data_34646 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34646 _Entry.Title ; Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-08 _Entry.Accession_date 2021-07-08 _Entry.Last_release_date 2021-08-02 _Entry.Original_release_date 2021-08-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 X. Wang X. . . . 34646 2 S. Bouaziz S. . . . 34646 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HIV-1 . 34646 P6 . 34646 'VIRAL PROTEIN' . 34646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 6 34646 '1H chemical shifts' 285 34646 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-01-10 . original BMRB . 34646 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7P3O 'BMRB Entry Tracking System' 34646 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34646 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Wang X. . . . 34646 1 2 S. Bouaziz S. . . . 34646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34646 _Assembly.ID 1 _Assembly.Name 'Gag protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34646 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LQSRPEPTAPPEESFRFGEE TTTPSQKQEPIDKELYPLAS LRSLFGSDPSSQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5812.297 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 34646 1 2 . GLN . 34646 1 3 . SER . 34646 1 4 . ARG . 34646 1 5 . PRO . 34646 1 6 . GLU . 34646 1 7 . PRO . 34646 1 8 . THR . 34646 1 9 . ALA . 34646 1 10 . PRO . 34646 1 11 . PRO . 34646 1 12 . GLU . 34646 1 13 . GLU . 34646 1 14 . SER . 34646 1 15 . PHE . 34646 1 16 . ARG . 34646 1 17 . PHE . 34646 1 18 . GLY . 34646 1 19 . GLU . 34646 1 20 . GLU . 34646 1 21 . THR . 34646 1 22 . THR . 34646 1 23 . THR . 34646 1 24 . PRO . 34646 1 25 . SER . 34646 1 26 . GLN . 34646 1 27 . LYS . 34646 1 28 . GLN . 34646 1 29 . GLU . 34646 1 30 . PRO . 34646 1 31 . ILE . 34646 1 32 . ASP . 34646 1 33 . LYS . 34646 1 34 . GLU . 34646 1 35 . LEU . 34646 1 36 . TYR . 34646 1 37 . PRO . 34646 1 38 . LEU . 34646 1 39 . ALA . 34646 1 40 . SER . 34646 1 41 . LEU . 34646 1 42 . ARG . 34646 1 43 . SER . 34646 1 44 . LEU . 34646 1 45 . PHE . 34646 1 46 . GLY . 34646 1 47 . SER . 34646 1 48 . ASP . 34646 1 49 . PRO . 34646 1 50 . SER . 34646 1 51 . SER . 34646 1 52 . GLN . 34646 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LEU 1 1 34646 1 . GLN 2 2 34646 1 . SER 3 3 34646 1 . ARG 4 4 34646 1 . PRO 5 5 34646 1 . GLU 6 6 34646 1 . PRO 7 7 34646 1 . THR 8 8 34646 1 . ALA 9 9 34646 1 . PRO 10 10 34646 1 . PRO 11 11 34646 1 . GLU 12 12 34646 1 . GLU 13 13 34646 1 . SER 14 14 34646 1 . PHE 15 15 34646 1 . ARG 16 16 34646 1 . PHE 17 17 34646 1 . GLY 18 18 34646 1 . GLU 19 19 34646 1 . GLU 20 20 34646 1 . THR 21 21 34646 1 . THR 22 22 34646 1 . THR 23 23 34646 1 . PRO 24 24 34646 1 . SER 25 25 34646 1 . GLN 26 26 34646 1 . LYS 27 27 34646 1 . GLN 28 28 34646 1 . GLU 29 29 34646 1 . PRO 30 30 34646 1 . ILE 31 31 34646 1 . ASP 32 32 34646 1 . LYS 33 33 34646 1 . GLU 34 34 34646 1 . LEU 35 35 34646 1 . TYR 36 36 34646 1 . PRO 37 37 34646 1 . LEU 38 38 34646 1 . ALA 39 39 34646 1 . SER 40 40 34646 1 . LEU 41 41 34646 1 . ARG 42 42 34646 1 . SER 43 43 34646 1 . LEU 44 44 34646 1 . PHE 45 45 34646 1 . GLY 46 46 34646 1 . SER 47 47 34646 1 . ASP 48 48 34646 1 . PRO 49 49 34646 1 . SER 50 50 34646 1 . SER 51 51 34646 1 . GLN 52 52 34646 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34646 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11676 organism . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . gag . 34646 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34646 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' Synthecium . . 2480903 . . . . . . . . . . . . 34646 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34646 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM unlabeled HIV-1 p6, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-1 p6' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 34646 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34646 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34646 1 pH 4 . pH 34646 1 pressure 1 . atm 34646 1 temperature 323 . K 34646 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34646 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34646 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34646 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34646 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34646 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34646 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34646 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34646 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34646 3 'data analysis' . 34646 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34646 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34646 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34646 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34646 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34646 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34646 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methylene protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 34646 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34646 1 2 '2D 1H-1H TOCSY' . . . 34646 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN H H 1 7.793 0.001 . . . . . . A 2 GLN H . 34646 1 2 . 1 . 1 2 2 GLN HA H 1 4.304 0.003 . . . . . . A 2 GLN HA . 34646 1 3 . 1 . 1 2 2 GLN HB2 H 1 1.737 0.000 . . . . . . A 2 GLN HB2 . 34646 1 4 . 1 . 1 2 2 GLN HB3 H 1 1.529 0.005 . . . . . . A 2 GLN HB3 . 34646 1 5 . 1 . 1 2 2 GLN HG2 H 1 2.109 0.007 . . . . . . A 2 GLN HG2 . 34646 1 6 . 1 . 1 2 2 GLN HG3 H 1 2.109 0.007 . . . . . . A 2 GLN HG3 . 34646 1 7 . 1 . 1 3 3 SER H H 1 8.078 0.002 . . . . . . A 3 SER H . 34646 1 8 . 1 . 1 3 3 SER HA H 1 4.026 0.012 . . . . . . A 3 SER HA . 34646 1 9 . 1 . 1 3 3 SER HB2 H 1 3.542 0.000 . . . . . . A 3 SER HB2 . 34646 1 10 . 1 . 1 3 3 SER HB3 H 1 3.542 0.000 . . . . . . A 3 SER HB3 . 34646 1 11 . 1 . 1 4 4 ARG H H 1 7.775 0.006 . . . . . . A 4 ARG H . 34646 1 12 . 1 . 1 4 4 ARG HA H 1 4.299 0.001 . . . . . . A 4 ARG HA . 34646 1 13 . 1 . 1 4 4 ARG HB2 H 1 1.488 0.001 . . . . . . A 4 ARG HB2 . 34646 1 14 . 1 . 1 4 4 ARG HB3 H 1 1.370 0.003 . . . . . . A 4 ARG HB3 . 34646 1 15 . 1 . 1 4 4 ARG HG2 H 1 1.294 0.001 . . . . . . A 4 ARG HG2 . 34646 1 16 . 1 . 1 4 4 ARG HG3 H 1 1.294 0.001 . . . . . . A 4 ARG HG3 . 34646 1 17 . 1 . 1 4 4 ARG HD2 H 1 2.842 0.000 . . . . . . A 4 ARG HD2 . 34646 1 18 . 1 . 1 4 4 ARG HD3 H 1 2.842 0.000 . . . . . . A 4 ARG HD3 . 34646 1 19 . 1 . 1 4 4 ARG HE H 1 6.775 0.001 . . . . . . A 4 ARG HE . 34646 1 20 . 1 . 1 6 6 GLU H H 1 7.540 0.008 . . . . . . A 6 GLU H . 34646 1 21 . 1 . 1 6 6 GLU HA H 1 3.913 0.001 . . . . . . A 6 GLU HA . 34646 1 22 . 1 . 1 6 6 GLU HB2 H 1 1.773 0.000 . . . . . . A 6 GLU HB2 . 34646 1 23 . 1 . 1 6 6 GLU HB3 H 1 1.586 0.000 . . . . . . A 6 GLU HB3 . 34646 1 24 . 1 . 1 6 6 GLU HG2 H 1 1.940 0.008 . . . . . . A 6 GLU HG2 . 34646 1 25 . 1 . 1 6 6 GLU HG3 H 1 1.940 0.008 . . . . . . A 6 GLU HG3 . 34646 1 26 . 1 . 1 7 7 PRO HA H 1 4.110 0.000 . . . . . . A 7 PRO HA . 34646 1 27 . 1 . 1 8 8 THR H H 1 7.572 0.002 . . . . . . A 8 THR H . 34646 1 28 . 1 . 1 8 8 THR HA H 1 3.912 0.002 . . . . . . A 8 THR HA . 34646 1 29 . 1 . 1 8 8 THR HB H 1 3.820 0.002 . . . . . . A 8 THR HB . 34646 1 30 . 1 . 1 8 8 THR HG21 H 1 0.830 0.003 . . . . . . A 8 THR HG21 . 34646 1 31 . 1 . 1 8 8 THR HG22 H 1 0.830 0.003 . . . . . . A 8 THR HG22 . 34646 1 32 . 1 . 1 8 8 THR HG23 H 1 0.830 0.003 . . . . . . A 8 THR HG23 . 34646 1 33 . 1 . 1 9 9 ALA H H 1 7.653 0.002 . . . . . . A 9 ALA H . 34646 1 34 . 1 . 1 9 9 ALA HA H 1 4.249 0.002 . . . . . . A 9 ALA HA . 34646 1 35 . 1 . 1 9 9 ALA HB1 H 1 0.966 0.002 . . . . . . A 9 ALA HB1 . 34646 1 36 . 1 . 1 9 9 ALA HB2 H 1 0.966 0.002 . . . . . . A 9 ALA HB2 . 34646 1 37 . 1 . 1 9 9 ALA HB3 H 1 0.966 0.002 . . . . . . A 9 ALA HB3 . 34646 1 38 . 1 . 1 11 11 PRO HA H 1 4.217 0.000 . . . . . . A 11 PRO HA . 34646 1 39 . 1 . 1 11 11 PRO HB2 H 1 1.907 0.000 . . . . . . A 11 PRO HB2 . 34646 1 40 . 1 . 1 11 11 PRO HB3 H 1 1.907 0.000 . . . . . . A 11 PRO HB3 . 34646 1 41 . 1 . 1 11 11 PRO HD2 H 1 3.273 0.000 . . . . . . A 11 PRO HD2 . 34646 1 42 . 1 . 1 11 11 PRO HD3 H 1 3.440 0.000 . . . . . . A 11 PRO HD3 . 34646 1 43 . 1 . 1 12 12 GLU H H 1 7.892 0.002 . . . . . . A 12 GLU H . 34646 1 44 . 1 . 1 12 12 GLU HA H 1 3.893 0.004 . . . . . . A 12 GLU HA . 34646 1 45 . 1 . 1 12 12 GLU HB2 H 1 1.691 0.007 . . . . . . A 12 GLU HB2 . 34646 1 46 . 1 . 1 12 12 GLU HB3 H 1 1.607 0.013 . . . . . . A 12 GLU HB3 . 34646 1 47 . 1 . 1 12 12 GLU HG2 H 1 2.066 0.006 . . . . . . A 12 GLU HG2 . 34646 1 48 . 1 . 1 12 12 GLU HG3 H 1 2.066 0.006 . . . . . . A 12 GLU HG3 . 34646 1 49 . 1 . 1 13 13 GLU H H 1 7.760 0.002 . . . . . . A 13 GLU H . 34646 1 50 . 1 . 1 13 13 GLU HA H 1 3.959 0.005 . . . . . . A 13 GLU HA . 34646 1 51 . 1 . 1 13 13 GLU HB2 H 1 1.681 0.006 . . . . . . A 13 GLU HB2 . 34646 1 52 . 1 . 1 13 13 GLU HB3 H 1 1.559 0.007 . . . . . . A 13 GLU HB3 . 34646 1 53 . 1 . 1 13 13 GLU HG2 H 1 2.005 0.004 . . . . . . A 13 GLU HG2 . 34646 1 54 . 1 . 1 13 13 GLU HG3 H 1 2.005 0.004 . . . . . . A 13 GLU HG3 . 34646 1 55 . 1 . 1 14 14 SER H H 1 7.631 0.006 . . . . . . A 14 SER H . 34646 1 56 . 1 . 1 14 14 SER HA H 1 3.990 0.006 . . . . . . A 14 SER HA . 34646 1 57 . 1 . 1 14 14 SER HB2 H 1 3.382 0.003 . . . . . . A 14 SER HB2 . 34646 1 58 . 1 . 1 14 14 SER HB3 H 1 3.382 0.003 . . . . . . A 14 SER HB3 . 34646 1 59 . 1 . 1 15 15 PHE H H 1 7.664 0.002 . . . . . . A 15 PHE H . 34646 1 60 . 1 . 1 15 15 PHE HA H 1 4.175 0.003 . . . . . . A 15 PHE HA . 34646 1 61 . 1 . 1 15 15 PHE HB2 H 1 2.656 0.018 . . . . . . A 15 PHE HB2 . 34646 1 62 . 1 . 1 15 15 PHE HB3 H 1 2.629 0.023 . . . . . . A 15 PHE HB3 . 34646 1 63 . 1 . 1 15 15 PHE HD1 H 1 6.824 0.001 . . . . . . A 15 PHE HD1 . 34646 1 64 . 1 . 1 15 15 PHE HD2 H 1 6.824 0.001 . . . . . . A 15 PHE HD2 . 34646 1 65 . 1 . 1 15 15 PHE HE1 H 1 6.865 0.000 . . . . . . A 15 PHE HE1 . 34646 1 66 . 1 . 1 15 15 PHE HE2 H 1 6.865 0.000 . . . . . . A 15 PHE HE2 . 34646 1 67 . 1 . 1 15 15 PHE N N 15 119.947 0.000 . . . . . . A 15 PHE N . 34646 1 68 . 1 . 1 16 16 ARG H H 1 7.498 0.015 . . . . . . A 16 ARG H . 34646 1 69 . 1 . 1 16 16 ARG HA H 1 3.872 0.005 . . . . . . A 16 ARG HA . 34646 1 70 . 1 . 1 16 16 ARG HB2 H 1 1.309 0.009 . . . . . . A 16 ARG HB2 . 34646 1 71 . 1 . 1 16 16 ARG HB3 H 1 1.238 0.014 . . . . . . A 16 ARG HB3 . 34646 1 72 . 1 . 1 16 16 ARG HG2 H 1 1.083 0.014 . . . . . . A 16 ARG HG2 . 34646 1 73 . 1 . 1 16 16 ARG HG3 H 1 1.083 0.014 . . . . . . A 16 ARG HG3 . 34646 1 74 . 1 . 1 16 16 ARG HD2 H 1 2.739 0.003 . . . . . . A 16 ARG HD2 . 34646 1 75 . 1 . 1 16 16 ARG HD3 H 1 2.739 0.003 . . . . . . A 16 ARG HD3 . 34646 1 76 . 1 . 1 16 16 ARG HE H 1 6.820 0.005 . . . . . . A 16 ARG HE . 34646 1 77 . 1 . 1 17 17 PHE H H 1 7.543 0.006 . . . . . . A 17 PHE H . 34646 1 78 . 1 . 1 17 17 PHE HA H 1 4.175 0.005 . . . . . . A 17 PHE HA . 34646 1 79 . 1 . 1 17 17 PHE HB2 H 1 2.615 0.003 . . . . . . A 17 PHE HB2 . 34646 1 80 . 1 . 1 17 17 PHE HB3 H 1 2.804 0.002 . . . . . . A 17 PHE HB3 . 34646 1 81 . 1 . 1 17 17 PHE HD1 H 1 6.891 0.002 . . . . . . A 17 PHE HD1 . 34646 1 82 . 1 . 1 17 17 PHE HD2 H 1 6.891 0.002 . . . . . . A 17 PHE HD2 . 34646 1 83 . 1 . 1 17 17 PHE N N 15 118.489 0.000 . . . . . . A 17 PHE N . 34646 1 84 . 1 . 1 18 18 GLY H H 1 7.853 0.002 . . . . . . A 18 GLY H . 34646 1 85 . 1 . 1 18 18 GLY HA2 H 1 3.564 0.002 . . . . . . A 18 GLY HA2 . 34646 1 86 . 1 . 1 18 18 GLY HA3 H 1 3.505 0.002 . . . . . . A 18 GLY HA3 . 34646 1 87 . 1 . 1 19 19 GLU H H 1 7.647 0.007 . . . . . . A 19 GLU H . 34646 1 88 . 1 . 1 19 19 GLU HA H 1 4.004 0.022 . . . . . . A 19 GLU HA . 34646 1 89 . 1 . 1 19 19 GLU HB2 H 1 1.748 0.000 . . . . . . A 19 GLU HB2 . 34646 1 90 . 1 . 1 19 19 GLU HB3 H 1 1.596 0.016 . . . . . . A 19 GLU HB3 . 34646 1 91 . 1 . 1 19 19 GLU HG2 H 1 2.035 0.002 . . . . . . A 19 GLU HG2 . 34646 1 92 . 1 . 1 19 19 GLU HG3 H 1 2.035 0.002 . . . . . . A 19 GLU HG3 . 34646 1 93 . 1 . 1 20 20 GLU H H 1 7.908 0.007 . . . . . . A 20 GLU H . 34646 1 94 . 1 . 1 20 20 GLU HA H 1 4.045 0.005 . . . . . . A 20 GLU HA . 34646 1 95 . 1 . 1 20 20 GLU HB2 H 1 1.752 0.005 . . . . . . A 20 GLU HB2 . 34646 1 96 . 1 . 1 20 20 GLU HB3 H 1 1.609 0.016 . . . . . . A 20 GLU HB3 . 34646 1 97 . 1 . 1 20 20 GLU HG2 H 1 2.066 0.000 . . . . . . A 20 GLU HG2 . 34646 1 98 . 1 . 1 20 20 GLU HG3 H 1 2.066 0.000 . . . . . . A 20 GLU HG3 . 34646 1 99 . 1 . 1 21 21 THR H H 1 7.650 0.006 . . . . . . A 21 THR H . 34646 1 100 . 1 . 1 21 21 THR HA H 1 4.043 0.005 . . . . . . A 21 THR HA . 34646 1 101 . 1 . 1 21 21 THR HB H 1 3.852 0.005 . . . . . . A 21 THR HB . 34646 1 102 . 1 . 1 21 21 THR HG21 H 1 0.809 0.003 . . . . . . A 21 THR HG21 . 34646 1 103 . 1 . 1 21 21 THR HG22 H 1 0.809 0.003 . . . . . . A 21 THR HG22 . 34646 1 104 . 1 . 1 21 21 THR HG23 H 1 0.809 0.003 . . . . . . A 21 THR HG23 . 34646 1 105 . 1 . 1 22 22 THR H H 1 7.645 0.016 . . . . . . A 22 THR H . 34646 1 106 . 1 . 1 22 22 THR HA H 1 4.047 0.009 . . . . . . A 22 THR HA . 34646 1 107 . 1 . 1 22 22 THR HB H 1 3.848 0.001 . . . . . . A 22 THR HB . 34646 1 108 . 1 . 1 22 22 THR HG21 H 1 0.808 0.002 . . . . . . A 22 THR HG21 . 34646 1 109 . 1 . 1 22 22 THR HG22 H 1 0.808 0.002 . . . . . . A 22 THR HG22 . 34646 1 110 . 1 . 1 22 22 THR HG23 H 1 0.808 0.002 . . . . . . A 22 THR HG23 . 34646 1 111 . 1 . 1 23 23 THR H H 1 7.675 0.002 . . . . . . A 23 THR H . 34646 1 112 . 1 . 1 23 23 THR HA H 1 4.253 0.004 . . . . . . A 23 THR HA . 34646 1 113 . 1 . 1 23 23 THR HB H 1 3.811 0.019 . . . . . . A 23 THR HB . 34646 1 114 . 1 . 1 23 23 THR HG21 H 1 0.860 0.002 . . . . . . A 23 THR HG21 . 34646 1 115 . 1 . 1 23 23 THR HG22 H 1 0.860 0.002 . . . . . . A 23 THR HG22 . 34646 1 116 . 1 . 1 23 23 THR HG23 H 1 0.860 0.002 . . . . . . A 23 THR HG23 . 34646 1 117 . 1 . 1 25 25 SER H H 1 7.774 0.008 . . . . . . A 25 SER H . 34646 1 118 . 1 . 1 25 25 SER HA H 1 4.008 0.023 . . . . . . A 25 SER HA . 34646 1 119 . 1 . 1 25 25 SER HB2 H 1 3.496 0.019 . . . . . . A 25 SER HB2 . 34646 1 120 . 1 . 1 25 25 SER HB3 H 1 3.518 0.000 . . . . . . A 25 SER HB3 . 34646 1 121 . 1 . 1 26 26 GLN H H 1 7.788 0.008 . . . . . . A 26 GLN H . 34646 1 122 . 1 . 1 26 26 GLN HA H 1 3.977 0.003 . . . . . . A 26 GLN HA . 34646 1 123 . 1 . 1 26 26 GLN HB2 H 1 1.746 0.003 . . . . . . A 26 GLN HB2 . 34646 1 124 . 1 . 1 26 26 GLN HB3 H 1 1.622 0.004 . . . . . . A 26 GLN HB3 . 34646 1 125 . 1 . 1 26 26 GLN HG2 H 1 1.978 0.010 . . . . . . A 26 GLN HG2 . 34646 1 126 . 1 . 1 26 26 GLN HG3 H 1 1.978 0.010 . . . . . . A 26 GLN HG3 . 34646 1 127 . 1 . 1 27 27 LYS H H 1 7.710 0.004 . . . . . . A 27 LYS H . 34646 1 128 . 1 . 1 27 27 LYS HA H 1 3.920 0.002 . . . . . . A 27 LYS HA . 34646 1 129 . 1 . 1 27 27 LYS HB2 H 1 1.365 0.003 . . . . . . A 27 LYS HB2 . 34646 1 130 . 1 . 1 27 27 LYS HB3 H 1 1.457 0.003 . . . . . . A 27 LYS HB3 . 34646 1 131 . 1 . 1 27 27 LYS HG2 H 1 1.021 0.010 . . . . . . A 27 LYS HG2 . 34646 1 132 . 1 . 1 27 27 LYS HG3 H 1 1.021 0.010 . . . . . . A 27 LYS HG3 . 34646 1 133 . 1 . 1 27 27 LYS HD2 H 1 1.296 0.000 . . . . . . A 27 LYS HD2 . 34646 1 134 . 1 . 1 27 27 LYS HD3 H 1 1.296 0.000 . . . . . . A 27 LYS HD3 . 34646 1 135 . 1 . 1 28 28 GLN H H 1 7.753 0.003 . . . . . . A 28 GLN H . 34646 1 136 . 1 . 1 28 28 GLN HA H 1 3.979 0.003 . . . . . . A 28 GLN HA . 34646 1 137 . 1 . 1 28 28 GLN HB2 H 1 1.697 0.006 . . . . . . A 28 GLN HB2 . 34646 1 138 . 1 . 1 28 28 GLN HB3 H 1 1.585 0.007 . . . . . . A 28 GLN HB3 . 34646 1 139 . 1 . 1 28 28 GLN HG2 H 1 1.964 0.002 . . . . . . A 28 GLN HG2 . 34646 1 140 . 1 . 1 28 28 GLN HG3 H 1 1.966 0.000 . . . . . . A 28 GLN HG3 . 34646 1 141 . 1 . 1 29 29 GLU H H 1 7.851 0.001 . . . . . . A 29 GLU H . 34646 1 142 . 1 . 1 29 29 GLU HA H 1 4.307 0.003 . . . . . . A 29 GLU HA . 34646 1 143 . 1 . 1 29 29 GLU HB2 H 1 1.554 0.003 . . . . . . A 29 GLU HB2 . 34646 1 144 . 1 . 1 29 29 GLU HB3 H 1 1.712 0.004 . . . . . . A 29 GLU HB3 . 34646 1 145 . 1 . 1 29 29 GLU HG2 H 1 2.080 0.005 . . . . . . A 29 GLU HG2 . 34646 1 146 . 1 . 1 29 29 GLU HG3 H 1 2.080 0.005 . . . . . . A 29 GLU HG3 . 34646 1 147 . 1 . 1 30 30 PRO HD2 H 1 3.317 0.001 . . . . . . A 30 PRO HD2 . 34646 1 148 . 1 . 1 30 30 PRO HD3 H 1 3.432 0.000 . . . . . . A 30 PRO HD3 . 34646 1 149 . 1 . 1 31 31 ILE H H 1 7.753 0.005 . . . . . . A 31 ILE H . 34646 1 150 . 1 . 1 31 31 ILE HA H 1 3.719 0.010 . . . . . . A 31 ILE HA . 34646 1 151 . 1 . 1 31 31 ILE HB H 1 1.539 0.008 . . . . . . A 31 ILE HB . 34646 1 152 . 1 . 1 31 31 ILE HG21 H 1 0.537 0.006 . . . . . . A 31 ILE HG21 . 34646 1 153 . 1 . 1 31 31 ILE HG22 H 1 0.537 0.006 . . . . . . A 31 ILE HG22 . 34646 1 154 . 1 . 1 31 31 ILE HG23 H 1 0.537 0.006 . . . . . . A 31 ILE HG23 . 34646 1 155 . 1 . 1 32 32 ASP H H 1 7.886 0.004 . . . . . . A 32 ASP H . 34646 1 156 . 1 . 1 32 32 ASP HA H 1 4.118 0.003 . . . . . . A 32 ASP HA . 34646 1 157 . 1 . 1 32 32 ASP HB2 H 1 2.453 0.003 . . . . . . A 32 ASP HB2 . 34646 1 158 . 1 . 1 32 32 ASP HB3 H 1 2.453 0.003 . . . . . . A 32 ASP HB3 . 34646 1 159 . 1 . 1 33 33 LYS H H 1 7.499 0.003 . . . . . . A 33 LYS H . 34646 1 160 . 1 . 1 33 33 LYS HA H 1 3.735 0.002 . . . . . . A 33 LYS HA . 34646 1 161 . 1 . 1 33 33 LYS HB2 H 1 1.476 0.003 . . . . . . A 33 LYS HB2 . 34646 1 162 . 1 . 1 33 33 LYS HB3 H 1 1.413 0.009 . . . . . . A 33 LYS HB3 . 34646 1 163 . 1 . 1 33 33 LYS HG2 H 1 1.049 0.000 . . . . . . A 33 LYS HG2 . 34646 1 164 . 1 . 1 33 33 LYS HG3 H 1 1.049 0.000 . . . . . . A 33 LYS HG3 . 34646 1 165 . 1 . 1 33 33 LYS HD2 H 1 1.299 0.000 . . . . . . A 33 LYS HD2 . 34646 1 166 . 1 . 1 33 33 LYS HD3 H 1 1.299 0.000 . . . . . . A 33 LYS HD3 . 34646 1 167 . 1 . 1 34 34 GLU H H 1 7.553 0.003 . . . . . . A 34 GLU H . 34646 1 168 . 1 . 1 34 34 GLU HA H 1 3.907 0.001 . . . . . . A 34 GLU HA . 34646 1 169 . 1 . 1 34 34 GLU HB2 H 1 1.705 0.020 . . . . . . A 34 GLU HB2 . 34646 1 170 . 1 . 1 34 34 GLU HB3 H 1 1.679 0.003 . . . . . . A 34 GLU HB3 . 34646 1 171 . 1 . 1 34 34 GLU HG2 H 1 2.046 0.003 . . . . . . A 34 GLU HG2 . 34646 1 172 . 1 . 1 34 34 GLU HG3 H 1 2.046 0.003 . . . . . . A 34 GLU HG3 . 34646 1 173 . 1 . 1 35 35 LEU H H 1 7.311 0.002 . . . . . . A 35 LEU H . 34646 1 174 . 1 . 1 35 35 LEU HA H 1 3.936 0.003 . . . . . . A 35 LEU HA . 34646 1 175 . 1 . 1 35 35 LEU HB2 H 1 1.304 0.002 . . . . . . A 35 LEU HB2 . 34646 1 176 . 1 . 1 35 35 LEU HB3 H 1 1.309 0.000 . . . . . . A 35 LEU HB3 . 34646 1 177 . 1 . 1 35 35 LEU HG H 1 1.164 0.003 . . . . . . A 35 LEU HG . 34646 1 178 . 1 . 1 35 35 LEU HD11 H 1 0.528 0.002 . . . . . . A 35 LEU HD11 . 34646 1 179 . 1 . 1 35 35 LEU HD12 H 1 0.528 0.002 . . . . . . A 35 LEU HD12 . 34646 1 180 . 1 . 1 35 35 LEU HD13 H 1 0.528 0.002 . . . . . . A 35 LEU HD13 . 34646 1 181 . 1 . 1 35 35 LEU HD21 H 1 0.459 0.000 . . . . . . A 35 LEU HD21 . 34646 1 182 . 1 . 1 35 35 LEU HD22 H 1 0.459 0.000 . . . . . . A 35 LEU HD22 . 34646 1 183 . 1 . 1 35 35 LEU HD23 H 1 0.459 0.000 . . . . . . A 35 LEU HD23 . 34646 1 184 . 1 . 1 36 36 TYR H H 1 7.305 0.003 . . . . . . A 36 TYR H . 34646 1 185 . 1 . 1 36 36 TYR HA H 1 4.237 0.002 . . . . . . A 36 TYR HA . 34646 1 186 . 1 . 1 36 36 TYR HB2 H 1 2.722 0.001 . . . . . . A 36 TYR HB2 . 34646 1 187 . 1 . 1 36 36 TYR HB3 H 1 2.722 0.001 . . . . . . A 36 TYR HB3 . 34646 1 188 . 1 . 1 36 36 TYR HD1 H 1 6.743 0.011 . . . . . . A 36 TYR HD1 . 34646 1 189 . 1 . 1 36 36 TYR HD2 H 1 6.743 0.011 . . . . . . A 36 TYR HD2 . 34646 1 190 . 1 . 1 36 36 TYR HE1 H 1 6.449 0.003 . . . . . . A 36 TYR HE1 . 34646 1 191 . 1 . 1 36 36 TYR HE2 H 1 6.449 0.003 . . . . . . A 36 TYR HE2 . 34646 1 192 . 1 . 1 37 37 PRO HA H 1 4.066 0.001 . . . . . . A 37 PRO HA . 34646 1 193 . 1 . 1 37 37 PRO HB2 H 1 1.921 0.000 . . . . . . A 37 PRO HB2 . 34646 1 194 . 1 . 1 37 37 PRO HB3 H 1 1.921 0.000 . . . . . . A 37 PRO HB3 . 34646 1 195 . 1 . 1 37 37 PRO HG2 H 1 1.427 0.000 . . . . . . A 37 PRO HG2 . 34646 1 196 . 1 . 1 37 37 PRO HG3 H 1 1.427 0.000 . . . . . . A 37 PRO HG3 . 34646 1 197 . 1 . 1 37 37 PRO HD2 H 1 3.269 0.000 . . . . . . A 37 PRO HD2 . 34646 1 198 . 1 . 1 37 37 PRO HD3 H 1 3.118 0.001 . . . . . . A 37 PRO HD3 . 34646 1 199 . 1 . 1 38 38 LEU H H 1 7.532 0.002 . . . . . . A 38 LEU H . 34646 1 200 . 1 . 1 38 38 LEU HA H 1 3.761 0.004 . . . . . . A 38 LEU HA . 34646 1 201 . 1 . 1 38 38 LEU HB2 H 1 1.474 0.002 . . . . . . A 38 LEU HB2 . 34646 1 202 . 1 . 1 38 38 LEU HB3 H 1 1.474 0.002 . . . . . . A 38 LEU HB3 . 34646 1 203 . 1 . 1 38 38 LEU HG H 1 1.377 0.000 . . . . . . A 38 LEU HG . 34646 1 204 . 1 . 1 38 38 LEU HD11 H 1 0.524 0.002 . . . . . . A 38 LEU HD11 . 34646 1 205 . 1 . 1 38 38 LEU HD12 H 1 0.524 0.002 . . . . . . A 38 LEU HD12 . 34646 1 206 . 1 . 1 38 38 LEU HD13 H 1 0.524 0.002 . . . . . . A 38 LEU HD13 . 34646 1 207 . 1 . 1 38 38 LEU HD21 H 1 0.602 0.004 . . . . . . A 38 LEU HD21 . 34646 1 208 . 1 . 1 38 38 LEU HD22 H 1 0.602 0.004 . . . . . . A 38 LEU HD22 . 34646 1 209 . 1 . 1 38 38 LEU HD23 H 1 0.602 0.004 . . . . . . A 38 LEU HD23 . 34646 1 210 . 1 . 1 39 39 ALA H H 1 7.703 0.003 . . . . . . A 39 ALA H . 34646 1 211 . 1 . 1 39 39 ALA HA H 1 3.687 0.013 . . . . . . A 39 ALA HA . 34646 1 212 . 1 . 1 39 39 ALA HB1 H 1 1.099 0.001 . . . . . . A 39 ALA HB1 . 34646 1 213 . 1 . 1 39 39 ALA HB2 H 1 1.099 0.001 . . . . . . A 39 ALA HB2 . 34646 1 214 . 1 . 1 39 39 ALA HB3 H 1 1.099 0.001 . . . . . . A 39 ALA HB3 . 34646 1 215 . 1 . 1 40 40 SER H H 1 7.590 0.007 . . . . . . A 40 SER H . 34646 1 216 . 1 . 1 40 40 SER HA H 1 3.956 0.002 . . . . . . A 40 SER HA . 34646 1 217 . 1 . 1 40 40 SER HB2 H 1 3.541 0.000 . . . . . . A 40 SER HB2 . 34646 1 218 . 1 . 1 40 40 SER HB3 H 1 3.541 0.000 . . . . . . A 40 SER HB3 . 34646 1 219 . 1 . 1 40 40 SER N N 15 111.917 0.000 . . . . . . A 40 SER N . 34646 1 220 . 1 . 1 41 41 LEU H H 1 7.500 0.002 . . . . . . A 41 LEU H . 34646 1 221 . 1 . 1 41 41 LEU HA H 1 3.771 0.002 . . . . . . A 41 LEU HA . 34646 1 222 . 1 . 1 41 41 LEU HB2 H 1 1.540 0.002 . . . . . . A 41 LEU HB2 . 34646 1 223 . 1 . 1 41 41 LEU HB3 H 1 1.540 0.002 . . . . . . A 41 LEU HB3 . 34646 1 224 . 1 . 1 41 41 LEU HG H 1 1.299 0.000 . . . . . . A 41 LEU HG . 34646 1 225 . 1 . 1 41 41 LEU HD11 H 1 0.524 0.000 . . . . . . A 41 LEU HD11 . 34646 1 226 . 1 . 1 41 41 LEU HD12 H 1 0.524 0.000 . . . . . . A 41 LEU HD12 . 34646 1 227 . 1 . 1 41 41 LEU HD13 H 1 0.524 0.000 . . . . . . A 41 LEU HD13 . 34646 1 228 . 1 . 1 41 41 LEU HD21 H 1 0.599 0.000 . . . . . . A 41 LEU HD21 . 34646 1 229 . 1 . 1 41 41 LEU HD22 H 1 0.599 0.000 . . . . . . A 41 LEU HD22 . 34646 1 230 . 1 . 1 41 41 LEU HD23 H 1 0.599 0.000 . . . . . . A 41 LEU HD23 . 34646 1 231 . 1 . 1 41 41 LEU N N 15 120.442 0.000 . . . . . . A 41 LEU N . 34646 1 232 . 1 . 1 42 42 ARG H H 1 7.555 0.006 . . . . . . A 42 ARG H . 34646 1 233 . 1 . 1 42 42 ARG HA H 1 3.609 0.005 . . . . . . A 42 ARG HA . 34646 1 234 . 1 . 1 42 42 ARG HB2 H 1 1.538 0.003 . . . . . . A 42 ARG HB2 . 34646 1 235 . 1 . 1 42 42 ARG HB3 H 1 1.593 0.002 . . . . . . A 42 ARG HB3 . 34646 1 236 . 1 . 1 42 42 ARG HG2 H 1 1.378 0.025 . . . . . . A 42 ARG HG2 . 34646 1 237 . 1 . 1 42 42 ARG HG3 H 1 1.380 0.022 . . . . . . A 42 ARG HG3 . 34646 1 238 . 1 . 1 42 42 ARG HD2 H 1 2.843 0.003 . . . . . . A 42 ARG HD2 . 34646 1 239 . 1 . 1 42 42 ARG HD3 H 1 2.843 0.003 . . . . . . A 42 ARG HD3 . 34646 1 240 . 1 . 1 42 42 ARG HE H 1 7.158 0.003 . . . . . . A 42 ARG HE . 34646 1 241 . 1 . 1 43 43 SER H H 1 7.402 0.008 . . . . . . A 43 SER H . 34646 1 242 . 1 . 1 43 43 SER HA H 1 3.955 0.002 . . . . . . A 43 SER HA . 34646 1 243 . 1 . 1 43 43 SER HB2 H 1 3.610 0.019 . . . . . . A 43 SER HB2 . 34646 1 244 . 1 . 1 43 43 SER HB3 H 1 3.610 0.019 . . . . . . A 43 SER HB3 . 34646 1 245 . 1 . 1 44 44 LEU H H 1 7.210 0.002 . . . . . . A 44 LEU H . 34646 1 246 . 1 . 1 44 44 LEU HA H 1 3.687 0.008 . . . . . . A 44 LEU HA . 34646 1 247 . 1 . 1 44 44 LEU HB2 H 1 1.204 0.001 . . . . . . A 44 LEU HB2 . 34646 1 248 . 1 . 1 44 44 LEU HB3 H 1 1.204 0.001 . . . . . . A 44 LEU HB3 . 34646 1 249 . 1 . 1 44 44 LEU HG H 1 0.866 0.002 . . . . . . A 44 LEU HG . 34646 1 250 . 1 . 1 44 44 LEU HD11 H 1 0.465 0.001 . . . . . . A 44 LEU HD11 . 34646 1 251 . 1 . 1 44 44 LEU HD12 H 1 0.465 0.001 . . . . . . A 44 LEU HD12 . 34646 1 252 . 1 . 1 44 44 LEU HD13 H 1 0.465 0.001 . . . . . . A 44 LEU HD13 . 34646 1 253 . 1 . 1 44 44 LEU HD21 H 1 0.376 0.001 . . . . . . A 44 LEU HD21 . 34646 1 254 . 1 . 1 44 44 LEU HD22 H 1 0.376 0.001 . . . . . . A 44 LEU HD22 . 34646 1 255 . 1 . 1 44 44 LEU HD23 H 1 0.376 0.001 . . . . . . A 44 LEU HD23 . 34646 1 256 . 1 . 1 44 44 LEU N N 15 119.936 0.000 . . . . . . A 44 LEU N . 34646 1 257 . 1 . 1 45 45 PHE H H 1 7.135 0.002 . . . . . . A 45 PHE H . 34646 1 258 . 1 . 1 45 45 PHE HA H 1 4.238 0.002 . . . . . . A 45 PHE HA . 34646 1 259 . 1 . 1 45 45 PHE HB2 H 1 2.548 0.002 . . . . . . A 45 PHE HB2 . 34646 1 260 . 1 . 1 45 45 PHE HB3 H 1 2.960 0.003 . . . . . . A 45 PHE HB3 . 34646 1 261 . 1 . 1 45 45 PHE HD1 H 1 6.947 0.003 . . . . . . A 45 PHE HD1 . 34646 1 262 . 1 . 1 45 45 PHE HD2 H 1 6.947 0.003 . . . . . . A 45 PHE HD2 . 34646 1 263 . 1 . 1 45 45 PHE HE1 H 1 6.816 0.002 . . . . . . A 45 PHE HE1 . 34646 1 264 . 1 . 1 45 45 PHE HE2 H 1 6.816 0.002 . . . . . . A 45 PHE HE2 . 34646 1 265 . 1 . 1 45 45 PHE N N 15 112.716 0.000 . . . . . . A 45 PHE N . 34646 1 266 . 1 . 1 46 46 GLY H H 1 7.512 0.006 . . . . . . A 46 GLY H . 34646 1 267 . 1 . 1 46 46 GLY HA2 H 1 3.671 0.006 . . . . . . A 46 GLY HA2 . 34646 1 268 . 1 . 1 46 46 GLY HA3 H 1 3.671 0.006 . . . . . . A 46 GLY HA3 . 34646 1 269 . 1 . 1 47 47 SER H H 1 7.665 0.004 . . . . . . A 47 SER H . 34646 1 270 . 1 . 1 47 47 SER HA H 1 4.153 0.001 . . . . . . A 47 SER HA . 34646 1 271 . 1 . 1 47 47 SER HB2 H 1 3.504 0.004 . . . . . . A 47 SER HB2 . 34646 1 272 . 1 . 1 47 47 SER HB3 H 1 3.504 0.004 . . . . . . A 47 SER HB3 . 34646 1 273 . 1 . 1 48 48 ASP H H 1 8.021 0.017 . . . . . . A 48 ASP H . 34646 1 274 . 1 . 1 48 48 ASP HA H 1 4.594 0.001 . . . . . . A 48 ASP HA . 34646 1 275 . 1 . 1 48 48 ASP HB2 H 1 2.534 0.002 . . . . . . A 48 ASP HB2 . 34646 1 276 . 1 . 1 48 48 ASP HB3 H 1 2.336 0.000 . . . . . . A 48 ASP HB3 . 34646 1 277 . 1 . 1 50 50 SER H H 1 8.266 0.001 . . . . . . A 50 SER H . 34646 1 278 . 1 . 1 50 50 SER HA H 1 4.194 0.000 . . . . . . A 50 SER HA . 34646 1 279 . 1 . 1 50 50 SER HB2 H 1 3.540 0.000 . . . . . . A 50 SER HB2 . 34646 1 280 . 1 . 1 50 50 SER HB3 H 1 3.540 0.000 . . . . . . A 50 SER HB3 . 34646 1 281 . 1 . 1 51 51 SER H H 1 7.908 0.013 . . . . . . A 51 SER H . 34646 1 282 . 1 . 1 51 51 SER HA H 1 4.054 0.011 . . . . . . A 51 SER HA . 34646 1 283 . 1 . 1 51 51 SER HB2 H 1 3.464 0.000 . . . . . . A 51 SER HB2 . 34646 1 284 . 1 . 1 51 51 SER HB3 H 1 3.514 0.000 . . . . . . A 51 SER HB3 . 34646 1 285 . 1 . 1 52 52 GLN H H 1 7.782 0.006 . . . . . . A 52 GLN H . 34646 1 286 . 1 . 1 52 52 GLN HA H 1 4.083 0.001 . . . . . . A 52 GLN HA . 34646 1 287 . 1 . 1 52 52 GLN HB2 H 1 1.744 0.000 . . . . . . A 52 GLN HB2 . 34646 1 288 . 1 . 1 52 52 GLN HB3 H 1 1.655 0.000 . . . . . . A 52 GLN HB3 . 34646 1 289 . 1 . 1 52 52 GLN HG2 H 1 2.015 0.000 . . . . . . A 52 GLN HG2 . 34646 1 290 . 1 . 1 52 52 GLN HG3 H 1 2.015 0.000 . . . . . . A 52 GLN HG3 . 34646 1 291 . 1 . 1 52 52 GLN HE21 H 1 8.302 0.001 . . . . . . A 52 GLN HE21 . 34646 1 stop_ save_