############################## # 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 53058 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26Q_H3_NCP_light _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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' . . . 53058 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 . . 53058 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 -0.67042 0.04353 . . . . . . . . . . 53058 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 -0.36893 0.02756 . . . . . . . . . . 53058 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 -0.2038 0.02028 . . . . . . . . . . 53058 1 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 -0.1502 0.0167 . . . . . . . . . . 53058 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 -0.12002 0.01283 . . . . . . . . . . 53058 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 -0.20237 0.01301 . . . . . . . . . . 53058 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 -0.05462 0.00903 . . . . . . . . . . 53058 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -0.16301 0.02108 . . . . . . . . . . 53058 1 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 -0.26006 0.02097 . . . . . . . . . . 53058 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.13273 0.01474 . . . . . . . . . . 53058 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.30094 0.01523 . . . . . . . . . . 53058 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.13038 0.01211 . . . . . . . . . . 53058 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 -0.17721 0.01134 . . . . . . . . . . 53058 1 14 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 -0.10697 0.01278 . . . . . . . . . . 53058 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 -0.0788 0.00896 . . . . . . . . . . 53058 1 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 -0.00296 0.01475 . . . . . . . . . . 53058 1 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 -0.13977 0.01385 . . . . . . . . . . 53058 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 -0.12101 0.01468 . . . . . . . . . . 53058 1 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 -0.13623 0.01509 . . . . . . . . . . 53058 1 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 -0.11437 0.01798 . . . . . . . . . . 53058 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 -0.11871 0.01335 . . . . . . . . . . 53058 1 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 -0.09895 0.01223 . . . . . . . . . . 53058 1 23 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 -0.19722 0.01553 . . . . . . . . . . 53058 1 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 -0.21479 0.0191 . . . . . . . . . . 53058 1 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 -0.27568 0.02142 . . . . . . . . . . 53058 1 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.28757 0.01933 . . . . . . . . . . 53058 1 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.35001 0.01509 . . . . . . . . . . 53058 1 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.24898 0.01678 . . . . . . . . . . 53058 1 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 -0.15099 0.01692 . . . . . . . . . . 53058 1 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.26533 0.01369 . . . . . . . . . . 53058 1 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 -0.11387 0.13273 . . . . . . . . . . 53058 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 53058 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26Q_H3_NCP_dense _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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' . . . 53058 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 . . 53058 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 -0.51912 0.06385 . . . . . . . . . . 53058 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 -0.26272 0.03399 . . . . . . . . . . 53058 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 -0.12095 0.01645 . . . . . . . . . . 53058 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 -0.09956 0.0117 . . . . . . . . . . 53058 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 -0.05557 0.00898 . . . . . . . . . . 53058 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 -0.14861 0.00886 . . . . . . . . . . 53058 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 -0.04695 0.0056 . . . . . . . . . . 53058 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -0.10003 0.01205 . . . . . . . . . . 53058 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 -0.20096 0.01341 . . . . . . . . . . 53058 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.10405 0.00905 . . . . . . . . . . 53058 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.22196 0.01003 . . . . . . . . . . 53058 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.09298 0.0077 . . . . . . . . . . 53058 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 -0.15686 0.0077 . . . . . . . . . . 53058 2 14 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 -0.07789 0.00857 . . . . . . . . . . 53058 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 -0.06498 0.00579 . . . . . . . . . . 53058 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.00176 0.00984 . . . . . . . . . . 53058 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 -0.11291 0.00978 . . . . . . . . . . 53058 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 -0.10208 0.01047 . . . . . . . . . . 53058 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 -0.11094 0.0105 . . . . . . . . . . 53058 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 -0.08401 0.01336 . . . . . . . . . . 53058 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 -0.09382 0.0092 . . . . . . . . . . 53058 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 -0.08565 0.00857 . . . . . . . . . . 53058 2 23 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 -0.16312 0.01202 . . . . . . . . . . 53058 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 -0.16067 0.01491 . . . . . . . . . . 53058 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 -0.2353 0.01743 . . . . . . . . . . 53058 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.24202 0.01926 . . . . . . . . . . 53058 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.31503 0.01474 . . . . . . . . . . 53058 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.22978 0.01439 . . . . . . . . . . 53058 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 -0.15511 0.014 . . . . . . . . . . 53058 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.21241 0.00985 . . . . . . . . . . 53058 2 stop_ save_