############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15708 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.5E06 _Heteronucl_NOE_list.NOE_ref_description . _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 2 '2D 1H-15N HSQC' . . . 15708 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 1 $XEASY_CARA . . 15708 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 H H 1 . 1 1 3 3 THR N N 15 0.32 . . . . . . . . . . . 15708 1 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 0.42 . . . . . . . . . . . 15708 1 3 . 1 1 5 5 HIS H H 1 . 1 1 5 5 HIS N N 15 0.46 . . . . . . . . . . . 15708 1 4 . 1 1 6 6 LEU H H 1 . 1 1 6 6 LEU N N 15 0.34 . . . . . . . . . . . 15708 1 5 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.57 . . . . . . . . . . . 15708 1 6 . 1 1 8 8 ALA H H 1 . 1 1 8 8 ALA N N 15 0.53 . . . . . . . . . . . 15708 1 7 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.56 . . . . . . . . . . . 15708 1 8 . 1 1 10 10 LEU H H 1 . 1 1 10 10 LEU N N 15 0.52 . . . . . . . . . . . 15708 1 9 . 1 1 11 11 LEU H H 1 . 1 1 11 11 LEU N N 15 0.54 . . . . . . . . . . . 15708 1 10 . 1 1 13 13 LYS H H 1 . 1 1 13 13 LYS N N 15 0.37 . . . . . . . . . . . 15708 1 11 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.35 . . . . . . . . . . . 15708 1 12 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.24 . . . . . . . . . . . 15708 1 13 . 1 1 17 17 GLY H H 1 . 1 1 17 17 GLY N N 15 0.09 . . . . . . . . . . . 15708 1 14 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.17 . . . . . . . . . . . 15708 1 15 . 1 1 19 19 ASN H H 1 . 1 1 19 19 ASN N N 15 0.23 . . . . . . . . . . . 15708 1 16 . 1 1 20 20 ARG H H 1 . 1 1 20 20 ARG N N 15 0.20 . . . . . . . . . . . 15708 1 17 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.21 . . . . . . . . . . . 15708 1 18 . 1 1 22 22 LYS H H 1 . 1 1 22 22 LYS N N 15 0.30 . . . . . . . . . . . 15708 1 19 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.39 . . . . . . . . . . . 15708 1 20 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.23 . . . . . . . . . . . 15708 1 21 . 1 1 26 26 THR H H 1 . 1 1 26 26 THR N N 15 0.27 . . . . . . . . . . . 15708 1 22 . 1 1 28 28 TYR H H 1 . 1 1 28 28 TYR N N 15 0.43 . . . . . . . . . . . 15708 1 23 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.49 . . . . . . . . . . . 15708 1 24 . 1 1 30 30 PHE H H 1 . 1 1 30 30 PHE N N 15 0.40 . . . . . . . . . . . 15708 1 25 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.43 . . . . . . . . . . . 15708 1 26 . 1 1 32 32 GLU H H 1 . 1 1 32 32 GLU N N 15 0.45 . . . . . . . . . . . 15708 1 27 . 1 1 33 33 HIS H H 1 . 1 1 33 33 HIS N N 15 0.38 . . . . . . . . . . . 15708 1 28 . 1 1 34 34 CYS H H 1 . 1 1 34 34 CYS N N 15 0.49 . . . . . . . . . . . 15708 1 29 . 1 1 35 35 GLN H H 1 . 1 1 35 35 GLN N N 15 0.25 . . . . . . . . . . . 15708 1 30 . 1 1 36 36 ASP H H 1 . 1 1 36 36 ASP N N 15 0.24 . . . . . . . . . . . 15708 1 31 . 1 1 37 37 SER H H 1 . 1 1 37 37 SER N N 15 -0.55 . . . . . . . . . . . 15708 1 32 . 1 1 38 38 VAL H H 1 . 1 1 38 38 VAL N N 15 -0.21 . . . . . . . . . . . 15708 1 33 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 -0.50 . . . . . . . . . . . 15708 1 34 . 1 1 40 40 VAL H H 1 . 1 1 40 40 VAL N N 15 -1.10 . . . . . . . . . . . 15708 1 35 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 -1.85 . . . . . . . . . . . 15708 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 15708 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.5E06 _Heteronucl_NOE_list.NOE_ref_description . _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 '2D 1H-15N HSQC' . . . 15708 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 1 $XEASY_CARA . . 15708 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 2 2 ASN H H 1 . 1 1 2 2 ASN N N 15 0.55110346 . . . . . . . . . . . 15708 2 2 . 1 1 3 3 THR H H 1 . 1 1 3 3 THR N N 15 0.702714064 . . . . . . . . . . . 15708 2 3 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.641004627 . . . . . . . . . . . 15708 2 4 . 1 1 8 8 ALA H H 1 . 1 1 8 8 ALA N N 15 0.686119064 . . . . . . . . . . . 15708 2 5 . 1 1 9 9 LEU H H 1 . 1 1 9 9 LEU N N 15 0.680866232 . . . . . . . . . . . 15708 2 6 . 1 1 10 10 LEU H H 1 . 1 1 10 10 LEU N N 15 0.664131533 . . . . . . . . . . . 15708 2 7 . 1 1 11 11 LEU H H 1 . 1 1 11 11 LEU N N 15 0.586177385 . . . . . . . . . . . 15708 2 8 . 1 1 13 13 LYS H H 1 . 1 1 13 13 LYS N N 15 0.368008375 . . . . . . . . . . . 15708 2 9 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.205424128 . . . . . . . . . . . 15708 2 10 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.054965497 . . . . . . . . . . . 15708 2 11 . 1 1 17 17 GLY H H 1 . 1 1 17 17 GLY N N 15 -0.041129706 . . . . . . . . . . . 15708 2 12 . 1 1 18 18 GLU H H 1 . 1 1 18 18 GLU N N 15 0.130451926 . . . . . . . . . . . 15708 2 13 . 1 1 19 19 ASN H H 1 . 1 1 19 19 ASN N N 15 0.019307614 . . . . . . . . . . . 15708 2 14 . 1 1 20 20 ARG H H 1 . 1 1 20 20 ARG N N 15 -0.023314258 . . . . . . . . . . . 15708 2 15 . 1 1 21 21 SER H H 1 . 1 1 21 21 SER N N 15 0.047520225 . . . . . . . . . . . 15708 2 16 . 1 1 22 22 LYS H H 1 . 1 1 22 22 LYS N N 15 0.120649884 . . . . . . . . . . . 15708 2 17 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.061152718 . . . . . . . . . . . 15708 2 18 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.058780438 . . . . . . . . . . . 15708 2 19 . 1 1 26 26 THR H H 1 . 1 1 26 26 THR N N 15 0.298746515 . . . . . . . . . . . 15708 2 20 . 1 1 28 28 TYR H H 1 . 1 1 28 28 TYR N N 15 0.388070124 . . . . . . . . . . . 15708 2 21 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.42089403 . . . . . . . . . . . 15708 2 22 . 1 1 30 30 PHE H H 1 . 1 1 30 30 PHE N N 15 0.430495308 . . . . . . . . . . . 15708 2 23 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.45985418 . . . . . . . . . . . 15708 2 24 . 1 1 32 32 GLU H H 1 . 1 1 32 32 GLU N N 15 0.486145036 . . . . . . . . . . . 15708 2 25 . 1 1 33 33 HIS H H 1 . 1 1 33 33 HIS N N 15 0.520541339 . . . . . . . . . . . 15708 2 26 . 1 1 35 35 GLN H H 1 . 1 1 35 35 GLN N N 15 0.550335711 . . . . . . . . . . . 15708 2 27 . 1 1 36 36 ASP H H 1 . 1 1 36 36 ASP N N 15 0.308163752 . . . . . . . . . . . 15708 2 28 . 1 1 37 37 SER H H 1 . 1 1 37 37 SER N N 15 0.277946051 . . . . . . . . . . . 15708 2 29 . 1 1 38 38 VAL H H 1 . 1 1 38 38 VAL N N 15 -0.021194067 . . . . . . . . . . . 15708 2 30 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 -0.122818028 . . . . . . . . . . . 15708 2 31 . 1 1 40 40 VAL H H 1 . 1 1 40 40 VAL N N 15 -0.396764459 . . . . . . . . . . . 15708 2 32 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 -0.594392716 . . . . . . . . . . . 15708 2 stop_ save_