data_51331 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51331 _Entry.Title ; Solid-state NMR 13C and 15N resonance assignment of Vibrio sp. SemiSWEET transporter in lipid bilayers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-17 _Entry.Accession_date 2022-02-17 _Entry.Last_release_date 2022-02-17 _Entry.Original_release_date 2022-02-17 _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 solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Yan Zhang . . . . 51331 2 Jun Yang . . . . 51331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 51331 '15N chemical shifts' 91 51331 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 . . 2022-05-31 . original BMRB . 51331 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51331 _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 ; Solid-state NMR 13C and 15N resonance assignment of Vibrio sp. SemiSWEET transporter in lipid bilayers ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 Yan Zhang . . . . 51331 1 2 Jun Yang . . . . 51331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51331 _Assembly.ID 1 _Assembly.Name 'VsSemiSWEET homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'VsSemiSWEET, subunit 1' 1 $entity_1 . . yes native no no . . . 51331 1 2 'VsSemiSWEET, subunit 2' 1 $entity_1 . . yes native no no . . . 51331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51331 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MALIERIGKALEPLMLVMGL ISPLATMPQLYKLYVSHSEH ALGLSLTTWLLYSFIALLWT IYGIYHKNPTIWVGNCLGFL MYVAMVVGIIAHTGGTY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . MET . 51331 1 2 . ALA . 51331 1 3 . LEU . 51331 1 4 . ILE . 51331 1 5 . GLU . 51331 1 6 . ARG . 51331 1 7 . ILE . 51331 1 8 . GLY . 51331 1 9 . LYS . 51331 1 10 . ALA . 51331 1 11 . LEU . 51331 1 12 . GLU . 51331 1 13 . PRO . 51331 1 14 . LEU . 51331 1 15 . MET . 51331 1 16 . LEU . 51331 1 17 . VAL . 51331 1 18 . MET . 51331 1 19 . GLY . 51331 1 20 . LEU . 51331 1 21 . ILE . 51331 1 22 . SER . 51331 1 23 . PRO . 51331 1 24 . LEU . 51331 1 25 . ALA . 51331 1 26 . THR . 51331 1 27 . MET . 51331 1 28 . PRO . 51331 1 29 . GLN . 51331 1 30 . LEU . 51331 1 31 . TYR . 51331 1 32 . LYS . 51331 1 33 . LEU . 51331 1 34 . TYR . 51331 1 35 . VAL . 51331 1 36 . SER . 51331 1 37 . HIS . 51331 1 38 . SER . 51331 1 39 . GLU . 51331 1 40 . HIS . 51331 1 41 . ALA . 51331 1 42 . LEU . 51331 1 43 . GLY . 51331 1 44 . LEU . 51331 1 45 . SER . 51331 1 46 . LEU . 51331 1 47 . THR . 51331 1 48 . THR . 51331 1 49 . TRP . 51331 1 50 . LEU . 51331 1 51 . LEU . 51331 1 52 . TYR . 51331 1 53 . SER . 51331 1 54 . PHE . 51331 1 55 . ILE . 51331 1 56 . ALA . 51331 1 57 . LEU . 51331 1 58 . LEU . 51331 1 59 . TRP . 51331 1 60 . THR . 51331 1 61 . ILE . 51331 1 62 . TYR . 51331 1 63 . GLY . 51331 1 64 . ILE . 51331 1 65 . TYR . 51331 1 66 . HIS . 51331 1 67 . LYS . 51331 1 68 . ASN . 51331 1 69 . PRO . 51331 1 70 . THR . 51331 1 71 . ILE . 51331 1 72 . TRP . 51331 1 73 . VAL . 51331 1 74 . GLY . 51331 1 75 . ASN . 51331 1 76 . CYS . 51331 1 77 . LEU . 51331 1 78 . GLY . 51331 1 79 . PHE . 51331 1 80 . LEU . 51331 1 81 . MET . 51331 1 82 . TYR . 51331 1 83 . VAL . 51331 1 84 . ALA . 51331 1 85 . MET . 51331 1 86 . VAL . 51331 1 87 . VAL . 51331 1 88 . GLY . 51331 1 89 . ILE . 51331 1 90 . ILE . 51331 1 91 . ALA . 51331 1 92 . HIS . 51331 1 93 . THR . 51331 1 94 . GLY . 51331 1 95 . GLY . 51331 1 96 . THR . 51331 1 97 . TYR . 51331 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 . MET 1 1 51331 1 . ALA 2 2 51331 1 . LEU 3 3 51331 1 . ILE 4 4 51331 1 . GLU 5 5 51331 1 . ARG 6 6 51331 1 . ILE 7 7 51331 1 . GLY 8 8 51331 1 . LYS 9 9 51331 1 . ALA 10 10 51331 1 . LEU 11 11 51331 1 . GLU 12 12 51331 1 . PRO 13 13 51331 1 . LEU 14 14 51331 1 . MET 15 15 51331 1 . LEU 16 16 51331 1 . VAL 17 17 51331 1 . MET 18 18 51331 1 . GLY 19 19 51331 1 . LEU 20 20 51331 1 . ILE 21 21 51331 1 . SER 22 22 51331 1 . PRO 23 23 51331 1 . LEU 24 24 51331 1 . ALA 25 25 51331 1 . THR 26 26 51331 1 . MET 27 27 51331 1 . PRO 28 28 51331 1 . GLN 29 29 51331 1 . LEU 30 30 51331 1 . TYR 31 31 51331 1 . LYS 32 32 51331 1 . LEU 33 33 51331 1 . TYR 34 34 51331 1 . VAL 35 35 51331 1 . SER 36 36 51331 1 . HIS 37 37 51331 1 . SER 38 38 51331 1 . GLU 39 39 51331 1 . HIS 40 40 51331 1 . ALA 41 41 51331 1 . LEU 42 42 51331 1 . GLY 43 43 51331 1 . LEU 44 44 51331 1 . SER 45 45 51331 1 . LEU 46 46 51331 1 . THR 47 47 51331 1 . THR 48 48 51331 1 . TRP 49 49 51331 1 . LEU 50 50 51331 1 . LEU 51 51 51331 1 . TYR 52 52 51331 1 . SER 53 53 51331 1 . PHE 54 54 51331 1 . ILE 55 55 51331 1 . ALA 56 56 51331 1 . LEU 57 57 51331 1 . LEU 58 58 51331 1 . TRP 59 59 51331 1 . THR 60 60 51331 1 . ILE 61 61 51331 1 . TYR 62 62 51331 1 . GLY 63 63 51331 1 . ILE 64 64 51331 1 . TYR 65 65 51331 1 . HIS 66 66 51331 1 . LYS 67 67 51331 1 . ASN 68 68 51331 1 . PRO 69 69 51331 1 . THR 70 70 51331 1 . ILE 71 71 51331 1 . TRP 72 72 51331 1 . VAL 73 73 51331 1 . GLY 74 74 51331 1 . ASN 75 75 51331 1 . CYS 76 76 51331 1 . LEU 77 77 51331 1 . GLY 78 78 51331 1 . PHE 79 79 51331 1 . LEU 80 80 51331 1 . MET 81 81 51331 1 . TYR 82 82 51331 1 . VAL 83 83 51331 1 . ALA 84 84 51331 1 . MET 85 85 51331 1 . VAL 86 86 51331 1 . VAL 87 87 51331 1 . GLY 88 88 51331 1 . ILE 89 89 51331 1 . ILE 90 90 51331 1 . ALA 91 91 51331 1 . HIS 92 92 51331 1 . THR 93 93 51331 1 . GLY 94 94 51331 1 . GLY 95 95 51331 1 . THR 96 96 51331 1 . TYR 97 97 51331 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51331 _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 . 678 organism . 'Vibrio sp.' 'Vibrio sp.' . . Bacteria . Vibrio 'Vibrio sp.' . . . . . . . . . . . . . 51331 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51331 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 51331 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51331 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '30% H2O' _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 H2O 'natural abundance' . . . . . . 30 . . '% w/w' . . . . 51331 1 2 'the artificially extracted E.coli lipid' 'natural abundance' . . . . . . 28 . . '% w/w' . . . . 51331 1 3 VsSemiSWEET '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 42 . . '% w/w' . . . . 51331 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 51331 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample Condition 1' _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 pH 8.0 0.3 pH 51331 1 pressure 1 0.01 atm 51331 1 temperature 277 3 K 51331 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51331 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51331 1 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 51331 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'ssNMR spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51331 _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 NCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 1 2 '2D DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 1 3 '3D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 1 4 '3D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 1 5 '3D CONCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 1 6 '3D NCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51331 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 51331 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference 1' _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 C 13 adamantane 'methyl carbon' . . . . ppm 40.48 internal direct 1 . . . . . 51331 1 N 15 'liquid NH3' nitrogen . . . . ppm 0 external direct 1 . . . . . 51331 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 51331 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'VsSemiSWEET chemical shift' _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 3 '3D NCACX' . . . 51331 1 4 '3D NCOCX' . . . 51331 1 5 '3D CONCA' . . . 51331 1 6 '3D NCACB' . . . 51331 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51331 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 6 6 ARG CZ C 13 159.7 0.3 . 1 . . . . . 6 ARG CZ . 51331 1 2 . 1 . 1 6 6 ARG NE N 15 84.9 0.3 . 1 . . . . . 6 ARG NE . 51331 1 3 . 1 . 1 6 6 ARG NH1 N 15 73.1 0.3 . 2 . . . . . 6 ARG NH1 . 51331 1 4 . 1 . 1 7 7 ILE C C 13 177.3 0.3 . 1 . . . . . 7 ILE C . 51331 1 5 . 1 . 1 7 7 ILE CA C 13 64.7 0.3 . 1 . . . . . 7 ILE CA . 51331 1 6 . 1 . 1 7 7 ILE CB C 13 38.1 0.3 . 1 . . . . . 7 ILE CB . 51331 1 7 . 1 . 1 7 7 ILE CG1 C 13 29.2 0.3 . 1 . . . . . 7 ILE CG1 . 51331 1 8 . 1 . 1 7 7 ILE CG2 C 13 17.8 0.3 . 1 . . . . . 7 ILE CG2 . 51331 1 9 . 1 . 1 7 7 ILE CD1 C 13 13.9 0.3 . 1 . . . . . 7 ILE CD1 . 51331 1 10 . 1 . 1 7 7 ILE N N 15 119.1 0.3 . 1 . . . . . 7 ILE N . 51331 1 11 . 1 . 1 8 8 GLY C C 13 179.3 0.3 . 1 . . . . . 8 GLY C . 51331 1 12 . 1 . 1 8 8 GLY CA C 13 48.1 0.3 . 1 . . . . . 8 GLY CA . 51331 1 13 . 1 . 1 8 8 GLY N N 15 107.3 0.3 . 1 . . . . . 8 GLY N . 51331 1 14 . 1 . 1 9 9 LYS C C 13 179.3 0.3 . 1 . . . . . 9 LYS C . 51331 1 15 . 1 . 1 9 9 LYS CA C 13 59.1 0.3 . 1 . . . . . 9 LYS CA . 51331 1 16 . 1 . 1 9 9 LYS CB C 13 32.7 0.3 . 1 . . . . . 9 LYS CB . 51331 1 17 . 1 . 1 9 9 LYS CG C 13 25.1 0.3 . 1 . . . . . 9 LYS CG . 51331 1 18 . 1 . 1 9 9 LYS CD C 13 29.5 0.3 . 1 . . . . . 9 LYS CD . 51331 1 19 . 1 . 1 9 9 LYS N N 15 119.2 0.3 . 1 . . . . . 9 LYS N . 51331 1 20 . 1 . 1 10 10 ALA C C 13 178.6 0.3 . 1 . . . . . 10 ALA C . 51331 1 21 . 1 . 1 10 10 ALA CA C 13 53.9 0.3 . 1 . . . . . 10 ALA CA . 51331 1 22 . 1 . 1 10 10 ALA CB C 13 18.6 0.3 . 1 . . . . . 10 ALA CB . 51331 1 23 . 1 . 1 10 10 ALA N N 15 121.1 0.3 . 1 . . . . . 10 ALA N . 51331 1 24 . 1 . 1 11 11 LEU CA C 13 57.4 0.3 . 1 . . . . . 11 LEU CA . 51331 1 25 . 1 . 1 11 11 LEU CB C 13 41.0 0.3 . 1 . . . . . 11 LEU CB . 51331 1 26 . 1 . 1 11 11 LEU N N 15 113.8 0.3 . 1 . . . . . 11 LEU N . 51331 1 27 . 1 . 1 12 12 GLU CA C 13 58.8 0.3 . 1 . . . . . 12 GLU CA . 51331 1 28 . 1 . 1 12 12 GLU CB C 13 29.1 0.3 . 1 . . . . . 12 GLU CB . 51331 1 29 . 1 . 1 12 12 GLU CG C 13 36.1 0.3 . 1 . . . . . 12 GLU CG . 51331 1 30 . 1 . 1 12 12 GLU CD C 13 182.9 0.3 . 1 . . . . . 12 GLU CD . 51331 1 31 . 1 . 1 12 12 GLU N N 15 120.2 0.3 . 1 . . . . . 12 GLU N . 51331 1 32 . 1 . 1 18 18 MET C C 13 179.6 0.3 . 1 . . . . . 18 MET C . 51331 1 33 . 1 . 1 18 18 MET CA C 13 57.4 0.3 . 1 . . . . . 18 MET CA . 51331 1 34 . 1 . 1 18 18 MET CB C 13 31.4 0.3 . 1 . . . . . 18 MET CB . 51331 1 35 . 1 . 1 19 19 GLY C C 13 175.2 0.3 . 1 . . . . . 19 GLY C . 51331 1 36 . 1 . 1 19 19 GLY CA C 13 46.8 0.3 . 1 . . . . . 19 GLY CA . 51331 1 37 . 1 . 1 19 19 GLY N N 15 107.4 0.3 . 1 . . . . . 19 GLY N . 51331 1 38 . 1 . 1 20 20 LEU C C 13 177.3 0.3 . 1 . . . . . 20 LEU C . 51331 1 39 . 1 . 1 20 20 LEU CA C 13 57.6 0.3 . 1 . . . . . 20 LEU CA . 51331 1 40 . 1 . 1 20 20 LEU CB C 13 40.1 0.3 . 1 . . . . . 20 LEU CB . 51331 1 41 . 1 . 1 20 20 LEU N N 15 117.6 0.3 . 1 . . . . . 20 LEU N . 51331 1 42 . 1 . 1 21 21 ILE C C 13 178.7 0.3 . 1 . . . . . 21 ILE C . 51331 1 43 . 1 . 1 21 21 ILE CA C 13 64.8 0.3 . 1 . . . . . 21 ILE CA . 51331 1 44 . 1 . 1 21 21 ILE CB C 13 39.8 0.3 . 1 . . . . . 21 ILE CB . 51331 1 45 . 1 . 1 21 21 ILE CG2 C 13 18.0 0.3 . 1 . . . . . 21 ILE CG2 . 51331 1 46 . 1 . 1 21 21 ILE CD1 C 13 14.2 0.3 . 1 . . . . . 21 ILE CD1 . 51331 1 47 . 1 . 1 21 21 ILE N N 15 115.9 0.3 . 1 . . . . . 21 ILE N . 51331 1 48 . 1 . 1 22 22 SER C C 13 175.7 0.3 . 1 . . . . . 22 SER C . 51331 1 49 . 1 . 1 22 22 SER CA C 13 55.3 0.3 . 1 . . . . . 22 SER CA . 51331 1 50 . 1 . 1 22 22 SER CB C 13 62.6 0.3 . 1 . . . . . 22 SER CB . 51331 1 51 . 1 . 1 22 22 SER N N 15 113.8 0.3 . 1 . . . . . 22 SER N . 51331 1 52 . 1 . 1 23 23 PRO C C 13 178.6 0.3 . 1 . . . . . 23 PRO C . 51331 1 53 . 1 . 1 23 23 PRO CA C 13 64.6 0.3 . 1 . . . . . 23 PRO CA . 51331 1 54 . 1 . 1 23 23 PRO CB C 13 31.4 0.3 . 1 . . . . . 23 PRO CB . 51331 1 55 . 1 . 1 23 23 PRO CG C 13 27.9 0.3 . 1 . . . . . 23 PRO CG . 51331 1 56 . 1 . 1 23 23 PRO CD C 13 49.9 0.3 . 1 . . . . . 23 PRO CD . 51331 1 57 . 1 . 1 23 23 PRO N N 15 133.6 0.3 . 1 . . . . . 23 PRO N . 51331 1 58 . 1 . 1 24 24 LEU C C 13 179.0 0.3 . 1 . . . . . 24 LEU C . 51331 1 59 . 1 . 1 24 24 LEU CA C 13 58.3 0.3 . 1 . . . . . 24 LEU CA . 51331 1 60 . 1 . 1 24 24 LEU CB C 13 41.4 0.3 . 1 . . . . . 24 LEU CB . 51331 1 61 . 1 . 1 24 24 LEU N N 15 117.6 0.3 . 1 . . . . . 24 LEU N . 51331 1 62 . 1 . 1 25 25 ALA C C 13 177.5 0.3 . 1 . . . . . 25 ALA C . 51331 1 63 . 1 . 1 25 25 ALA CA C 13 53.6 0.3 . 1 . . . . . 25 ALA CA . 51331 1 64 . 1 . 1 25 25 ALA CB C 13 19.9 0.3 . 1 . . . . . 25 ALA CB . 51331 1 65 . 1 . 1 25 25 ALA N N 15 118.8 0.3 . 1 . . . . . 25 ALA N . 51331 1 66 . 1 . 1 26 26 THR C C 13 174.8 0.3 . 1 . . . . . 26 THR C . 51331 1 67 . 1 . 1 26 26 THR CA C 13 64.1 0.3 . 1 . . . . . 26 THR CA . 51331 1 68 . 1 . 1 26 26 THR CB C 13 68.6 0.3 . 1 . . . . . 26 THR CB . 51331 1 69 . 1 . 1 26 26 THR CG2 C 13 22.4 0.3 . 1 . . . . . 26 THR CG2 . 51331 1 70 . 1 . 1 26 26 THR N N 15 114.2 0.3 . 1 . . . . . 26 THR N . 51331 1 71 . 1 . 1 27 27 MET C C 13 175.1 0.3 . 1 . . . . . 27 MET C . 51331 1 72 . 1 . 1 27 27 MET CA C 13 61.5 0.3 . 1 . . . . . 27 MET CA . 51331 1 73 . 1 . 1 27 27 MET CB C 13 33.5 0.3 . 1 . . . . . 27 MET CB . 51331 1 74 . 1 . 1 27 27 MET CG C 13 30.3 0.3 . 1 . . . . . 27 MET CG . 51331 1 75 . 1 . 1 27 27 MET N N 15 121.2 0.3 . 1 . . . . . 27 MET N . 51331 1 76 . 1 . 1 28 28 PRO C C 13 177.7 0.3 . 1 . . . . . 28 PRO C . 51331 1 77 . 1 . 1 28 28 PRO CA C 13 66.1 0.3 . 1 . . . . . 28 PRO CA . 51331 1 78 . 1 . 1 28 28 PRO CB C 13 30.1 0.3 . 1 . . . . . 28 PRO CB . 51331 1 79 . 1 . 1 28 28 PRO CG C 13 28.4 0.3 . 1 . . . . . 28 PRO CG . 51331 1 80 . 1 . 1 28 28 PRO CD C 13 48.9 0.3 . 1 . . . . . 28 PRO CD . 51331 1 81 . 1 . 1 28 28 PRO N N 15 133.8 0.3 . 1 . . . . . 28 PRO N . 51331 1 82 . 1 . 1 29 29 GLN C C 13 178.7 0.3 . 1 . . . . . 29 GLN C . 51331 1 83 . 1 . 1 29 29 GLN CA C 13 57.8 0.3 . 1 . . . . . 29 GLN CA . 51331 1 84 . 1 . 1 29 29 GLN CB C 13 29.3 0.3 . 1 . . . . . 29 GLN CB . 51331 1 85 . 1 . 1 29 29 GLN CG C 13 36.5 0.3 . 1 . . . . . 29 GLN CG . 51331 1 86 . 1 . 1 29 29 GLN N N 15 117.1 0.3 . 1 . . . . . 29 GLN N . 51331 1 87 . 1 . 1 30 30 LEU C C 13 178.2 0.3 . 1 . . . . . 30 LEU C . 51331 1 88 . 1 . 1 30 30 LEU CA C 13 58.2 0.3 . 1 . . . . . 30 LEU CA . 51331 1 89 . 1 . 1 30 30 LEU CB C 13 43.0 0.3 . 1 . . . . . 30 LEU CB . 51331 1 90 . 1 . 1 30 30 LEU N N 15 124.3 0.3 . 1 . . . . . 30 LEU N . 51331 1 91 . 1 . 1 31 31 TYR C C 13 178.6 0.3 . 1 . . . . . 31 TYR C . 51331 1 92 . 1 . 1 31 31 TYR CA C 13 62.6 0.3 . 1 . . . . . 31 TYR CA . 51331 1 93 . 1 . 1 31 31 TYR CB C 13 38.9 0.3 . 1 . . . . . 31 TYR CB . 51331 1 94 . 1 . 1 31 31 TYR N N 15 120.9 0.3 . 1 . . . . . 31 TYR N . 51331 1 95 . 1 . 1 32 32 LYS C C 13 178.1 0.3 . 1 . . . . . 32 LYS C . 51331 1 96 . 1 . 1 32 32 LYS CA C 13 60.6 0.3 . 1 . . . . . 32 LYS CA . 51331 1 97 . 1 . 1 32 32 LYS CB C 13 34.8 0.3 . 1 . . . . . 32 LYS CB . 51331 1 98 . 1 . 1 32 32 LYS CG C 13 28.1 0.3 . 1 . . . . . 32 LYS CG . 51331 1 99 . 1 . 1 32 32 LYS CD C 13 31.0 0.3 . 1 . . . . . 32 LYS CD . 51331 1 100 . 1 . 1 32 32 LYS CE C 13 41.2 0.3 . 1 . . . . . 32 LYS CE . 51331 1 101 . 1 . 1 32 32 LYS N N 15 120.4 0.3 . 1 . . . . . 32 LYS N . 51331 1 102 . 1 . 1 32 32 LYS NZ N 15 35.0 0.3 . 1 . . . . . 32 LYS NZ . 51331 1 103 . 1 . 1 33 33 LEU C C 13 177.1 0.3 . 1 . . . . . 33 LEU C . 51331 1 104 . 1 . 1 33 33 LEU CA C 13 56.8 0.3 . 1 . . . . . 33 LEU CA . 51331 1 105 . 1 . 1 33 33 LEU CB C 13 42.8 0.3 . 1 . . . . . 33 LEU CB . 51331 1 106 . 1 . 1 33 33 LEU CG C 13 28.2 0.3 . 1 . . . . . 33 LEU CG . 51331 1 107 . 1 . 1 33 33 LEU CD1 C 13 26.8 0.3 . 2 . . . . . 33 LEU CD1 . 51331 1 108 . 1 . 1 33 33 LEU CD2 C 13 21.9 0.3 . 2 . . . . . 33 LEU CD2 . 51331 1 109 . 1 . 1 33 33 LEU N N 15 117.0 0.3 . 1 . . . . . 33 LEU N . 51331 1 110 . 1 . 1 34 34 TYR C C 13 177.3 0.3 . 1 . . . . . 34 TYR C . 51331 1 111 . 1 . 1 34 34 TYR CA C 13 61.0 0.3 . 1 . . . . . 34 TYR CA . 51331 1 112 . 1 . 1 34 34 TYR CB C 13 40.1 0.3 . 1 . . . . . 34 TYR CB . 51331 1 113 . 1 . 1 34 34 TYR N N 15 110.9 0.3 . 1 . . . . . 34 TYR N . 51331 1 114 . 1 . 1 35 35 VAL C C 13 177.7 0.3 . 1 . . . . . 35 VAL C . 51331 1 115 . 1 . 1 35 35 VAL CA C 13 64.0 0.3 . 1 . . . . . 35 VAL CA . 51331 1 116 . 1 . 1 35 35 VAL CB C 13 33.2 0.3 . 1 . . . . . 35 VAL CB . 51331 1 117 . 1 . 1 35 35 VAL CG1 C 13 21.5 0.3 . 2 . . . . . 35 VAL CG1 . 51331 1 118 . 1 . 1 35 35 VAL CG2 C 13 21.0 0.3 . 2 . . . . . 35 VAL CG2 . 51331 1 119 . 1 . 1 35 35 VAL N N 15 117.4 0.3 . 1 . . . . . 35 VAL N . 51331 1 120 . 1 . 1 36 36 SER C C 13 176.3 0.3 . 1 . . . . . 36 SER C . 51331 1 121 . 1 . 1 36 36 SER CA C 13 61.3 0.3 . 1 . . . . . 36 SER CA . 51331 1 122 . 1 . 1 36 36 SER CB C 13 65.0 0.3 . 1 . . . . . 36 SER CB . 51331 1 123 . 1 . 1 36 36 SER N N 15 113.2 0.3 . 1 . . . . . 36 SER N . 51331 1 124 . 1 . 1 37 37 HIS C C 13 177.5 0.3 . 1 . . . . . 37 HIS C . 51331 1 125 . 1 . 1 37 37 HIS CA C 13 56.5 0.3 . 1 . . . . . 37 HIS CA . 51331 1 126 . 1 . 1 37 37 HIS CB C 13 31.0 0.3 . 1 . . . . . 37 HIS CB . 51331 1 127 . 1 . 1 37 37 HIS N N 15 124.6 0.3 . 1 . . . . . 37 HIS N . 51331 1 128 . 1 . 1 38 38 SER C C 13 176.5 0.3 . 1 . . . . . 38 SER C . 51331 1 129 . 1 . 1 38 38 SER CA C 13 61.6 0.3 . 1 . . . . . 38 SER CA . 51331 1 130 . 1 . 1 38 38 SER CB C 13 62.6 0.3 . 1 . . . . . 38 SER CB . 51331 1 131 . 1 . 1 38 38 SER N N 15 118.9 0.3 . 1 . . . . . 38 SER N . 51331 1 132 . 1 . 1 39 39 GLU C C 13 177.4 0.3 . 1 . . . . . 39 GLU C . 51331 1 133 . 1 . 1 39 39 GLU CA C 13 57.5 0.3 . 1 . . . . . 39 GLU CA . 51331 1 134 . 1 . 1 39 39 GLU CB C 13 27.2 0.3 . 1 . . . . . 39 GLU CB . 51331 1 135 . 1 . 1 39 39 GLU CG C 13 34.6 0.3 . 1 . . . . . 39 GLU CG . 51331 1 136 . 1 . 1 39 39 GLU CD C 13 183.6 0.3 . 1 . . . . . 39 GLU CD . 51331 1 137 . 1 . 1 39 39 GLU N N 15 120.6 0.3 . 1 . . . . . 39 GLU N . 51331 1 138 . 1 . 1 40 40 HIS C C 13 174.7 0.3 . 1 . . . . . 40 HIS C . 51331 1 139 . 1 . 1 40 40 HIS CA C 13 55.2 0.3 . 1 . . . . . 40 HIS CA . 51331 1 140 . 1 . 1 40 40 HIS CB C 13 30.7 0.3 . 1 . . . . . 40 HIS CB . 51331 1 141 . 1 . 1 40 40 HIS N N 15 120.0 0.3 . 1 . . . . . 40 HIS N . 51331 1 142 . 1 . 1 41 41 ALA C C 13 177.7 0.3 . 1 . . . . . 41 ALA C . 51331 1 143 . 1 . 1 41 41 ALA CA C 13 55.0 0.3 . 1 . . . . . 41 ALA CA . 51331 1 144 . 1 . 1 41 41 ALA CB C 13 19.9 0.3 . 1 . . . . . 41 ALA CB . 51331 1 145 . 1 . 1 41 41 ALA N N 15 124.7 0.3 . 1 . . . . . 41 ALA N . 51331 1 146 . 1 . 1 42 42 LEU C C 13 178.1 0.3 . 1 . . . . . 42 LEU C . 51331 1 147 . 1 . 1 42 42 LEU CA C 13 56.3 0.3 . 1 . . . . . 42 LEU CA . 51331 1 148 . 1 . 1 42 42 LEU CB C 13 42.7 0.3 . 1 . . . . . 42 LEU CB . 51331 1 149 . 1 . 1 42 42 LEU CG C 13 27.1 0.3 . 1 . . . . . 42 LEU CG . 51331 1 150 . 1 . 1 42 42 LEU CD1 C 13 24.6 0.3 . 2 . . . . . 42 LEU CD1 . 51331 1 151 . 1 . 1 42 42 LEU CD2 C 13 24.2 0.3 . 2 . . . . . 42 LEU CD2 . 51331 1 152 . 1 . 1 42 42 LEU N N 15 115.1 0.3 . 1 . . . . . 42 LEU N . 51331 1 153 . 1 . 1 43 43 GLY C C 13 173.4 0.3 . 1 . . . . . 43 GLY C . 51331 1 154 . 1 . 1 43 43 GLY CA C 13 46.0 0.3 . 1 . . . . . 43 GLY CA . 51331 1 155 . 1 . 1 43 43 GLY N N 15 103.8 0.3 . 1 . . . . . 43 GLY N . 51331 1 156 . 1 . 1 44 44 LEU C C 13 176.9 0.3 . 1 . . . . . 44 LEU C . 51331 1 157 . 1 . 1 44 44 LEU CA C 13 53.9 0.3 . 1 . . . . . 44 LEU CA . 51331 1 158 . 1 . 1 44 44 LEU CB C 13 42.4 0.3 . 1 . . . . . 44 LEU CB . 51331 1 159 . 1 . 1 44 44 LEU CG C 13 28.2 0.3 . 1 . . . . . 44 LEU CG . 51331 1 160 . 1 . 1 44 44 LEU CD1 C 13 27.0 0.3 . 2 . . . . . 44 LEU CD1 . 51331 1 161 . 1 . 1 44 44 LEU CD2 C 13 24.6 0.3 . 2 . . . . . 44 LEU CD2 . 51331 1 162 . 1 . 1 44 44 LEU N N 15 120.6 0.3 . 1 . . . . . 44 LEU N . 51331 1 163 . 1 . 1 45 45 SER C C 13 175.0 0.3 . 1 . . . . . 45 SER C . 51331 1 164 . 1 . 1 45 45 SER CA C 13 53.5 0.3 . 1 . . . . . 45 SER CA . 51331 1 165 . 1 . 1 45 45 SER CB C 13 62.8 0.3 . 1 . . . . . 45 SER CB . 51331 1 166 . 1 . 1 45 45 SER N N 15 112.4 0.3 . 1 . . . . . 45 SER N . 51331 1 167 . 1 . 1 46 46 LEU C C 13 177.5 0.3 . 1 . . . . . 46 LEU C . 51331 1 168 . 1 . 1 46 46 LEU CA C 13 58.8 0.3 . 1 . . . . . 46 LEU CA . 51331 1 169 . 1 . 1 46 46 LEU CB C 13 42.4 0.3 . 1 . . . . . 46 LEU CB . 51331 1 170 . 1 . 1 46 46 LEU CG C 13 27.6 0.3 . 1 . . . . . 46 LEU CG . 51331 1 171 . 1 . 1 46 46 LEU CD1 C 13 26.1 0.3 . 2 . . . . . 46 LEU CD1 . 51331 1 172 . 1 . 1 46 46 LEU CD2 C 13 25.7 0.3 . 2 . . . . . 46 LEU CD2 . 51331 1 173 . 1 . 1 46 46 LEU N N 15 133.9 0.3 . 1 . . . . . 46 LEU N . 51331 1 174 . 1 . 1 47 47 THR C C 13 176.1 0.3 . 1 . . . . . 47 THR C . 51331 1 175 . 1 . 1 47 47 THR CA C 13 68.6 0.3 . 1 . . . . . 47 THR CA . 51331 1 176 . 1 . 1 47 47 THR CB C 13 67.9 0.3 . 1 . . . . . 47 THR CB . 51331 1 177 . 1 . 1 47 47 THR CG2 C 13 22.0 0.3 . 1 . . . . . 47 THR CG2 . 51331 1 178 . 1 . 1 47 47 THR N N 15 115.3 0.3 . 1 . . . . . 47 THR N . 51331 1 179 . 1 . 1 48 48 THR C C 13 174.5 0.3 . 1 . . . . . 48 THR C . 51331 1 180 . 1 . 1 48 48 THR CA C 13 67.5 0.3 . 1 . . . . . 48 THR CA . 51331 1 181 . 1 . 1 48 48 THR CB C 13 69.6 0.3 . 1 . . . . . 48 THR CB . 51331 1 182 . 1 . 1 48 48 THR CG2 C 13 21.7 0.3 . 1 . . . . . 48 THR CG2 . 51331 1 183 . 1 . 1 48 48 THR N N 15 119.2 0.3 . 1 . . . . . 48 THR N . 51331 1 184 . 1 . 1 49 49 TRP C C 13 178.9 0.3 . 1 . . . . . 49 TRP C . 51331 1 185 . 1 . 1 49 49 TRP CA C 13 61.2 0.3 . 1 . . . . . 49 TRP CA . 51331 1 186 . 1 . 1 49 49 TRP CB C 13 27.7 0.3 . 1 . . . . . 49 TRP CB . 51331 1 187 . 1 . 1 49 49 TRP N N 15 118.9 0.3 . 1 . . . . . 49 TRP N . 51331 1 188 . 1 . 1 50 50 LEU C C 13 178.3 0.3 . 1 . . . . . 50 LEU C . 51331 1 189 . 1 . 1 50 50 LEU CA C 13 58.2 0.3 . 1 . . . . . 50 LEU CA . 51331 1 190 . 1 . 1 50 50 LEU CB C 13 42.8 0.3 . 1 . . . . . 50 LEU CB . 51331 1 191 . 1 . 1 50 50 LEU CG C 13 27.4 0.3 . 1 . . . . . 50 LEU CG . 51331 1 192 . 1 . 1 50 50 LEU CD1 C 13 25.9 0.3 . 2 . . . . . 50 LEU CD1 . 51331 1 193 . 1 . 1 50 50 LEU N N 15 123.9 0.3 . 1 . . . . . 50 LEU N . 51331 1 194 . 1 . 1 51 51 LEU C C 13 178.8 0.3 . 1 . . . . . 51 LEU C . 51331 1 195 . 1 . 1 51 51 LEU CA C 13 57.7 0.3 . 1 . . . . . 51 LEU CA . 51331 1 196 . 1 . 1 51 51 LEU CB C 13 41.6 0.3 . 1 . . . . . 51 LEU CB . 51331 1 197 . 1 . 1 51 51 LEU CG C 13 26.4 0.3 . 1 . . . . . 51 LEU CG . 51331 1 198 . 1 . 1 51 51 LEU CD1 C 13 22.8 0.3 . 2 . . . . . 51 LEU CD1 . 51331 1 199 . 1 . 1 51 51 LEU N N 15 115.9 0.3 . 1 . . . . . 51 LEU N . 51331 1 200 . 1 . 1 52 52 TYR C C 13 179.9 0.3 . 1 . . . . . 52 TYR C . 51331 1 201 . 1 . 1 52 52 TYR CA C 13 63.6 0.3 . 1 . . . . . 52 TYR CA . 51331 1 202 . 1 . 1 52 52 TYR CB C 13 40.1 0.3 . 1 . . . . . 52 TYR CB . 51331 1 203 . 1 . 1 52 52 TYR N N 15 116.9 0.3 . 1 . . . . . 52 TYR N . 51331 1 204 . 1 . 1 53 53 SER C C 13 174.9 0.3 . 1 . . . . . 53 SER C . 51331 1 205 . 1 . 1 53 53 SER CA C 13 63.7 0.3 . 1 . . . . . 53 SER CA . 51331 1 206 . 1 . 1 53 53 SER CB C 13 63.0 0.3 . 1 . . . . . 53 SER CB . 51331 1 207 . 1 . 1 53 53 SER N N 15 117.0 0.3 . 1 . . . . . 53 SER N . 51331 1 208 . 1 . 1 54 54 PHE C C 13 176.8 0.3 . 1 . . . . . 54 PHE C . 51331 1 209 . 1 . 1 54 54 PHE CA C 13 60.6 0.3 . 1 . . . . . 54 PHE CA . 51331 1 210 . 1 . 1 54 54 PHE CB C 13 39.3 0.3 . 1 . . . . . 54 PHE CB . 51331 1 211 . 1 . 1 54 54 PHE N N 15 123.3 0.3 . 1 . . . . . 54 PHE N . 51331 1 212 . 1 . 1 55 55 ILE C C 13 177.3 0.3 . 1 . . . . . 55 ILE C . 51331 1 213 . 1 . 1 55 55 ILE CA C 13 65.8 0.3 . 1 . . . . . 55 ILE CA . 51331 1 214 . 1 . 1 55 55 ILE CB C 13 38.8 0.3 . 1 . . . . . 55 ILE CB . 51331 1 215 . 1 . 1 55 55 ILE CG1 C 13 29.6 0.3 . 1 . . . . . 55 ILE CG1 . 51331 1 216 . 1 . 1 55 55 ILE CG2 C 13 18.1 0.3 . 1 . . . . . 55 ILE CG2 . 51331 1 217 . 1 . 1 55 55 ILE CD1 C 13 13.7 0.3 . 1 . . . . . 55 ILE CD1 . 51331 1 218 . 1 . 1 55 55 ILE N N 15 120.1 0.3 . 1 . . . . . 55 ILE N . 51331 1 219 . 1 . 1 56 56 ALA C C 13 181.8 0.3 . 1 . . . . . 56 ALA C . 51331 1 220 . 1 . 1 56 56 ALA CA C 13 55.2 0.3 . 1 . . . . . 56 ALA CA . 51331 1 221 . 1 . 1 56 56 ALA CB C 13 18.2 0.3 . 1 . . . . . 56 ALA CB . 51331 1 222 . 1 . 1 56 56 ALA N N 15 121.7 0.3 . 1 . . . . . 56 ALA N . 51331 1 223 . 1 . 1 57 57 LEU C C 13 179.6 0.3 . 1 . . . . . 57 LEU C . 51331 1 224 . 1 . 1 57 57 LEU CA C 13 58.1 0.3 . 1 . . . . . 57 LEU CA . 51331 1 225 . 1 . 1 57 57 LEU CB C 13 40.6 0.3 . 1 . . . . . 57 LEU CB . 51331 1 226 . 1 . 1 57 57 LEU CG C 13 26.8 0.3 . 1 . . . . . 57 LEU CG . 51331 1 227 . 1 . 1 57 57 LEU N N 15 122.3 0.3 . 1 . . . . . 57 LEU N . 51331 1 228 . 1 . 1 58 58 LEU C C 13 179.6 0.3 . 1 . . . . . 58 LEU C . 51331 1 229 . 1 . 1 58 58 LEU CA C 13 58.0 0.3 . 1 . . . . . 58 LEU CA . 51331 1 230 . 1 . 1 58 58 LEU CB C 13 40.4 0.3 . 1 . . . . . 58 LEU CB . 51331 1 231 . 1 . 1 58 58 LEU CG C 13 25.7 0.3 . 1 . . . . . 58 LEU CG . 51331 1 232 . 1 . 1 58 58 LEU CD1 C 13 22.2 0.3 . 2 . . . . . 58 LEU CD1 . 51331 1 233 . 1 . 1 58 58 LEU N N 15 119.3 0.3 . 1 . . . . . 58 LEU N . 51331 1 234 . 1 . 1 59 59 TRP C C 13 179.6 0.3 . 1 . . . . . 59 TRP C . 51331 1 235 . 1 . 1 59 59 TRP CA C 13 60.2 0.3 . 1 . . . . . 59 TRP CA . 51331 1 236 . 1 . 1 59 59 TRP CB C 13 29.7 0.3 . 1 . . . . . 59 TRP CB . 51331 1 237 . 1 . 1 59 59 TRP N N 15 118.3 0.3 . 1 . . . . . 59 TRP N . 51331 1 238 . 1 . 1 60 60 THR C C 13 176.0 0.3 . 1 . . . . . 60 THR C . 51331 1 239 . 1 . 1 60 60 THR CA C 13 69.3 0.3 . 1 . . . . . 60 THR CA . 51331 1 240 . 1 . 1 60 60 THR CB C 13 67.5 0.3 . 1 . . . . . 60 THR CB . 51331 1 241 . 1 . 1 60 60 THR CG2 C 13 21.6 0.3 . 1 . . . . . 60 THR CG2 . 51331 1 242 . 1 . 1 60 60 THR N N 15 118.6 0.3 . 1 . . . . . 60 THR N . 51331 1 243 . 1 . 1 61 61 ILE C C 13 177.2 0.3 . 1 . . . . . 61 ILE C . 51331 1 244 . 1 . 1 61 61 ILE CA C 13 65.8 0.3 . 1 . . . . . 61 ILE CA . 51331 1 245 . 1 . 1 61 61 ILE CB C 13 37.5 0.3 . 1 . . . . . 61 ILE CB . 51331 1 246 . 1 . 1 61 61 ILE CG1 C 13 29.1 0.3 . 1 . . . . . 61 ILE CG1 . 51331 1 247 . 1 . 1 61 61 ILE CG2 C 13 17.4 0.3 . 1 . . . . . 61 ILE CG2 . 51331 1 248 . 1 . 1 61 61 ILE CD1 C 13 13.3 0.3 . 1 . . . . . 61 ILE CD1 . 51331 1 249 . 1 . 1 61 61 ILE N N 15 121.4 0.3 . 1 . . . . . 61 ILE N . 51331 1 250 . 1 . 1 62 62 TYR C C 13 178.5 0.3 . 1 . . . . . 62 TYR C . 51331 1 251 . 1 . 1 62 62 TYR CA C 13 62.5 0.3 . 1 . . . . . 62 TYR CA . 51331 1 252 . 1 . 1 62 62 TYR CB C 13 39.2 0.3 . 1 . . . . . 62 TYR CB . 51331 1 253 . 1 . 1 62 62 TYR N N 15 121.4 0.3 . 1 . . . . . 62 TYR N . 51331 1 254 . 1 . 1 63 63 GLY C C 13 175.3 0.3 . 1 . . . . . 63 GLY C . 51331 1 255 . 1 . 1 63 63 GLY CA C 13 49.0 0.3 . 1 . . . . . 63 GLY CA . 51331 1 256 . 1 . 1 63 63 GLY N N 15 106.7 0.3 . 1 . . . . . 63 GLY N . 51331 1 257 . 1 . 1 64 64 ILE C C 13 180.2 0.3 . 1 . . . . . 64 ILE C . 51331 1 258 . 1 . 1 64 64 ILE CA C 13 65.9 0.3 . 1 . . . . . 64 ILE CA . 51331 1 259 . 1 . 1 64 64 ILE CB C 13 37.9 0.3 . 1 . . . . . 64 ILE CB . 51331 1 260 . 1 . 1 64 64 ILE CG1 C 13 27.9 0.3 . 1 . . . . . 64 ILE CG1 . 51331 1 261 . 1 . 1 64 64 ILE CG2 C 13 17.3 0.3 . 1 . . . . . 64 ILE CG2 . 51331 1 262 . 1 . 1 64 64 ILE CD1 C 13 14.4 0.3 . 1 . . . . . 64 ILE CD1 . 51331 1 263 . 1 . 1 64 64 ILE N N 15 125.3 0.3 . 1 . . . . . 64 ILE N . 51331 1 264 . 1 . 1 65 65 TYR C C 13 176.9 0.3 . 1 . . . . . 65 TYR C . 51331 1 265 . 1 . 1 65 65 TYR CA C 13 59.6 0.3 . 1 . . . . . 65 TYR CA . 51331 1 266 . 1 . 1 65 65 TYR CB C 13 37.8 0.3 . 1 . . . . . 65 TYR CB . 51331 1 267 . 1 . 1 65 65 TYR N N 15 124.0 0.3 . 1 . . . . . 65 TYR N . 51331 1 268 . 1 . 1 66 66 HIS C C 13 172.2 0.3 . 1 . . . . . 66 HIS C . 51331 1 269 . 1 . 1 66 66 HIS CA C 13 56.3 0.3 . 1 . . . . . 66 HIS CA . 51331 1 270 . 1 . 1 66 66 HIS CB C 13 27.6 0.3 . 1 . . . . . 66 HIS CB . 51331 1 271 . 1 . 1 66 66 HIS N N 15 113.2 0.3 . 1 . . . . . 66 HIS N . 51331 1 272 . 1 . 1 67 67 LYS C C 13 175.7 0.3 . 1 . . . . . 67 LYS C . 51331 1 273 . 1 . 1 67 67 LYS CA C 13 56.7 0.3 . 1 . . . . . 67 LYS CA . 51331 1 274 . 1 . 1 67 67 LYS CB C 13 29.5 0.3 . 1 . . . . . 67 LYS CB . 51331 1 275 . 1 . 1 67 67 LYS CG C 13 24.8 0.3 . 1 . . . . . 67 LYS CG . 51331 1 276 . 1 . 1 67 67 LYS CE C 13 42.2 0.3 . 1 . . . . . 67 LYS CE . 51331 1 277 . 1 . 1 67 67 LYS N N 15 120.5 0.3 . 1 . . . . . 67 LYS N . 51331 1 278 . 1 . 1 67 67 LYS NZ N 15 33.3 0.3 . 1 . . . . . 67 LYS NZ . 51331 1 279 . 1 . 1 68 68 ASN C C 13 174.0 0.3 . 1 . . . . . 68 ASN C . 51331 1 280 . 1 . 1 68 68 ASN CA C 13 49.5 0.3 . 1 . . . . . 68 ASN CA . 51331 1 281 . 1 . 1 68 68 ASN CB C 13 39.2 0.3 . 1 . . . . . 68 ASN CB . 51331 1 282 . 1 . 1 68 68 ASN CG C 13 177.1 0.3 . 1 . . . . . 68 ASN CG . 51331 1 283 . 1 . 1 68 68 ASN N N 15 112.7 0.3 . 1 . . . . . 68 ASN N . 51331 1 284 . 1 . 1 68 68 ASN ND2 N 15 112.3 0.3 . 1 . . . . . 68 ASN ND2 . 51331 1 285 . 1 . 1 69 69 PRO C C 13 176.9 0.3 . 1 . . . . . 69 PRO C . 51331 1 286 . 1 . 1 69 69 PRO CA C 13 63.2 0.3 . 1 . . . . . 69 PRO CA . 51331 1 287 . 1 . 1 69 69 PRO CB C 13 32.3 0.3 . 1 . . . . . 69 PRO CB . 51331 1 288 . 1 . 1 69 69 PRO CG C 13 27.2 0.3 . 1 . . . . . 69 PRO CG . 51331 1 289 . 1 . 1 69 69 PRO CD C 13 51.3 0.3 . 1 . . . . . 69 PRO CD . 51331 1 290 . 1 . 1 69 69 PRO N N 15 139.9 0.3 . 1 . . . . . 69 PRO N . 51331 1 291 . 1 . 1 70 70 THR C C 13 176.4 0.3 . 1 . . . . . 70 THR C . 51331 1 292 . 1 . 1 70 70 THR CA C 13 68.4 0.3 . 1 . . . . . 70 THR CA . 51331 1 293 . 1 . 1 70 70 THR CB C 13 67.8 0.3 . 1 . . . . . 70 THR CB . 51331 1 294 . 1 . 1 70 70 THR CG2 C 13 22.2 0.3 . 1 . . . . . 70 THR CG2 . 51331 1 295 . 1 . 1 70 70 THR N N 15 114.2 0.3 . 1 . . . . . 70 THR N . 51331 1 296 . 1 . 1 71 71 ILE C C 13 178.9 0.3 . 1 . . . . . 71 ILE C . 51331 1 297 . 1 . 1 71 71 ILE CA C 13 63.7 0.3 . 1 . . . . . 71 ILE CA . 51331 1 298 . 1 . 1 71 71 ILE CB C 13 39.5 0.3 . 1 . . . . . 71 ILE CB . 51331 1 299 . 1 . 1 71 71 ILE CG1 C 13 27.8 0.3 . 1 . . . . . 71 ILE CG1 . 51331 1 300 . 1 . 1 71 71 ILE CG2 C 13 18.6 0.3 . 1 . . . . . 71 ILE CG2 . 51331 1 301 . 1 . 1 71 71 ILE CD1 C 13 13.9 0.3 . 1 . . . . . 71 ILE CD1 . 51331 1 302 . 1 . 1 71 71 ILE N N 15 118.5 0.3 . 1 . . . . . 71 ILE N . 51331 1 303 . 1 . 1 72 72 TRP C C 13 177.5 0.3 . 1 . . . . . 72 TRP C . 51331 1 304 . 1 . 1 72 72 TRP CA C 13 61.4 0.3 . 1 . . . . . 72 TRP CA . 51331 1 305 . 1 . 1 72 72 TRP CB C 13 31.1 0.3 . 1 . . . . . 72 TRP CB . 51331 1 306 . 1 . 1 72 72 TRP N N 15 117.5 0.3 . 1 . . . . . 72 TRP N . 51331 1 307 . 1 . 1 73 73 VAL C C 13 178.3 0.3 . 1 . . . . . 73 VAL C . 51331 1 308 . 1 . 1 73 73 VAL CA C 13 67.9 0.3 . 1 . . . . . 73 VAL CA . 51331 1 309 . 1 . 1 73 73 VAL CB C 13 29.8 0.3 . 1 . . . . . 73 VAL CB . 51331 1 310 . 1 . 1 73 73 VAL CG1 C 13 22.4 0.3 . 1 . . . . . 73 VAL CG1 . 51331 1 311 . 1 . 1 73 73 VAL CG2 C 13 21.3 0.3 . 1 . . . . . 73 VAL CG2 . 51331 1 312 . 1 . 1 73 73 VAL N N 15 124.8 0.3 . 1 . . . . . 73 VAL N . 51331 1 313 . 1 . 1 74 74 GLY C C 13 176.2 0.3 . 1 . . . . . 74 GLY C . 51331 1 314 . 1 . 1 74 74 GLY CA C 13 47.9 0.3 . 1 . . . . . 74 GLY CA . 51331 1 315 . 1 . 1 74 74 GLY N N 15 104.3 0.3 . 1 . . . . . 74 GLY N . 51331 1 316 . 1 . 1 75 75 ASN C C 13 176.3 0.3 . 1 . . . . . 75 ASN C . 51331 1 317 . 1 . 1 75 75 ASN CA C 13 57.6 0.3 . 1 . . . . . 75 ASN CA . 51331 1 318 . 1 . 1 75 75 ASN CB C 13 40.0 0.3 . 1 . . . . . 75 ASN CB . 51331 1 319 . 1 . 1 75 75 ASN CG C 13 176.8 0.3 . 1 . . . . . 75 ASN CG . 51331 1 320 . 1 . 1 75 75 ASN N N 15 116.5 0.3 . 1 . . . . . 75 ASN N . 51331 1 321 . 1 . 1 75 75 ASN ND2 N 15 116.2 0.3 . 1 . . . . . 75 ASN ND2 . 51331 1 322 . 1 . 1 76 76 CYS C C 13 176.4 0.3 . 1 . . . . . 76 CYS C . 51331 1 323 . 1 . 1 76 76 CYS CA C 13 62.7 0.3 . 1 . . . . . 76 CYS CA . 51331 1 324 . 1 . 1 76 76 CYS CB C 13 26.5 0.3 . 1 . . . . . 76 CYS CB . 51331 1 325 . 1 . 1 76 76 CYS N N 15 124.2 0.3 . 1 . . . . . 76 CYS N . 51331 1 326 . 1 . 1 77 77 LEU C C 13 179.1 0.3 . 1 . . . . . 77 LEU C . 51331 1 327 . 1 . 1 77 77 LEU CA C 13 57.7 0.3 . 1 . . . . . 77 LEU CA . 51331 1 328 . 1 . 1 77 77 LEU CB C 13 41.4 0.3 . 1 . . . . . 77 LEU CB . 51331 1 329 . 1 . 1 77 77 LEU CG C 13 26.7 0.3 . 1 . . . . . 77 LEU CG . 51331 1 330 . 1 . 1 77 77 LEU CD1 C 13 24.2 0.3 . 2 . . . . . 77 LEU CD1 . 51331 1 331 . 1 . 1 77 77 LEU N N 15 120.1 0.3 . 1 . . . . . 77 LEU N . 51331 1 332 . 1 . 1 78 78 GLY C C 13 173.0 0.3 . 1 . . . . . 78 GLY C . 51331 1 333 . 1 . 1 78 78 GLY CA C 13 47.4 0.3 . 1 . . . . . 78 GLY CA . 51331 1 334 . 1 . 1 78 78 GLY N N 15 107.1 0.3 . 1 . . . . . 78 GLY N . 51331 1 335 . 1 . 1 79 79 PHE C C 13 176.0 0.3 . 1 . . . . . 79 PHE C . 51331 1 336 . 1 . 1 79 79 PHE CA C 13 62.7 0.3 . 1 . . . . . 79 PHE CA . 51331 1 337 . 1 . 1 79 79 PHE CB C 13 38.7 0.3 . 1 . . . . . 79 PHE CB . 51331 1 338 . 1 . 1 79 79 PHE N N 15 121.4 0.3 . 1 . . . . . 79 PHE N . 51331 1 339 . 1 . 1 80 80 LEU C C 13 178.4 0.3 . 1 . . . . . 80 LEU C . 51331 1 340 . 1 . 1 80 80 LEU CA C 13 58.0 0.3 . 1 . . . . . 80 LEU CA . 51331 1 341 . 1 . 1 80 80 LEU CB C 13 41.6 0.3 . 1 . . . . . 80 LEU CB . 51331 1 342 . 1 . 1 80 80 LEU CG C 13 26.5 0.3 . 1 . . . . . 80 LEU CG . 51331 1 343 . 1 . 1 80 80 LEU CD1 C 13 26.2 0.3 . 2 . . . . . 80 LEU CD1 . 51331 1 344 . 1 . 1 80 80 LEU CD2 C 13 22.9 0.3 . 2 . . . . . 80 LEU CD2 . 51331 1 345 . 1 . 1 80 80 LEU N N 15 116.3 0.3 . 1 . . . . . 80 LEU N . 51331 1 346 . 1 . 1 81 81 MET C C 13 179.0 0.3 . 1 . . . . . 81 MET C . 51331 1 347 . 1 . 1 81 81 MET CA C 13 57.9 0.3 . 1 . . . . . 81 MET CA . 51331 1 348 . 1 . 1 81 81 MET CB C 13 32.9 0.3 . 1 . . . . . 81 MET CB . 51331 1 349 . 1 . 1 81 81 MET CG C 13 32.4 0.3 . 1 . . . . . 81 MET CG . 51331 1 350 . 1 . 1 81 81 MET N N 15 116.4 0.3 . 1 . . . . . 81 MET N . 51331 1 351 . 1 . 1 82 82 TYR C C 13 179.3 0.3 . 1 . . . . . 82 TYR C . 51331 1 352 . 1 . 1 82 82 TYR CA C 13 58.9 0.3 . 1 . . . . . 82 TYR CA . 51331 1 353 . 1 . 1 82 82 TYR CB C 13 36.9 0.3 . 1 . . . . . 82 TYR CB . 51331 1 354 . 1 . 1 82 82 TYR N N 15 120.3 0.3 . 1 . . . . . 82 TYR N . 51331 1 355 . 1 . 1 83 83 VAL C C 13 178.4 0.3 . 1 . . . . . 83 VAL C . 51331 1 356 . 1 . 1 83 83 VAL CA C 13 67.0 0.3 . 1 . . . . . 83 VAL CA . 51331 1 357 . 1 . 1 83 83 VAL CB C 13 30.8 0.3 . 1 . . . . . 83 VAL CB . 51331 1 358 . 1 . 1 83 83 VAL CG1 C 13 23.9 0.3 . 2 . . . . . 83 VAL CG1 . 51331 1 359 . 1 . 1 83 83 VAL CG2 C 13 22.2 0.3 . 2 . . . . . 83 VAL CG2 . 51331 1 360 . 1 . 1 83 83 VAL N N 15 121.9 0.3 . 1 . . . . . 83 VAL N . 51331 1 361 . 1 . 1 84 84 ALA C C 13 181.8 0.3 . 1 . . . . . 84 ALA C . 51331 1 362 . 1 . 1 84 84 ALA CA C 13 55.5 0.3 . 1 . . . . . 84 ALA CA . 51331 1 363 . 1 . 1 84 84 ALA CB C 13 17.9 0.3 . 1 . . . . . 84 ALA CB . 51331 1 364 . 1 . 1 84 84 ALA N N 15 122.4 0.3 . 1 . . . . . 84 ALA N . 51331 1 365 . 1 . 1 85 85 MET C C 13 177.5 0.3 . 1 . . . . . 85 MET C . 51331 1 366 . 1 . 1 85 85 MET CA C 13 55.9 0.3 . 1 . . . . . 85 MET CA . 51331 1 367 . 1 . 1 85 85 MET CB C 13 29.5 0.3 . 1 . . . . . 85 MET CB . 51331 1 368 . 1 . 1 85 85 MET N N 15 122.4 0.3 . 1 . . . . . 85 MET N . 51331 1 369 . 1 . 1 86 86 VAL C C 13 177.9 0.3 . 1 . . . . . 86 VAL C . 51331 1 370 . 1 . 1 86 86 VAL CA C 13 67.5 0.3 . 1 . . . . . 86 VAL CA . 51331 1 371 . 1 . 1 86 86 VAL CB C 13 31.8 0.3 . 1 . . . . . 86 VAL CB . 51331 1 372 . 1 . 1 86 86 VAL CG1 C 13 23.2 0.3 . 2 . . . . . 86 VAL CG1 . 51331 1 373 . 1 . 1 86 86 VAL CG2 C 13 21.3 0.3 . 2 . . . . . 86 VAL CG2 . 51331 1 374 . 1 . 1 86 86 VAL N N 15 121.1 0.3 . 1 . . . . . 86 VAL N . 51331 1 375 . 1 . 1 87 87 VAL C C 13 177.3 0.3 . 1 . . . . . 87 VAL C . 51331 1 376 . 1 . 1 87 87 VAL CA C 13 66.5 0.3 . 1 . . . . . 87 VAL CA . 51331 1 377 . 1 . 1 87 87 VAL CB C 13 31.9 0.3 . 1 . . . . . 87 VAL CB . 51331 1 378 . 1 . 1 87 87 VAL CG1 C 13 23.1 0.3 . 2 . . . . . 87 VAL CG1 . 51331 1 379 . 1 . 1 87 87 VAL CG2 C 13 21.7 0.3 . 2 . . . . . 87 VAL CG2 . 51331 1 380 . 1 . 1 87 87 VAL N N 15 116.9 0.3 . 1 . . . . . 87 VAL N . 51331 1 381 . 1 . 1 88 88 GLY C C 13 176.1 0.3 . 1 . . . . . 88 GLY C . 51331 1 382 . 1 . 1 88 88 GLY CA C 13 48.1 0.3 . 1 . . . . . 88 GLY CA . 51331 1 383 . 1 . 1 88 88 GLY N N 15 108.1 0.3 . 1 . . . . . 88 GLY N . 51331 1 384 . 1 . 1 89 89 ILE C C 13 180.3 0.3 . 1 . . . . . 89 ILE C . 51331 1 385 . 1 . 1 89 89 ILE CA C 13 66.3 0.3 . 1 . . . . . 89 ILE CA . 51331 1 386 . 1 . 1 89 89 ILE CB C 13 38.2 0.3 . 1 . . . . . 89 ILE CB . 51331 1 387 . 1 . 1 89 89 ILE CG1 C 13 29.5 0.3 . 1 . . . . . 89 ILE CG1 . 51331 1 388 . 1 . 1 89 89 ILE CG2 C 13 18.2 0.3 . 1 . . . . . 89 ILE CG2 . 51331 1 389 . 1 . 1 89 89 ILE CD1 C 13 15.6 0.3 . 1 . . . . . 89 ILE CD1 . 51331 1 390 . 1 . 1 89 89 ILE N N 15 124.1 0.3 . 1 . . . . . 89 ILE N . 51331 1 391 . 1 . 1 90 90 ILE C C 13 178.1 0.3 . 1 . . . . . 90 ILE C . 51331 1 392 . 1 . 1 90 90 ILE CA C 13 66.7 0.3 . 1 . . . . . 90 ILE CA . 51331 1 393 . 1 . 1 90 90 ILE CB C 13 38.1 0.3 . 1 . . . . . 90 ILE CB . 51331 1 394 . 1 . 1 90 90 ILE CG1 C 13 29.6 0.3 . 1 . . . . . 90 ILE CG1 . 51331 1 395 . 1 . 1 90 90 ILE CG2 C 13 17.9 0.3 . 1 . . . . . 90 ILE CG2 . 51331 1 396 . 1 . 1 90 90 ILE CD1 C 13 14.4 0.3 . 1 . . . . . 90 ILE CD1 . 51331 1 397 . 1 . 1 90 90 ILE N N 15 123.5 0.3 . 1 . . . . . 90 ILE N . 51331 1 398 . 1 . 1 91 91 ALA C C 13 179.1 0.3 . 1 . . . . . 91 ALA C . 51331 1 399 . 1 . 1 91 91 ALA CA C 13 54.9 0.3 . 1 . . . . . 91 ALA CA . 51331 1 400 . 1 . 1 91 91 ALA CB C 13 18.2 0.3 . 1 . . . . . 91 ALA CB . 51331 1 401 . 1 . 1 91 91 ALA N N 15 121.3 0.3 . 1 . . . . . 91 ALA N . 51331 1 402 . 1 . 1 92 92 HIS C C 13 175.4 0.3 . 1 . . . . . 92 HIS C . 51331 1 403 . 1 . 1 92 92 HIS CA C 13 57.5 0.3 . 1 . . . . . 92 HIS CA . 51331 1 404 . 1 . 1 92 92 HIS CB C 13 30.4 0.3 . 1 . . . . . 92 HIS CB . 51331 1 405 . 1 . 1 92 92 HIS N N 15 110.0 0.3 . 1 . . . . . 92 HIS N . 51331 1 406 . 1 . 1 93 93 THR C C 13 175.7 0.3 . 1 . . . . . 93 THR C . 51331 1 407 . 1 . 1 93 93 THR CA C 13 62.3 0.3 . 1 . . . . . 93 THR CA . 51331 1 408 . 1 . 1 93 93 THR CB C 13 73.3 0.3 . 1 . . . . . 93 THR CB . 51331 1 409 . 1 . 1 93 93 THR CG2 C 13 21.3 0.3 . 1 . . . . . 93 THR CG2 . 51331 1 410 . 1 . 1 93 93 THR N N 15 107.0 0.3 . 1 . . . . . 93 THR N . 51331 1 411 . 1 . 1 94 94 GLY C C 13 173.7 0.3 . 1 . . . . . 94 GLY C . 51331 1 412 . 1 . 1 94 94 GLY CA C 13 45.6 0.3 . 1 . . . . . 94 GLY CA . 51331 1 413 . 1 . 1 94 94 GLY N N 15 111.8 0.3 . 1 . . . . . 94 GLY N . 51331 1 414 . 1 . 1 95 95 GLY C C 13 170.7 0.3 . 1 . . . . . 95 GLY C . 51331 1 415 . 1 . 1 95 95 GLY CA C 13 44.8 0.3 . 1 . . . . . 95 GLY CA . 51331 1 416 . 1 . 1 95 95 GLY N N 15 107.1 0.3 . 1 . . . . . 95 GLY N . 51331 1 417 . 1 . 1 96 96 THR C C 13 171.0 0.3 . 1 . . . . . 96 THR C . 51331 1 418 . 1 . 1 96 96 THR CA C 13 58.7 0.3 . 1 . . . . . 96 THR CA . 51331 1 419 . 1 . 1 96 96 THR CB C 13 67.3 0.3 . 1 . . . . . 96 THR CB . 51331 1 420 . 1 . 1 96 96 THR CG2 C 13 17.1 0.3 . 1 . . . . . 96 THR CG2 . 51331 1 421 . 1 . 1 96 96 THR N N 15 116.6 0.3 . 1 . . . . . 96 THR N . 51331 1 422 . 1 . 1 97 97 TYR C C 13 178.4 0.3 . 1 . . . . . 97 TYR C . 51331 1 423 . 1 . 1 97 97 TYR CA C 13 58.5 0.3 . 1 . . . . . 97 TYR CA . 51331 1 424 . 1 . 1 97 97 TYR CB C 13 40.8 0.3 . 1 . . . . . 97 TYR CB . 51331 1 425 . 1 . 1 97 97 TYR N N 15 122.3 0.3 . 1 . . . . . 97 TYR N . 51331 1 stop_ save_