############################## # 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 53059 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26K_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' . . . 53059 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 . . 53059 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 0.09685 0.06964 . . . . . . . . . . 53059 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.0704 0.05941 . . . . . . . . . . 53059 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.17035 0.0676 . . . . . . . . . . 53059 1 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.21157 0.06232 . . . . . . . . . . 53059 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.25196 0.05176 . . . . . . . . . . 53059 1 6 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.13077 0.04952 . . . . . . . . . . 53059 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.1962 0.03919 . . . . . . . . . . 53059 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.23689 0.06755 . . . . . . . . . . 53059 1 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 -0.08897 0.06442 . . . . . . . . . . 53059 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.19833 0.04256 . . . . . . . . . . 53059 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.04301 0.04698 . . . . . . . . . . 53059 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.04539 0.0408 . . . . . . . . . . 53059 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.12669 0.04441 . . . . . . . . . . 53059 1 14 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.1906 0.03987 . . . . . . . . . . 53059 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.11177 0.05023 . . . . . . . . . . 53059 1 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.18175 0.03952 . . . . . . . . . . 53059 1 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.10093 0.05802 . . . . . . . . . . 53059 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.08108 0.05139 . . . . . . . . . . 53059 1 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.0188 0.05933 . . . . . . . . . . 53059 1 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 -0.01645 0.07045 . . . . . . . . . . 53059 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.00256 0.0473 . . . . . . . . . . 53059 1 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.06032 0.04164 . . . . . . . . . . 53059 1 23 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 -0.01306 0.04891 . . . . . . . . . . 53059 1 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 -0.06978 0.06772 . . . . . . . . . . 53059 1 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 -0.04203 0.07446 . . . . . . . . . . 53059 1 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.30076 0.064 . . . . . . . . . . 53059 1 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.269 0.03548 . . . . . . . . . . 53059 1 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.1616 0.04042 . . . . . . . . . . 53059 1 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.01178 0.03983 . . . . . . . . . . 53059 1 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.22537 0.03899 . . . . . . . . . . 53059 1 31 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.04191 0.10268 . . . . . . . . . . 53059 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 53059 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hnNOE_R2/8/17/26K_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' . . . 53059 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 . . 53059 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 -0.05448 0.03279 . . . . . . . . . . 53059 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.03215 0.02362 . . . . . . . . . . 53059 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.17244 0.01862 . . . . . . . . . . 53059 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.11884 0.00889 . . . . . . . . . . 53059 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.12624 0.00692 . . . . . . . . . . 53059 2 6 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.09705 0.00784 . . . . . . . . . . 53059 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.12326 0.00759 . . . . . . . . . . 53059 2 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.08996 0.00864 . . . . . . . . . . 53059 2 9 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 8.20E-04 0.00654 . . . . . . . . . . 53059 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.07294 0.00482 . . . . . . . . . . 53059 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.00529 0.00521 . . . . . . . . . . 53059 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.04343 0.00757 . . . . . . . . . . 53059 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.05545 0.01057 . . . . . . . . . . 53059 2 14 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.09914 0.01529 . . . . . . . . . . 53059 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.12365 0.01437 . . . . . . . . . . 53059 2 16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.10183 0.01526 . . . . . . . . . . 53059 2 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.00756 0.02014 . . . . . . . . . . 53059 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.0265 0.01657 . . . . . . . . . . 53059 2 19 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 -0.01419 0.01455 . . . . . . . . . . 53059 2 20 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.0279 0.02013 . . . . . . . . . . 53059 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.0174 0.01421 . . . . . . . . . . 53059 2 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.00418 0.01661 . . . . . . . . . . 53059 2 23 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.00171 0.02714 . . . . . . . . . . 53059 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.08211 0.01757 . . . . . . . . . . 53059 2 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 -0.07176 0.02971 . . . . . . . . . . 53059 2 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.14 0.0599 . . . . . . . . . . 53059 2 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.16772 0.01972 . . . . . . . . . . 53059 2 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.18426 0.01963 . . . . . . . . . . 53059 2 29 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 -0.06463 0.0168 . . . . . . . . . . 53059 2 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -9.86E-04 0.00531 . . . . . . . . . . 53059 2 stop_ save_