data_34647 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34647 _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. . . . 34647 2 S. Bouaziz S. . . . 34647 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIVmac p6' . 34647 'VIRAL PROTEIN' . 34647 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34647 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 23 34647 '15N chemical shifts' 31 34647 '1H chemical shifts' 305 34647 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 . 34647 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7P3P 'BMRB Entry Tracking System' 34647 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34647 _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. . . . 34647 1 2 S. Bouaziz S. . . . 34647 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34647 _Assembly.ID 1 _Assembly.Name 'Gag polyprotein' _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 . . . . . . 34647 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34647 _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 ; PMAQVHQGLMPTAPPEDPAV DLLKNYMQLGKQQREKQRES REKPYKEVTEDLLHLNSLFG GDQ ; _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 63 _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 7242.185 _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 . PRO . 34647 1 2 . MET . 34647 1 3 . ALA . 34647 1 4 . GLN . 34647 1 5 . VAL . 34647 1 6 . HIS . 34647 1 7 . GLN . 34647 1 8 . GLY . 34647 1 9 . LEU . 34647 1 10 . MET . 34647 1 11 . PRO . 34647 1 12 . THR . 34647 1 13 . ALA . 34647 1 14 . PRO . 34647 1 15 . PRO . 34647 1 16 . GLU . 34647 1 17 . ASP . 34647 1 18 . PRO . 34647 1 19 . ALA . 34647 1 20 . VAL . 34647 1 21 . ASP . 34647 1 22 . LEU . 34647 1 23 . LEU . 34647 1 24 . LYS . 34647 1 25 . ASN . 34647 1 26 . TYR . 34647 1 27 . MET . 34647 1 28 . GLN . 34647 1 29 . LEU . 34647 1 30 . GLY . 34647 1 31 . LYS . 34647 1 32 . GLN . 34647 1 33 . GLN . 34647 1 34 . ARG . 34647 1 35 . GLU . 34647 1 36 . LYS . 34647 1 37 . GLN . 34647 1 38 . ARG . 34647 1 39 . GLU . 34647 1 40 . SER . 34647 1 41 . ARG . 34647 1 42 . GLU . 34647 1 43 . LYS . 34647 1 44 . PRO . 34647 1 45 . TYR . 34647 1 46 . LYS . 34647 1 47 . GLU . 34647 1 48 . VAL . 34647 1 49 . THR . 34647 1 50 . GLU . 34647 1 51 . ASP . 34647 1 52 . LEU . 34647 1 53 . LEU . 34647 1 54 . HIS . 34647 1 55 . LEU . 34647 1 56 . ASN . 34647 1 57 . SER . 34647 1 58 . LEU . 34647 1 59 . PHE . 34647 1 60 . GLY . 34647 1 61 . GLY . 34647 1 62 . ASP . 34647 1 63 . GLN . 34647 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 . PRO 1 1 34647 1 . MET 2 2 34647 1 . ALA 3 3 34647 1 . GLN 4 4 34647 1 . VAL 5 5 34647 1 . HIS 6 6 34647 1 . GLN 7 7 34647 1 . GLY 8 8 34647 1 . LEU 9 9 34647 1 . MET 10 10 34647 1 . PRO 11 11 34647 1 . THR 12 12 34647 1 . ALA 13 13 34647 1 . PRO 14 14 34647 1 . PRO 15 15 34647 1 . GLU 16 16 34647 1 . ASP 17 17 34647 1 . PRO 18 18 34647 1 . ALA 19 19 34647 1 . VAL 20 20 34647 1 . ASP 21 21 34647 1 . LEU 22 22 34647 1 . LEU 23 23 34647 1 . LYS 24 24 34647 1 . ASN 25 25 34647 1 . TYR 26 26 34647 1 . MET 27 27 34647 1 . GLN 28 28 34647 1 . LEU 29 29 34647 1 . GLY 30 30 34647 1 . LYS 31 31 34647 1 . GLN 32 32 34647 1 . GLN 33 33 34647 1 . ARG 34 34 34647 1 . GLU 35 35 34647 1 . LYS 36 36 34647 1 . GLN 37 37 34647 1 . ARG 38 38 34647 1 . GLU 39 39 34647 1 . SER 40 40 34647 1 . ARG 41 41 34647 1 . GLU 42 42 34647 1 . LYS 43 43 34647 1 . PRO 44 44 34647 1 . TYR 45 45 34647 1 . LYS 46 46 34647 1 . GLU 47 47 34647 1 . VAL 48 48 34647 1 . THR 49 49 34647 1 . GLU 50 50 34647 1 . ASP 51 51 34647 1 . LEU 52 52 34647 1 . LEU 53 53 34647 1 . HIS 54 54 34647 1 . LEU 55 55 34647 1 . ASN 56 56 34647 1 . SER 57 57 34647 1 . LEU 58 58 34647 1 . PHE 59 59 34647 1 . GLY 60 60 34647 1 . GLY 61 61 34647 1 . ASP 62 62 34647 1 . GLN 63 63 34647 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 34647 _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 . 11723 organism . 'Simian immunodeficiency virus' SIV . . Viruses . Lentivirus SIV . . . . . . . . . . . gag . 34647 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 34647 _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 . . . . . . . . . . . . 34647 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34647 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM SIVmac 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 'SIVmac p6' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 34647 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 34647 _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 34647 1 pH 4 . pH 34647 1 pressure 1 . atm 34647 1 temperature 323 . K 34647 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34647 _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' . . 34647 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34647 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34647 _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" . . 34647 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34647 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34647 _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 . . 34647 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34647 3 'data analysis' . 34647 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 34647 _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 34647 _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 . . . 34647 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 34647 _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 . . . . . . . . . . . . . . . . . 34647 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34647 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 34647 _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 internal direct 1.0 . . . . . 34647 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 34647 _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' . . . 34647 1 2 '2D 1H-1H TOCSY' . . . 34647 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 3 3 ALA H H 1 7.882 0.002 . . . . . . A 3 ALA H . 34647 1 2 . 1 . 1 3 3 ALA HA H 1 3.884 0.000 . . . . . . A 3 ALA HA . 34647 1 3 . 1 . 1 3 3 ALA HB1 H 1 0.944 0.000 . . . . . . A 3 ALA HB1 . 34647 1 4 . 1 . 1 3 3 ALA HB2 H 1 0.944 0.000 . . . . . . A 3 ALA HB2 . 34647 1 5 . 1 . 1 3 3 ALA HB3 H 1 0.944 0.000 . . . . . . A 3 ALA HB3 . 34647 1 6 . 1 . 1 3 3 ALA N N 15 123.959 0.000 . . . . . . A 3 ALA N . 34647 1 7 . 1 . 1 4 4 GLN H H 1 8.283 0.000 . . . . . . A 4 GLN H . 34647 1 8 . 1 . 1 4 4 GLN HA H 1 3.637 0.000 . . . . . . A 4 GLN HA . 34647 1 9 . 1 . 1 4 4 GLN N N 15 119.124 0.000 . . . . . . A 4 GLN N . 34647 1 10 . 1 . 1 5 5 VAL H H 1 7.536 0.003 . . . . . . A 5 VAL H . 34647 1 11 . 1 . 1 5 5 VAL HA H 1 3.641 0.004 . . . . . . A 5 VAL HA . 34647 1 12 . 1 . 1 5 5 VAL HB H 1 1.582 0.016 . . . . . . A 5 VAL HB . 34647 1 13 . 1 . 1 5 5 VAL HG11 H 1 0.451 0.000 . . . . . . A 5 VAL HG11 . 34647 1 14 . 1 . 1 5 5 VAL HG12 H 1 0.451 0.000 . . . . . . A 5 VAL HG12 . 34647 1 15 . 1 . 1 5 5 VAL HG13 H 1 0.451 0.000 . . . . . . A 5 VAL HG13 . 34647 1 16 . 1 . 1 5 5 VAL HG21 H 1 0.451 0.000 . . . . . . A 5 VAL HG21 . 34647 1 17 . 1 . 1 5 5 VAL HG22 H 1 0.451 0.000 . . . . . . A 5 VAL HG22 . 34647 1 18 . 1 . 1 5 5 VAL HG23 H 1 0.451 0.000 . . . . . . A 5 VAL HG23 . 34647 1 19 . 1 . 1 5 5 VAL N N 15 115.460 0.000 . . . . . . A 5 VAL N . 34647 1 20 . 1 . 1 6 6 HIS H H 1 8.007 0.014 . . . . . . A 6 HIS H . 34647 1 21 . 1 . 1 6 6 HIS HA H 1 4.283 0.000 . . . . . . A 6 HIS HA . 34647 1 22 . 1 . 1 6 6 HIS HB2 H 1 2.747 0.000 . . . . . . A 6 HIS HB2 . 34647 1 23 . 1 . 1 6 6 HIS HB3 H 1 2.844 0.000 . . . . . . A 6 HIS HB3 . 34647 1 24 . 1 . 1 6 6 HIS CA C 13 55.414 0.000 . . . . . . A 6 HIS CA . 34647 1 25 . 1 . 1 6 6 HIS N N 15 120.118 0.000 . . . . . . A 6 HIS N . 34647 1 26 . 1 . 1 7 7 GLN H H 1 7.916 0.014 . . . . . . A 7 GLN H . 34647 1 27 . 1 . 1 7 7 GLN HA H 1 3.901 0.000 . . . . . . A 7 GLN HA . 34647 1 28 . 1 . 1 7 7 GLN HB2 H 1 1.551 0.000 . . . . . . A 7 GLN HB2 . 34647 1 29 . 1 . 1 7 7 GLN HB3 H 1 1.662 0.000 . . . . . . A 7 GLN HB3 . 34647 1 30 . 1 . 1 7 7 GLN HG2 H 1 1.912 0.000 . . . . . . A 7 GLN HG2 . 34647 1 31 . 1 . 1 7 7 GLN HG3 H 1 1.912 0.000 . . . . . . A 7 GLN HG3 . 34647 1 32 . 1 . 1 7 7 GLN N N 15 120.598 0.000 . . . . . . A 7 GLN N . 34647 1 33 . 1 . 1 8 8 GLY H H 1 7.925 0.017 . . . . . . A 8 GLY H . 34647 1 34 . 1 . 1 8 8 GLY HA2 H 1 3.522 0.001 . . . . . . A 8 GLY HA2 . 34647 1 35 . 1 . 1 8 8 GLY HA3 H 1 3.522 0.001 . . . . . . A 8 GLY HA3 . 34647 1 36 . 1 . 1 8 8 GLY CA C 13 45.508 0.000 . . . . . . A 8 GLY CA . 34647 1 37 . 1 . 1 8 8 GLY N N 15 108.788 0.000 . . . . . . A 8 GLY N . 34647 1 38 . 1 . 1 9 9 LEU H H 1 7.590 0.002 . . . . . . A 9 LEU H . 34647 1 39 . 1 . 1 9 9 LEU HA H 1 3.913 0.002 . . . . . . A 9 LEU HA . 34647 1 40 . 1 . 1 9 9 LEU HB2 H 1 1.161 0.000 . . . . . . A 9 LEU HB2 . 34647 1 41 . 1 . 1 9 9 LEU HB3 H 1 1.161 0.000 . . . . . . A 9 LEU HB3 . 34647 1 42 . 1 . 1 10 10 MET H H 1 7.716 0.003 . . . . . . A 10 MET H . 34647 1 43 . 1 . 1 10 10 MET HA H 1 4.344 0.003 . . . . . . A 10 MET HA . 34647 1 44 . 1 . 1 10 10 MET HB3 H 1 1.621 0.000 . . . . . . A 10 MET HB3 . 34647 1 45 . 1 . 1 10 10 MET CA C 13 53.426 0.000 . . . . . . A 10 MET CA . 34647 1 46 . 1 . 1 11 11 PRO HA H 1 4.067 0.001 . . . . . . A 11 PRO HA . 34647 1 47 . 1 . 1 11 11 PRO HD2 H 1 3.268 0.000 . . . . . . A 11 PRO HD2 . 34647 1 48 . 1 . 1 11 11 PRO HD3 H 1 3.395 0.000 . . . . . . A 11 PRO HD3 . 34647 1 49 . 1 . 1 12 12 THR H H 1 7.569 0.003 . . . . . . A 12 THR H . 34647 1 50 . 1 . 1 12 12 THR HA H 1 3.835 0.004 . . . . . . A 12 THR HA . 34647 1 51 . 1 . 1 12 12 THR HB H 1 3.754 0.003 . . . . . . A 12 THR HB . 34647 1 52 . 1 . 1 12 12 THR HG21 H 1 0.758 0.001 . . . . . . A 12 THR HG21 . 34647 1 53 . 1 . 1 12 12 THR HG22 H 1 0.758 0.001 . . . . . . A 12 THR HG22 . 34647 1 54 . 1 . 1 12 12 THR HG23 H 1 0.758 0.001 . . . . . . A 12 THR HG23 . 34647 1 55 . 1 . 1 12 12 THR CA C 13 61.906 0.000 . . . . . . A 12 THR CA . 34647 1 56 . 1 . 1 12 12 THR CB C 13 70.168 0.000 . . . . . . A 12 THR CB . 34647 1 57 . 1 . 1 12 12 THR N N 15 112.101 0.000 . . . . . . A 12 THR N . 34647 1 58 . 1 . 1 13 13 ALA H H 1 7.636 0.003 . . . . . . A 13 ALA H . 34647 1 59 . 1 . 1 13 13 ALA HA H 1 4.197 0.002 . . . . . . A 13 ALA HA . 34647 1 60 . 1 . 1 13 13 ALA HB1 H 1 0.916 0.000 . . . . . . A 13 ALA HB1 . 34647 1 61 . 1 . 1 13 13 ALA HB2 H 1 0.916 0.000 . . . . . . A 13 ALA HB2 . 34647 1 62 . 1 . 1 13 13 ALA HB3 H 1 0.916 0.000 . . . . . . A 13 ALA HB3 . 34647 1 63 . 1 . 1 13 13 ALA CA C 13 50.537 0.000 . . . . . . A 13 ALA CA . 34647 1 64 . 1 . 1 13 13 ALA N N 15 125.398 0.000 . . . . . . A 13 ALA N . 34647 1 65 . 1 . 1 16 16 GLU H H 1 7.779 0.002 . . . . . . A 16 GLU H . 34647 1 66 . 1 . 1 16 16 GLU HA H 1 3.894 0.003 . . . . . . A 16 GLU HA . 34647 1 67 . 1 . 1 16 16 GLU HB3 H 1 1.996 0.007 . . . . . . A 16 GLU HB3 . 34647 1 68 . 1 . 1 17 17 ASP H H 1 7.959 0.002 . . . . . . A 17 ASP H . 34647 1 69 . 1 . 1 17 17 ASP HA H 1 4.508 0.001 . . . . . . A 17 ASP HA . 34647 1 70 . 1 . 1 17 17 ASP HB2 H 1 2.444 0.000 . . . . . . A 17 ASP HB2 . 34647 1 71 . 1 . 1 17 17 ASP HB3 H 1 2.501 0.000 . . . . . . A 17 ASP HB3 . 34647 1 72 . 1 . 1 17 17 ASP CA C 13 51.996 0.000 . . . . . . A 17 ASP CA . 34647 1 73 . 1 . 1 17 17 ASP N N 15 118.975 0.000 . . . . . . A 17 ASP N . 34647 1 74 . 1 . 1 19 19 ALA H H 1 7.798 0.006 . . . . . . A 19 ALA H . 34647 1 75 . 1 . 1 19 19 ALA HA H 1 3.661 0.007 . . . . . . A 19 ALA HA . 34647 1 76 . 1 . 1 19 19 ALA HB1 H 1 1.020 0.001 . . . . . . A 19 ALA HB1 . 34647 1 77 . 1 . 1 19 19 ALA HB2 H 1 1.020 0.001 . . . . . . A 19 ALA HB2 . 34647 1 78 . 1 . 1 19 19 ALA HB3 H 1 1.020 0.001 . . . . . . A 19 ALA HB3 . 34647 1 79 . 1 . 1 20 20 VAL H H 1 7.225 0.002 . . . . . . A 20 VAL H . 34647 1 80 . 1 . 1 20 20 VAL HA H 1 3.196 0.006 . . . . . . A 20 VAL HA . 34647 1 81 . 1 . 1 20 20 VAL HB H 1 1.734 0.001 . . . . . . A 20 VAL HB . 34647 1 82 . 1 . 1 20 20 VAL HG11 H 1 0.546 0.004 . . . . . . A 20 VAL HG11 . 34647 1 83 . 1 . 1 20 20 VAL HG12 H 1 0.546 0.004 . . . . . . A 20 VAL HG12 . 34647 1 84 . 1 . 1 20 20 VAL HG13 H 1 0.546 0.004 . . . . . . A 20 VAL HG13 . 34647 1 85 . 1 . 1 20 20 VAL HG21 H 1 0.625 0.003 . . . . . . A 20 VAL HG21 . 34647 1 86 . 1 . 1 20 20 VAL HG22 H 1 0.625 0.003 . . . . . . A 20 VAL HG22 . 34647 1 87 . 1 . 1 20 20 VAL HG23 H 1 0.625 0.003 . . . . . . A 20 VAL HG23 . 34647 1 88 . 1 . 1 20 20 VAL N N 15 119.108 0.000 . . . . . . A 20 VAL N . 34647 1 89 . 1 . 1 21 21 ASP H H 1 7.464 0.006 . . . . . . A 21 ASP H . 34647 1 90 . 1 . 1 21 21 ASP HA H 1 3.974 0.003 . . . . . . A 21 ASP HA . 34647 1 91 . 1 . 1 21 21 ASP HB2 H 1 2.434 0.003 . . . . . . A 21 ASP HB2 . 34647 1 92 . 1 . 1 21 21 ASP HB3 H 1 2.434 0.003 . . . . . . A 21 ASP HB3 . 34647 1 93 . 1 . 1 21 21 ASP N N 15 117.211 0.000 . . . . . . A 21 ASP N . 34647 1 94 . 1 . 1 22 22 LEU H H 1 7.794 0.006 . . . . . . A 22 LEU H . 34647 1 95 . 1 . 1 22 22 LEU HA H 1 3.902 0.007 . . . . . . A 22 LEU HA . 34647 1 96 . 1 . 1 22 22 LEU HB3 H 1 1.502 0.013 . . . . . . A 22 LEU HB3 . 34647 1 97 . 1 . 1 23 23 LEU H H 1 7.633 0.009 . . . . . . A 23 LEU H . 34647 1 98 . 1 . 1 23 23 LEU HA H 1 3.695 0.009 . . . . . . A 23 LEU HA . 34647 1 99 . 1 . 1 23 23 LEU HB2 H 1 1.160 0.000 . . . . . . A 23 LEU HB2 . 34647 1 100 . 1 . 1 23 23 LEU HB3 H 1 1.160 0.000 . . . . . . A 23 LEU HB3 . 34647 1 101 . 1 . 1 24 24 LYS H H 1 7.617 0.017 . . . . . . A 24 LYS H . 34647 1 102 . 1 . 1 24 24 LYS HA H 1 3.787 0.011 . . . . . . A 24 LYS HA . 34647 1 103 . 1 . 1 24 24 LYS HB3 H 1 1.382 0.000 . . . . . . A 24 LYS HB3 . 34647 1 104 . 1 . 1 25 25 ASN H H 1 7.391 0.013 . . . . . . A 25 ASN H . 34647 1 105 . 1 . 1 25 25 ASN HA H 1 3.806 0.001 . . . . . . A 25 ASN HA . 34647 1 106 . 1 . 1 25 25 ASN HB2 H 1 2.281 0.003 . . . . . . A 25 ASN HB2 . 34647 1 107 . 1 . 1 25 25 ASN HB3 H 1 2.169 0.000 . . . . . . A 25 ASN HB3 . 34647 1 108 . 1 . 1 25 25 ASN N N 15 117.294 0.000 . . . . . . A 25 ASN N . 34647 1 109 . 1 . 1 26 26 TYR H H 1 7.623 0.016 . . . . . . A 26 TYR H . 34647 1 110 . 1 . 1 26 26 TYR HA H 1 4.050 0.000 . . . . . . A 26 TYR HA . 34647 1 111 . 1 . 1 26 26 TYR HB2 H 1 2.669 0.009 . . . . . . A 26 TYR HB2 . 34647 1 112 . 1 . 1 26 26 TYR HB3 H 1 2.668 0.009 . . . . . . A 26 TYR HB3 . 34647 1 113 . 1 . 1 26 26 TYR HD1 H 1 6.638 0.001 . . . . . . A 26 TYR HD1 . 34647 1 114 . 1 . 1 26 26 TYR HD2 H 1 6.638 0.001 . . . . . . A 26 TYR HD2 . 34647 1 115 . 1 . 1 26 26 TYR HE1 H 1 6.340 0.003 . . . . . . A 26 TYR HE1 . 34647 1 116 . 1 . 1 26 26 TYR HE2 H 1 6.340 0.003 . . . . . . A 26 TYR HE2 . 34647 1 117 . 1 . 1 26 26 TYR CD2 C 13 132.749 0.000 . . . . . . A 26 TYR CD2 . 34647 1 118 . 1 . 1 26 26 TYR CE2 C 13 118.380 0.000 . . . . . . A 26 TYR CE2 . 34647 1 119 . 1 . 1 27 27 MET HB2 H 1 1.713 0.000 . . . . . . A 27 MET HB2 . 34647 1 120 . 1 . 1 27 27 MET HB3 H 1 1.655 0.000 . . . . . . A 27 MET HB3 . 34647 1 121 . 1 . 1 27 27 MET HG2 H 1 2.036 0.000 . . . . . . A 27 MET HG2 . 34647 1 122 . 1 . 1 27 27 MET HG3 H 1 2.114 0.000 . . . . . . A 27 MET HG3 . 34647 1 123 . 1 . 1 28 28 GLN H H 1 7.620 0.004 . . . . . . A 28 GLN H . 34647 1 124 . 1 . 1 28 28 GLN HA H 1 3.859 0.000 . . . . . . A 28 GLN HA . 34647 1 125 . 1 . 1 28 28 GLN HB3 H 1 1.723 0.000 . . . . . . A 28 GLN HB3 . 34647 1 126 . 1 . 1 29 29 LEU H H 1 7.447 0.002 . . . . . . A 29 LEU H . 34647 1 127 . 1 . 1 29 29 LEU HA H 1 3.796 0.004 . . . . . . A 29 LEU HA . 34647 1 128 . 1 . 1 29 29 LEU HB2 H 1 1.317 0.001 . . . . . . A 29 LEU HB2 . 34647 1 129 . 1 . 1 29 29 LEU HB3 H 1 1.317 0.001 . . . . . . A 29 LEU HB3 . 34647 1 130 . 1 . 1 29 29 LEU HG H 1 1.153 0.001 . . . . . . A 29 LEU HG . 34647 1 131 . 1 . 1 29 29 LEU HD11 H 1 0.478 0.014 . . . . . . A 29 LEU HD11 . 34647 1 132 . 1 . 1 29 29 LEU HD12 H 1 0.478 0.014 . . . . . . A 29 LEU HD12 . 34647 1 133 . 1 . 1 29 29 LEU HD13 H 1 0.478 0.014 . . . . . . A 29 LEU HD13 . 34647 1 134 . 1 . 1 29 29 LEU HD21 H 1 0.475 0.013 . . . . . . A 29 LEU HD21 . 34647 1 135 . 1 . 1 29 29 LEU HD22 H 1 0.475 0.013 . . . . . . A 29 LEU HD22 . 34647 1 136 . 1 . 1 29 29 LEU HD23 H 1 0.475 0.013 . . . . . . A 29 LEU HD23 . 34647 1 137 . 1 . 1 30 30 GLY H H 1 7.963 0.001 . . . . . . A 30 GLY H . 34647 1 138 . 1 . 1 30 30 GLY HA2 H 1 3.436 0.001 . . . . . . A 30 GLY HA2 . 34647 1 139 . 1 . 1 30 30 GLY HA3 H 1 3.436 0.001 . . . . . . A 30 GLY HA3 . 34647 1 140 . 1 . 1 30 30 GLY N N 15 106.570 0.000 . . . . . . A 30 GLY N . 34647 1 141 . 1 . 1 31 31 LYS H H 1 7.562 0.002 . . . . . . A 31 LYS H . 34647 1 142 . 1 . 1 31 31 LYS HA H 1 3.720 0.004 . . . . . . A 31 LYS HA . 34647 1 143 . 1 . 1 31 31 LYS HB2 H 1 1.399 0.006 . . . . . . A 31 LYS HB2 . 34647 1 144 . 1 . 1 31 31 LYS HB3 H 1 1.458 0.004 . . . . . . A 31 LYS HB3 . 34647 1 145 . 1 . 1 32 32 GLN H H 1 7.770 0.009 . . . . . . A 32 GLN H . 34647 1 146 . 1 . 1 32 32 GLN HA H 1 3.798 0.004 . . . . . . A 32 GLN HA . 34647 1 147 . 1 . 1 32 32 GLN HB2 H 1 1.623 0.000 . . . . . . A 32 GLN HB2 . 34647 1 148 . 1 . 1 32 32 GLN HB3 H 1 1.690 0.003 . . . . . . A 32 GLN HB3 . 34647 1 149 . 1 . 1 32 32 GLN HG2 H 1 1.970 0.001 . . . . . . A 32 GLN HG2 . 34647 1 150 . 1 . 1 32 32 GLN HG3 H 1 1.970 0.001 . . . . . . A 32 GLN HG3 . 34647 1 151 . 1 . 1 32 32 GLN HE21 H 1 6.970 0.000 . . . . . . A 32 GLN HE21 . 34647 1 152 . 1 . 1 32 32 GLN HE22 H 1 6.330 0.000 . . . . . . A 32 GLN HE22 . 34647 1 153 . 1 . 1 33 33 GLN H H 1 7.678 0.001 . . . . . . A 33 GLN H . 34647 1 154 . 1 . 1 33 33 GLN HA H 1 3.809 0.015 . . . . . . A 33 GLN HA . 34647 1 155 . 1 . 1 33 33 GLN HB2 H 1 1.696 0.003 . . . . . . A 33 GLN HB2 . 34647 1 156 . 1 . 1 33 33 GLN HB3 H 1 1.621 0.001 . . . . . . A 33 GLN HB3 . 34647 1 157 . 1 . 1 33 33 GLN HG2 H 1 1.970 0.001 . . . . . . A 33 GLN HG2 . 34647 1 158 . 1 . 1 33 33 GLN HG3 H 1 1.970 0.001 . . . . . . A 33 GLN HG3 . 34647 1 159 . 1 . 1 34 34 ARG H H 1 7.718 0.007 . . . . . . A 34 ARG H . 34647 1 160 . 1 . 1 34 34 ARG HA H 1 3.809 0.014 . . . . . . A 34 ARG HA . 34647 1 161 . 1 . 1 34 34 ARG HB2 H 1 1.400 0.006 . . . . . . A 34 ARG HB2 . 34647 1 162 . 1 . 1 34 34 ARG HB3 H 1 1.463 0.001 . . . . . . A 34 ARG HB3 . 34647 1 163 . 1 . 1 34 34 ARG HG2 H 1 1.257 0.003 . . . . . . A 34 ARG HG2 . 34647 1 164 . 1 . 1 34 34 ARG HG3 H 1 1.203 0.010 . . . . . . A 34 ARG HG3 . 34647 1 165 . 1 . 1 34 34 ARG HD2 H 1 2.775 0.003 . . . . . . A 34 ARG HD2 . 34647 1 166 . 1 . 1 34 34 ARG HD3 H 1 2.775 0.003 . . . . . . A 34 ARG HD3 . 34647 1 167 . 1 . 1 34 34 ARG HE H 1 6.802 0.003 . . . . . . A 34 ARG HE . 34647 1 168 . 1 . 1 35 35 GLU H H 1 7.690 0.026 . . . . . . A 35 GLU H . 34647 1 169 . 1 . 1 35 35 GLU HA H 1 3.918 0.000 . . . . . . A 35 GLU HA . 34647 1 170 . 1 . 1 36 36 LYS H H 1 7.861 0.002 . . . . . . A 36 LYS H . 34647 1 171 . 1 . 1 36 36 LYS HA H 1 3.513 0.001 . . . . . . A 36 LYS HA . 34647 1 172 . 1 . 1 36 36 LYS HB2 H 1 1.483 0.000 . . . . . . A 36 LYS HB2 . 34647 1 173 . 1 . 1 36 36 LYS HB3 H 1 1.481 0.002 . . . . . . A 36 LYS HB3 . 34647 1 174 . 1 . 1 36 36 LYS HG2 H 1 0.972 0.000 . . . . . . A 36 LYS HG2 . 34647 1 175 . 1 . 1 36 36 LYS HG3 H 1 0.972 0.000 . . . . . . A 36 LYS HG3 . 34647 1 176 . 1 . 1 36 36 LYS N N 15 116.397 0.000 . . . . . . A 36 LYS N . 34647 1 177 . 1 . 1 37 37 GLN H H 1 7.404 0.016 . . . . . . A 37 GLN H . 34647 1 178 . 1 . 1 37 37 GLN HA H 1 3.750 0.005 . . . . . . A 37 GLN HA . 34647 1 179 . 1 . 1 37 37 GLN HB2 H 1 1.730 0.000 . . . . . . A 37 GLN HB2 . 34647 1 180 . 1 . 1 37 37 GLN HB3 H 1 1.730 0.000 . . . . . . A 37 GLN HB3 . 34647 1 181 . 1 . 1 37 37 GLN HG2 H 1 1.978 0.000 . . . . . . A 37 GLN HG2 . 34647 1 182 . 1 . 1 37 37 GLN N N 15 115.673 0.000 . . . . . . A 37 GLN N . 34647 1 183 . 1 . 1 38 38 ARG H H 1 8.222 0.003 . . . . . . A 38 ARG H . 34647 1 184 . 1 . 1 38 38 ARG HA H 1 3.373 0.000 . . . . . . A 38 ARG HA . 34647 1 185 . 1 . 1 39 39 GLU H H 1 7.628 0.012 . . . . . . A 39 GLU H . 34647 1 186 . 1 . 1 39 39 GLU HA H 1 3.905 0.003 . . . . . . A 39 GLU HA . 34647 1 187 . 1 . 1 39 39 GLU HB3 H 1 1.480 0.000 . . . . . . A 39 GLU HB3 . 34647 1 188 . 1 . 1 40 40 SER H H 1 7.725 0.007 . . . . . . A 40 SER H . 34647 1 189 . 1 . 1 40 40 SER HA H 1 3.990 0.001 . . . . . . A 40 SER HA . 34647 1 190 . 1 . 1 40 40 SER HB2 H 1 3.469 0.005 . . . . . . A 40 SER HB2 . 34647 1 191 . 1 . 1 40 40 SER HB3 H 1 3.469 0.005 . . . . . . A 40 SER HB3 . 34647 1 192 . 1 . 1 40 40 SER CB C 13 64.022 0.000 . . . . . . A 40 SER CB . 34647 1 193 . 1 . 1 40 40 SER N N 15 114.899 0.000 . . . . . . A 40 SER N . 34647 1 194 . 1 . 1 41 41 ARG H H 1 7.754 0.004 . . . . . . A 41 ARG H . 34647 1 195 . 1 . 1 41 41 ARG HA H 1 3.907 0.000 . . . . . . A 41 ARG HA . 34647 1 196 . 1 . 1 41 41 ARG HB2 H 1 1.473 0.000 . . . . . . A 41 ARG HB2 . 34647 1 197 . 1 . 1 41 41 ARG HB3 H 1 1.370 0.000 . . . . . . A 41 ARG HB3 . 34647 1 198 . 1 . 1 41 41 ARG HG2 H 1 1.250 0.003 . . . . . . A 41 ARG HG2 . 34647 1 199 . 1 . 1 41 41 ARG HG3 H 1 1.250 0.003 . . . . . . A 41 ARG HG3 . 34647 1 200 . 1 . 1 41 41 ARG HD2 H 1 2.772 0.005 . . . . . . A 41 ARG HD2 . 34647 1 201 . 1 . 1 41 41 ARG HD3 H 1 2.772 0.005 . . . . . . A 41 ARG HD3 . 34647 1 202 . 1 . 1 41 41 ARG HE H 1 6.849 0.000 . . . . . . A 41 ARG HE . 34647 1 203 . 1 . 1 42 42 GLU H H 1 7.665 0.004 . . . . . . A 42 GLU H . 34647 1 204 . 1 . 1 42 42 GLU HA H 1 3.907 0.000 . . . . . . A 42 GLU HA . 34647 1 205 . 1 . 1 42 42 GLU HB2 H 1 1.586 0.000 . . . . . . A 42 GLU HB2 . 34647 1 206 . 1 . 1 42 42 GLU HB3 H 1 1.586 0.000 . . . . . . A 42 GLU HB3 . 34647 1 207 . 1 . 1 42 42 GLU HG2 H 1 2.030 0.000 . . . . . . A 42 GLU HG2 . 34647 1 208 . 1 . 1 42 42 GLU HG3 H 1 2.030 0.000 . . . . . . A 42 GLU HG3 . 34647 1 209 . 1 . 1 42 42 GLU N N 15 114.909 0.000 . . . . . . A 42 GLU N . 34647 1 210 . 1 . 1 43 43 LYS H H 1 7.739 0.003 . . . . . . A 43 LYS H . 34647 1 211 . 1 . 1 43 43 LYS HA H 1 4.005 0.009 . . . . . . A 43 LYS HA . 34647 1 212 . 1 . 1 43 43 LYS HB2 H 1 1.312 0.000 . . . . . . A 43 LYS HB2 . 34647 1 213 . 1 . 1 43 43 LYS HB3 H 1 1.312 0.000 . . . . . . A 43 LYS HB3 . 34647 1 214 . 1 . 1 43 43 LYS HG2 H 1 1.006 0.000 . . . . . . A 43 LYS HG2 . 34647 1 215 . 1 . 1 43 43 LYS HG3 H 1 1.006 0.000 . . . . . . A 43 LYS HG3 . 34647 1 216 . 1 . 1 43 43 LYS HD2 H 1 1.108 0.000 . . . . . . A 43 LYS HD2 . 34647 1 217 . 1 . 1 43 43 LYS HD3 H 1 1.108 0.000 . . . . . . A 43 LYS HD3 . 34647 1 218 . 1 . 1 44 44 PRO HA H 1 3.903 0.000 . . . . . . A 44 PRO HA . 34647 1 219 . 1 . 1 44 44 PRO HD2 H 1 3.331 0.001 . . . . . . A 44 PRO HD2 . 34647 1 220 . 1 . 1 44 44 PRO HD3 H 1 3.225 0.002 . . . . . . A 44 PRO HD3 . 34647 1 221 . 1 . 1 45 45 TYR H H 1 7.430 0.003 . . . . . . A 45 TYR H . 34647 1 222 . 1 . 1 45 45 TYR HA H 1 3.887 0.002 . . . . . . A 45 TYR HA . 34647 1 223 . 1 . 1 45 45 TYR HB2 H 1 2.631 0.000 . . . . . . A 45 TYR HB2 . 34647 1 224 . 1 . 1 45 45 TYR HB3 H 1 2.631 0.000 . . . . . . A 45 TYR HB3 . 34647 1 225 . 1 . 1 45 45 TYR HD1 H 1 6.610 0.005 . . . . . . A 45 TYR HD1 . 34647 1 226 . 1 . 1 45 45 TYR HD2 H 1 6.610 0.005 . . . . . . A 45 TYR HD2 . 34647 1 227 . 1 . 1 45 45 TYR HE1 H 1 6.394 0.013 . . . . . . A 45 TYR HE1 . 34647 1 228 . 1 . 1 45 45 TYR HE2 H 1 6.394 0.013 . . . . . . A 45 TYR HE2 . 34647 1 229 . 1 . 1 45 45 TYR CD1 C 13 132.902 0.000 . . . . . . A 45 TYR CD1 . 34647 1 230 . 1 . 1 45 45 TYR CE1 C 13 118.735 0.000 . . . . . . A 45 TYR CE1 . 34647 1 231 . 1 . 1 45 45 TYR N N 15 113.917 0.000 . . . . . . A 45 TYR N . 34647 1 232 . 1 . 1 46 46 LYS H H 1 7.579 0.004 . . . . . . A 46 LYS H . 34647 1 233 . 1 . 1 46 46 LYS HA H 1 3.610 0.004 . . . . . . A 46 LYS HA . 34647 1 234 . 1 . 1 46 46 LYS HB3 H 1 1.447 0.000 . . . . . . A 46 LYS HB3 . 34647 1 235 . 1 . 1 47 47 GLU H H 1 7.648 0.002 . . . . . . A 47 GLU H . 34647 1 236 . 1 . 1 47 47 GLU HA H 1 3.535 0.004 . . . . . . A 47 GLU HA . 34647 1 237 . 1 . 1 48 48 VAL H H 1 7.548 0.008 . . . . . . A 48 VAL H . 34647 1 238 . 1 . 1 48 48 VAL HA H 1 3.386 0.018 . . . . . . A 48 VAL HA . 34647 1 239 . 1 . 1 48 48 VAL HB H 1 1.750 0.003 . . . . . . A 48 VAL HB . 34647 1 240 . 1 . 1 48 48 VAL HG11 H 1 0.538 0.000 . . . . . . A 48 VAL HG11 . 34647 1 241 . 1 . 1 48 48 VAL HG12 H 1 0.538 0.000 . . . . . . A 48 VAL HG12 . 34647 1 242 . 1 . 1 48 48 VAL HG13 H 1 0.538 0.000 . . . . . . A 48 VAL HG13 . 34647 1 243 . 1 . 1 48 48 VAL HG21 H 1 0.642 0.002 . . . . . . A 48 VAL HG21 . 34647 1 244 . 1 . 1 48 48 VAL HG22 H 1 0.642 0.002 . . . . . . A 48 VAL HG22 . 34647 1 245 . 1 . 1 48 48 VAL HG23 H 1 0.642 0.002 . . . . . . A 48 VAL HG23 . 34647 1 246 . 1 . 1 48 48 VAL CA C 13 65.850 0.000 . . . . . . A 48 VAL CA . 34647 1 247 . 1 . 1 48 48 VAL N N 15 116.187 0.000 . . . . . . A 48 VAL N . 34647 1 248 . 1 . 1 49 49 THR H H 1 7.431 0.001 . . . . . . A 49 THR H . 34647 1 249 . 1 . 1 49 49 THR HA H 1 3.402 0.007 . . . . . . A 49 THR HA . 34647 1 250 . 1 . 1 49 49 THR HB H 1 3.780 0.000 . . . . . . A 49 THR HB . 34647 1 251 . 1 . 1 49 49 THR HG21 H 1 0.750 0.000 . . . . . . A 49 THR HG21 . 34647 1 252 . 1 . 1 49 49 THR HG22 H 1 0.750 0.000 . . . . . . A 49 THR HG22 . 34647 1 253 . 1 . 1 49 49 THR HG23 H 1 0.750 0.000 . . . . . . A 49 THR HG23 . 34647 1 254 . 1 . 1 49 49 THR CA C 13 66.759 0.000 . . . . . . A 49 THR CA . 34647 1 255 . 1 . 1 49 49 THR CB C 13 68.625 0.000 . . . . . . A 49 THR CB . 34647 1 256 . 1 . 1 49 49 THR N N 15 111.891 0.000 . . . . . . A 49 THR N . 34647 1 257 . 1 . 1 50 50 GLU H H 1 7.617 0.011 . . . . . . A 50 GLU H . 34647 1 258 . 1 . 1 50 50 GLU HA H 1 3.770 0.013 . . . . . . A 50 GLU HA . 34647 1 259 . 1 . 1 50 50 GLU N N 15 115.906 0.000 . . . . . . A 50 GLU N . 34647 1 260 . 1 . 1 51 51 ASP H H 1 7.638 0.004 . . . . . . A 51 ASP H . 34647 1 261 . 1 . 1 51 51 ASP HA H 1 4.060 0.015 . . . . . . A 51 ASP HA . 34647 1 262 . 1 . 1 51 51 ASP HB2 H 1 2.441 0.001 . . . . . . A 51 ASP HB2 . 34647 1 263 . 1 . 1 51 51 ASP HB3 H 1 2.441 0.001 . . . . . . A 51 ASP HB3 . 34647 1 264 . 1 . 1 52 52 LEU H H 1 7.715 0.005 . . . . . . A 52 LEU H . 34647 1 265 . 1 . 1 52 52 LEU HA H 1 3.692 0.004 . . . . . . A 52 LEU HA . 34647 1 266 . 1 . 1 52 52 LEU HB2 H 1 1.454 0.000 . . . . . . A 52 LEU HB2 . 34647 1 267 . 1 . 1 52 52 LEU HB3 H 1 1.454 0.000 . . . . . . A 52 LEU HB3 . 34647 1 268 . 1 . 1 52 52 LEU HG H 1 1.266 0.000 . . . . . . A 52 LEU HG . 34647 1 269 . 1 . 1 52 52 LEU HD11 H 1 0.443 0.010 . . . . . . A 52 LEU HD11 . 34647 1 270 . 1 . 1 52 52 LEU HD12 H 1 0.443 0.010 . . . . . . A 52 LEU HD12 . 34647 1 271 . 1 . 1 52 52 LEU HD13 H 1 0.443 0.010 . . . . . . A 52 LEU HD13 . 34647 1 272 . 1 . 1 52 52 LEU HD21 H 1 0.443 0.010 . . . . . . A 52 LEU HD21 . 34647 1 273 . 1 . 1 52 52 LEU HD22 H 1 0.443 0.010 . . . . . . A 52 LEU HD22 . 34647 1 274 . 1 . 1 52 52 LEU HD23 H 1 0.443 0.010 . . . . . . A 52 LEU HD23 . 34647 1 275 . 1 . 1 53 53 LEU H H 1 7.377 0.014 . . . . . . A 53 LEU H . 34647 1 276 . 1 . 1 53 53 LEU HA H 1 3.707 0.010 . . . . . . A 53 LEU HA . 34647 1 277 . 1 . 1 53 53 LEU HB2 H 1 1.351 0.000 . . . . . . A 53 LEU HB2 . 34647 1 278 . 1 . 1 53 53 LEU HB3 H 1 1.454 0.000 . . . . . . A 53 LEU HB3 . 34647 1 279 . 1 . 1 53 53 LEU HG H 1 1.126 0.000 . . . . . . A 53 LEU HG . 34647 1 280 . 1 . 1 53 53 LEU HD11 H 1 0.439 0.007 . . . . . . A 53 LEU HD11 . 34647 1 281 . 1 . 1 53 53 LEU HD12 H 1 0.439 0.007 . . . . . . A 53 LEU HD12 . 34647 1 282 . 1 . 1 53 53 LEU HD13 H 1 0.439 0.007 . . . . . . A 53 LEU HD13 . 34647 1 283 . 1 . 1 53 53 LEU HD21 H 1 0.439 0.007 . . . . . . A 53 LEU HD21 . 34647 1 284 . 1 . 1 53 53 LEU HD22 H 1 0.439 0.007 . . . . . . A 53 LEU HD22 . 34647 1 285 . 1 . 1 53 53 LEU HD23 H 1 0.439 0.007 . . . . . . A 53 LEU HD23 . 34647 1 286 . 1 . 1 53 53 LEU N N 15 115.487 0.000 . . . . . . A 53 LEU N . 34647 1 287 . 1 . 1 54 54 HIS H H 1 7.424 0.003 . . . . . . A 54 HIS H . 34647 1 288 . 1 . 1 54 54 HIS HA H 1 4.249 0.005 . . . . . . A 54 HIS HA . 34647 1 289 . 1 . 1 54 54 HIS HB2 H 1 3.032 0.006 . . . . . . A 54 HIS HB2 . 34647 1 290 . 1 . 1 54 54 HIS HB3 H 1 2.893 0.009 . . . . . . A 54 HIS HB3 . 34647 1 291 . 1 . 1 54 54 HIS N N 15 115.359 0.000 . . . . . . A 54 HIS N . 34647 1 292 . 1 . 1 55 55 LEU H H 1 7.636 0.004 . . . . . . A 55 LEU H . 34647 1 293 . 1 . 1 55 55 LEU HA H 1 3.696 0.017 . . . . . . A 55 LEU HA . 34647 1 294 . 1 . 1 55 55 LEU HB2 H 1 1.259 0.015 . . . . . . A 55 LEU HB2 . 34647 1 295 . 1 . 1 55 55 LEU HB3 H 1 1.474 0.007 . . . . . . A 55 LEU HB3 . 34647 1 296 . 1 . 1 55 55 LEU HD11 H 1 0.488 0.000 . . . . . . A 55 LEU HD11 . 34647 1 297 . 1 . 1 55 55 LEU HD12 H 1 0.488 0.000 . . . . . . A 55 LEU HD12 . 34647 1 298 . 1 . 1 55 55 LEU HD13 H 1 0.488 0.000 . . . . . . A 55 LEU HD13 . 34647 1 299 . 1 . 1 55 55 LEU HD21 H 1 0.548 0.000 . . . . . . A 55 LEU HD21 . 34647 1 300 . 1 . 1 55 55 LEU HD22 H 1 0.548 0.000 . . . . . . A 55 LEU HD22 . 34647 1 301 . 1 . 1 55 55 LEU HD23 H 1 0.548 0.000 . . . . . . A 55 LEU HD23 . 34647 1 302 . 1 . 1 55 55 LEU CA C 13 57.861 0.000 . . . . . . A 55 LEU CA . 34647 1 303 . 1 . 1 56 56 ASN H H 1 7.888 0.005 . . . . . . A 56 ASN H . 34647 1 304 . 1 . 1 56 56 ASN HA H 1 4.011 0.005 . . . . . . A 56 ASN HA . 34647 1 305 . 1 . 1 56 56 ASN HB2 H 1 2.404 0.003 . . . . . . A 56 ASN HB2 . 34647 1 306 . 1 . 1 56 56 ASN HB3 H 1 2.404 0.003 . . . . . . A 56 ASN HB3 . 34647 1 307 . 1 . 1 56 56 ASN HD21 H 1 7.116 0.003 . . . . . . A 56 ASN HD21 . 34647 1 308 . 1 . 1 56 56 ASN HD22 H 1 6.289 0.003 . . . . . . A 56 ASN HD22 . 34647 1 309 . 1 . 1 56 56 ASN N N 15 114.983 0.000 . . . . . . A 56 ASN N . 34647 1 310 . 1 . 1 56 56 ASN ND2 N 15 110.238 0.010 . . . . . . A 56 ASN ND2 . 34647 1 311 . 1 . 1 57 57 SER H H 1 7.527 0.003 . . . . . . A 57 SER H . 34647 1 312 . 1 . 1 57 57 SER HA H 1 3.893 0.000 . . . . . . A 57 SER HA . 34647 1 313 . 1 . 1 57 57 SER HB2 H 1 3.522 0.002 . . . . . . A 57 SER HB2 . 34647 1 314 . 1 . 1 57 57 SER HB3 H 1 3.522 0.002 . . . . . . A 57 SER HB3 . 34647 1 315 . 1 . 1 57 57 SER CB C 13 63.627 0.000 . . . . . . A 57 SER CB . 34647 1 316 . 1 . 1 57 57 SER N N 15 113.055 0.000 . . . . . . A 57 SER N . 34647 1 317 . 1 . 1 58 58 LEU H H 1 7.250 0.002 . . . . . . A 58 LEU H . 34647 1 318 . 1 . 1 58 58 LEU HA H 1 3.671 0.001 . . . . . . A 58 LEU HA . 34647 1 319 . 1 . 1 58 58 LEU HB2 H 1 1.086 0.002 . . . . . . A 58 LEU HB2 . 34647 1 320 . 1 . 1 58 58 LEU HB3 H 1 1.086 0.002 . . . . . . A 58 LEU HB3 . 34647 1 321 . 1 . 1 58 58 LEU HG H 1 0.773 0.000 . . . . . . A 58 LEU HG . 34647 1 322 . 1 . 1 58 58 LEU HD11 H 1 0.312 0.001 . . . . . . A 58 LEU HD11 . 34647 1 323 . 1 . 1 58 58 LEU HD12 H 1 0.312 0.001 . . . . . . A 58 LEU HD12 . 34647 1 324 . 1 . 1 58 58 LEU HD13 H 1 0.312 0.001 . . . . . . A 58 LEU HD13 . 34647 1 325 . 1 . 1 58 58 LEU HD21 H 1 0.395 0.010 . . . . . . A 58 LEU HD21 . 34647 1 326 . 1 . 1 58 58 LEU HD22 H 1 0.395 0.010 . . . . . . A 58 LEU HD22 . 34647 1 327 . 1 . 1 58 58 LEU HD23 H 1 0.395 0.010 . . . . . . A 58 LEU HD23 . 34647 1 328 . 1 . 1 58 58 LEU CA C 13 57.029 0.000 . . . . . . A 58 LEU CA . 34647 1 329 . 1 . 1 58 58 LEU N N 15 120.091 0.000 . . . . . . A 58 LEU N . 34647 1 330 . 1 . 1 59 59 PHE H H 1 7.186 0.002 . . . . . . A 59 PHE H . 34647 1 331 . 1 . 1 59 59 PHE HA H 1 4.239 0.003 . . . . . . A 59 PHE HA . 34647 1 332 . 1 . 1 59 59 PHE HB2 H 1 2.913 0.002 . . . . . . A 59 PHE HB2 . 34647 1 333 . 1 . 1 59 59 PHE HB3 H 1 2.501 0.001 . . . . . . A 59 PHE HB3 . 34647 1 334 . 1 . 1 59 59 PHE HD1 H 1 6.679 0.002 . . . . . . A 59 PHE HD1 . 34647 1 335 . 1 . 1 59 59 PHE HD2 H 1 6.679 0.002 . . . . . . A 59 PHE HD2 . 34647 1 336 . 1 . 1 59 59 PHE HE1 H 1 6.893 0.002 . . . . . . A 59 PHE HE1 . 34647 1 337 . 1 . 1 59 59 PHE HE2 H 1 6.893 0.002 . . . . . . A 59 PHE HE2 . 34647 1 338 . 1 . 1 59 59 PHE HZ H 1 6.792 0.003 . . . . . . A 59 PHE HZ . 34647 1 339 . 1 . 1 59 59 PHE CA C 13 57.029 0.000 . . . . . . A 59 PHE CA . 34647 1 340 . 1 . 1 59 59 PHE CD1 C 13 129.069 0.000 . . . . . . A 59 PHE CD1 . 34647 1 341 . 1 . 1 59 59 PHE CE2 C 13 132.261 0.000 . . . . . . A 59 PHE CE2 . 34647 1 342 . 1 . 1 59 59 PHE CZ C 13 131.052 0.000 . . . . . . A 59 PHE CZ . 34647 1 343 . 1 . 1 59 59 PHE N N 15 113.302 0.000 . . . . . . A 59 PHE N . 34647 1 344 . 1 . 1 60 60 GLY H H 1 7.539 0.005 . . . . . . A 60 GLY H . 34647 1 345 . 1 . 1 60 60 GLY HA2 H 1 3.585 0.002 . . . . . . A 60 GLY HA2 . 34647 1 346 . 1 . 1 60 60 GLY HA3 H 1 3.585 0.002 . . . . . . A 60 GLY HA3 . 34647 1 347 . 1 . 1 60 60 GLY N N 15 106.164 0.000 . . . . . . A 60 GLY N . 34647 1 348 . 1 . 1 61 61 GLY H H 1 7.718 0.002 . . . . . . A 61 GLY H . 34647 1 349 . 1 . 1 61 61 GLY HA2 H 1 3.550 0.003 . . . . . . A 61 GLY HA2 . 34647 1 350 . 1 . 1 61 61 GLY HA3 H 1 3.550 0.003 . . . . . . A 61 GLY HA3 . 34647 1 351 . 1 . 1 61 61 GLY N N 15 106.682 0.000 . . . . . . A 61 GLY N . 34647 1 352 . 1 . 1 62 62 ASP H H 1 7.854 0.004 . . . . . . A 62 ASP H . 34647 1 353 . 1 . 1 62 62 ASP HA H 1 4.309 0.003 . . . . . . A 62 ASP HA . 34647 1 354 . 1 . 1 62 62 ASP HB2 H 1 2.381 0.000 . . . . . . A 62 ASP HB2 . 34647 1 355 . 1 . 1 62 62 ASP HB3 H 1 2.478 0.000 . . . . . . A 62 ASP HB3 . 34647 1 356 . 1 . 1 62 62 ASP CA C 13 53.377 0.000 . . . . . . A 62 ASP CA . 34647 1 357 . 1 . 1 62 62 ASP N N 15 117.228 0.000 . . . . . . A 62 ASP N . 34647 1 358 . 1 . 1 63 63 GLN H H 1 7.611 0.002 . . . . . . A 63 GLN H . 34647 1 359 . 1 . 1 63 63 GLN HA H 1 3.622 0.000 . . . . . . A 63 GLN HA . 34647 1 stop_ save_