . . . . . . . . . 51931 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.17502 0.02654 . . . . . . . . . . 51931 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.14434 0.01268 . . . . . . . . . . 51931 2 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.11502 0.02048 . . . . . . . . . . 51931 2 stop_ save_