data_50362 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50362 _Entry.Title ; BBP28(50-148) reduced ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-25 _Entry.Accession_date 2020-06-25 _Entry.Last_release_date 2020-06-25 _Entry.Original_release_date 2020-06-25 _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 _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 Jekabs Fridmanis . . . . 50362 2 Martins Otikovs . . . . 50362 3 Kalvis Brangulis . . . . 50362 4 Kristaps Jaudzems . . . . 50362 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50362 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 50362 '15N chemical shifts' 95 50362 '1H chemical shifts' 95 50362 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 2 . . 2021-04-12 2020-06-25 update BMRB 'update entry citation' 50362 1 . . 2020-11-03 2020-06-25 original author 'original release' 50362 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50360 'BBP28(23-148) oxidized' 50362 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50362 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32949018 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Bioinf.' _Citation.Journal_name_full . _Citation.Journal_volume 89 _Citation.Journal_issue 5 _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 588 _Citation.Page_last 594 _Citation.Year 2021 _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 Jekabs Fridmanis J. . . . 50362 1 2 Martins Otikovs M. . . . 50362 1 3 Kalvis Brangulis K. . . . 50362 1 4 Kaspars Tars K. . . . 50362 1 5 Kristaps Jaudzems K. . . . 50362 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50362 _Assembly.ID 1 _Assembly.Name 'BBP28(50-148) reduced' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 BBP28 1 $entity_1 . . yes native no no . . . 50362 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50362 _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 ; GAMGPKSKEELLREKLSEDQ KTHLDWLKEALGNDGEFDKF LGYDESKIKTALDHIKSELD KCNGNDADQQKTTFKQTVQG ALSGGIDGFGSNNAVTTCGN GS ; _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 102 _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 . GLY . 50362 1 2 . ALA . 50362 1 3 . MET . 50362 1 4 . GLY . 50362 1 5 . PRO . 50362 1 6 . LYS . 50362 1 7 . SER . 50362 1 8 . LYS . 50362 1 9 . GLU . 50362 1 10 . GLU . 50362 1 11 . LEU . 50362 1 12 . LEU . 50362 1 13 . ARG . 50362 1 14 . GLU . 50362 1 15 . LYS . 50362 1 16 . LEU . 50362 1 17 . SER . 50362 1 18 . GLU . 50362 1 19 . ASP . 50362 1 20 . GLN . 50362 1 21 . LYS . 50362 1 22 . THR . 50362 1 23 . HIS . 50362 1 24 . LEU . 50362 1 25 . ASP . 50362 1 26 . TRP . 50362 1 27 . LEU . 50362 1 28 . LYS . 50362 1 29 . GLU . 50362 1 30 . ALA . 50362 1 31 . LEU . 50362 1 32 . GLY . 50362 1 33 . ASN . 50362 1 34 . ASP . 50362 1 35 . GLY . 50362 1 36 . GLU . 50362 1 37 . PHE . 50362 1 38 . ASP . 50362 1 39 . LYS . 50362 1 40 . PHE . 50362 1 41 . LEU . 50362 1 42 . GLY . 50362 1 43 . TYR . 50362 1 44 . ASP . 50362 1 45 . GLU . 50362 1 46 . SER . 50362 1 47 . LYS . 50362 1 48 . ILE . 50362 1 49 . LYS . 50362 1 50 . THR . 50362 1 51 . ALA . 50362 1 52 . LEU . 50362 1 53 . ASP . 50362 1 54 . HIS . 50362 1 55 . ILE . 50362 1 56 . LYS . 50362 1 57 . SER . 50362 1 58 . GLU . 50362 1 59 . LEU . 50362 1 60 . ASP . 50362 1 61 . LYS . 50362 1 62 . CYS . 50362 1 63 . ASN . 50362 1 64 . GLY . 50362 1 65 . ASN . 50362 1 66 . ASP . 50362 1 67 . ALA . 50362 1 68 . ASP . 50362 1 69 . GLN . 50362 1 70 . GLN . 50362 1 71 . LYS . 50362 1 72 . THR . 50362 1 73 . THR . 50362 1 74 . PHE . 50362 1 75 . LYS . 50362 1 76 . GLN . 50362 1 77 . THR . 50362 1 78 . VAL . 50362 1 79 . GLN . 50362 1 80 . GLY . 50362 1 81 . ALA . 50362 1 82 . LEU . 50362 1 83 . SER . 50362 1 84 . GLY . 50362 1 85 . GLY . 50362 1 86 . ILE . 50362 1 87 . ASP . 50362 1 88 . GLY . 50362 1 89 . PHE . 50362 1 90 . GLY . 50362 1 91 . SER . 50362 1 92 . ASN . 50362 1 93 . ASN . 50362 1 94 . ALA . 50362 1 95 . VAL . 50362 1 96 . THR . 50362 1 97 . THR . 50362 1 98 . CYS . 50362 1 99 . GLY . 50362 1 100 . ASN . 50362 1 101 . GLY . 50362 1 102 . SER . 50362 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 . GLY 1 1 50362 1 . ALA 2 2 50362 1 . MET 3 3 50362 1 . GLY 4 4 50362 1 . PRO 5 5 50362 1 . LYS 6 6 50362 1 . SER 7 7 50362 1 . LYS 8 8 50362 1 . GLU 9 9 50362 1 . GLU 10 10 50362 1 . LEU 11 11 50362 1 . LEU 12 12 50362 1 . ARG 13 13 50362 1 . GLU 14 14 50362 1 . LYS 15 15 50362 1 . LEU 16 16 50362 1 . SER 17 17 50362 1 . GLU 18 18 50362 1 . ASP 19 19 50362 1 . GLN 20 20 50362 1 . LYS 21 21 50362 1 . THR 22 22 50362 1 . HIS 23 23 50362 1 . LEU 24 24 50362 1 . ASP 25 25 50362 1 . TRP 26 26 50362 1 . LEU 27 27 50362 1 . LYS 28 28 50362 1 . GLU 29 29 50362 1 . ALA 30 30 50362 1 . LEU 31 31 50362 1 . GLY 32 32 50362 1 . ASN 33 33 50362 1 . ASP 34 34 50362 1 . GLY 35 35 50362 1 . GLU 36 36 50362 1 . PHE 37 37 50362 1 . ASP 38 38 50362 1 . LYS 39 39 50362 1 . PHE 40 40 50362 1 . LEU 41 41 50362 1 . GLY 42 42 50362 1 . TYR 43 43 50362 1 . ASP 44 44 50362 1 . GLU 45 45 50362 1 . SER 46 46 50362 1 . LYS 47 47 50362 1 . ILE 48 48 50362 1 . LYS 49 49 50362 1 . THR 50 50 50362 1 . ALA 51 51 50362 1 . LEU 52 52 50362 1 . ASP 53 53 50362 1 . HIS 54 54 50362 1 . ILE 55 55 50362 1 . LYS 56 56 50362 1 . SER 57 57 50362 1 . GLU 58 58 50362 1 . LEU 59 59 50362 1 . ASP 60 60 50362 1 . LYS 61 61 50362 1 . CYS 62 62 50362 1 . ASN 63 63 50362 1 . GLY 64 64 50362 1 . ASN 65 65 50362 1 . ASP 66 66 50362 1 . ALA 67 67 50362 1 . ASP 68 68 50362 1 . GLN 69 69 50362 1 . GLN 70 70 50362 1 . LYS 71 71 50362 1 . THR 72 72 50362 1 . THR 73 73 50362 1 . PHE 74 74 50362 1 . LYS 75 75 50362 1 . GLN 76 76 50362 1 . THR 77 77 50362 1 . VAL 78 78 50362 1 . GLN 79 79 50362 1 . GLY 80 80 50362 1 . ALA 81 81 50362 1 . LEU 82 82 50362 1 . SER 83 83 50362 1 . GLY 84 84 50362 1 . GLY 85 85 50362 1 . ILE 86 86 50362 1 . ASP 87 87 50362 1 . GLY 88 88 50362 1 . PHE 89 89 50362 1 . GLY 90 90 50362 1 . SER 91 91 50362 1 . ASN 92 92 50362 1 . ASN 93 93 50362 1 . ALA 94 94 50362 1 . VAL 95 95 50362 1 . THR 96 96 50362 1 . THR 97 97 50362 1 . CYS 98 98 50362 1 . GLY 99 99 50362 1 . ASN 100 100 50362 1 . GLY 101 101 50362 1 . SER 102 102 50362 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 50362 _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 . 224326 organism . 'Borrelia burgdorferi' 'Borreliella burgdorferi' . . Bacteria . Borreliella burgdorferi . . . . . . . . . . . . . 50362 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 50362 _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' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETm11 . . . 50362 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50362 _Sample.ID 1 _Sample.Name BBP28(50-148) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'BBP28(50-148) reduced' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 50362 1 2 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50362 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50362 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50362 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50362 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 50362 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standart _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' 0.08 . M 50362 1 pH 6.8 . pH 50362 1 pressure 1 . atm 50362 1 temperature 298 . K 50362 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50362 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50362 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50362 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50362 2 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 50362 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Varian Unity Inova' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 50362 _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-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50362 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 50362 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'BBP28(50-148) reduced' _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 water protons . . . . ppm 4.77 internal indirect . . . . . . 50362 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 50362 1 N 15 water protons . . . . ppm 4.77 internal indirect . . . . . . 50362 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 50362 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BBP28(50-148) reduced' _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 2 '3D CBCA(CO)NH' . . . 50362 1 3 '3D HNCACB' . . . 50362 1 4 '3D HNCA' . . . 50362 1 5 '3D HNCO' . . . 50362 1 6 '3D HN(CO)CA' . . . 50362 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 . . 50362 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 5 5 PRO CA C 13 62.944 0.3 . 1 . . . . . 5 PRO CA . 50362 1 2 . 1 . 1 5 5 PRO CB C 13 32.154 0.3 . 1 . . . . . 5 PRO CB . 50362 1 3 . 1 . 1 6 6 LYS H H 1 8.302 0.02 . 1 . . . . . 6 LYS H . 50362 1 4 . 1 . 1 6 6 LYS CA C 13 56.53 0.3 . 1 . . . . . 6 LYS CA . 50362 1 5 . 1 . 1 6 6 LYS CB C 13 34.446 0.3 . 1 . . . . . 6 LYS CB . 50362 1 6 . 1 . 1 6 6 LYS N N 15 121.732 0.3 . 1 . . . . . 6 LYS N . 50362 1 7 . 1 . 1 7 7 SER H H 1 8.81 0.02 . 1 . . . . . 7 SER H . 50362 1 8 . 1 . 1 7 7 SER CA C 13 57.496 0.3 . 1 . . . . . 7 SER CA . 50362 1 9 . 1 . 1 7 7 SER CB C 13 65.422 0.3 . 1 . . . . . 7 SER CB . 50362 1 10 . 1 . 1 7 7 SER N N 15 118.875 0.3 . 1 . . . . . 7 SER N . 50362 1 11 . 1 . 1 8 8 LYS H H 1 8.756 0.02 . 1 . . . . . 8 LYS H . 50362 1 12 . 1 . 1 8 8 LYS CA C 13 60.109 0.3 . 1 . . . . . 8 LYS CA . 50362 1 13 . 1 . 1 8 8 LYS CB C 13 32.704 0.3 . 1 . . . . . 8 LYS CB . 50362 1 14 . 1 . 1 8 8 LYS N N 15 120.995 0.3 . 1 . . . . . 8 LYS N . 50362 1 15 . 1 . 1 9 9 GLU H H 1 8.748 0.02 . 1 . . . . . 9 GLU H . 50362 1 16 . 1 . 1 9 9 GLU CA C 13 60.082 0.3 . 1 . . . . . 9 GLU CA . 50362 1 17 . 1 . 1 9 9 GLU CB C 13 29.8 0.3 . 1 . . . . . 9 GLU CB . 50362 1 18 . 1 . 1 9 9 GLU N N 15 119.662 0.3 . 1 . . . . . 9 GLU N . 50362 1 19 . 1 . 1 10 10 GLU H H 1 7.952 0.02 . 1 . . . . . 10 GLU H . 50362 1 20 . 1 . 1 10 10 GLU CA C 13 60.073 0.3 . 1 . . . . . 10 GLU CA . 50362 1 21 . 1 . 1 10 10 GLU CB C 13 29.968 0.3 . 1 . . . . . 10 GLU CB . 50362 1 22 . 1 . 1 10 10 GLU N N 15 120.284 0.3 . 1 . . . . . 10 GLU N . 50362 1 23 . 1 . 1 11 11 LEU H H 1 8.298 0.02 . 1 . . . . . 11 LEU H . 50362 1 24 . 1 . 1 11 11 LEU CA C 13 57.865 0.3 . 1 . . . . . 11 LEU CA . 50362 1 25 . 1 . 1 11 11 LEU CB C 13 42.145 0.3 . 1 . . . . . 11 LEU CB . 50362 1 26 . 1 . 1 11 11 LEU N N 15 119.15 0.3 . 1 . . . . . 11 LEU N . 50362 1 27 . 1 . 1 12 12 LEU CA C 13 57.551 0.3 . 1 . . . . . 12 LEU CA . 50362 1 28 . 1 . 1 12 12 LEU CB C 13 41.015 0.3 . 1 . . . . . 12 LEU CB . 50362 1 29 . 1 . 1 13 13 ARG H H 1 8.427 0.02 . 1 . . . . . 13 ARG H . 50362 1 30 . 1 . 1 13 13 ARG CA C 13 60.979 0.3 . 1 . . . . . 13 ARG CA . 50362 1 31 . 1 . 1 13 13 ARG CB C 13 30.58 0.3 . 1 . . . . . 13 ARG CB . 50362 1 32 . 1 . 1 13 13 ARG N N 15 117.137 0.3 . 1 . . . . . 13 ARG N . 50362 1 33 . 1 . 1 14 14 GLU H H 1 7.301 0.02 . 1 . . . . . 14 GLU H . 50362 1 34 . 1 . 1 14 14 GLU CA C 13 58.836 0.3 . 1 . . . . . 14 GLU CA . 50362 1 35 . 1 . 1 14 14 GLU CB C 13 29.993 0.3 . 1 . . . . . 14 GLU CB . 50362 1 36 . 1 . 1 14 14 GLU N N 15 115.047 0.3 . 1 . . . . . 14 GLU N . 50362 1 37 . 1 . 1 15 15 LYS H H 1 7.975 0.02 . 1 . . . . . 15 LYS H . 50362 1 38 . 1 . 1 15 15 LYS CA C 13 55.856 0.3 . 1 . . . . . 15 LYS CA . 50362 1 39 . 1 . 1 15 15 LYS CB C 13 33.188 0.3 . 1 . . . . . 15 LYS CB . 50362 1 40 . 1 . 1 15 15 LYS N N 15 116.697 0.3 . 1 . . . . . 15 LYS N . 50362 1 41 . 1 . 1 16 16 LEU H H 1 7.19 0.02 . 1 . . . . . 16 LEU H . 50362 1 42 . 1 . 1 16 16 LEU CA C 13 53.847 0.3 . 1 . . . . . 16 LEU CA . 50362 1 43 . 1 . 1 16 16 LEU CB C 13 43.642 0.3 . 1 . . . . . 16 LEU CB . 50362 1 44 . 1 . 1 16 16 LEU N N 15 118.43 0.3 . 1 . . . . . 16 LEU N . 50362 1 45 . 1 . 1 17 17 SER H H 1 8.88 0.02 . 1 . . . . . 17 SER H . 50362 1 46 . 1 . 1 17 17 SER CA C 13 57.162 0.3 . 1 . . . . . 17 SER CA . 50362 1 47 . 1 . 1 17 17 SER CB C 13 65.325 0.3 . 1 . . . . . 17 SER CB . 50362 1 48 . 1 . 1 17 17 SER N N 15 117.241 0.3 . 1 . . . . . 17 SER N . 50362 1 49 . 1 . 1 18 18 GLU H H 1 9.002 0.02 . 1 . . . . . 18 GLU H . 50362 1 50 . 1 . 1 18 18 GLU CA C 13 60.51 0.3 . 1 . . . . . 18 GLU CA . 50362 1 51 . 1 . 1 18 18 GLU CB C 13 29.025 0.3 . 1 . . . . . 18 GLU CB . 50362 1 52 . 1 . 1 18 18 GLU N N 15 120.738 0.3 . 1 . . . . . 18 GLU N . 50362 1 53 . 1 . 1 19 19 ASP H H 1 8.607 0.02 . 1 . . . . . 19 ASP H . 50362 1 54 . 1 . 1 19 19 ASP CA C 13 57.63 0.3 . 1 . . . . . 19 ASP CA . 50362 1 55 . 1 . 1 19 19 ASP CB C 13 40.835 0.3 . 1 . . . . . 19 ASP CB . 50362 1 56 . 1 . 1 19 19 ASP N N 15 117.931 0.3 . 1 . . . . . 19 ASP N . 50362 1 57 . 1 . 1 20 20 GLN H H 1 7.881 0.02 . 1 . . . . . 20 GLN H . 50362 1 58 . 1 . 1 20 20 GLN CA C 13 58.834 0.3 . 1 . . . . . 20 GLN CA . 50362 1 59 . 1 . 1 20 20 GLN CB C 13 28.741 0.3 . 1 . . . . . 20 GLN CB . 50362 1 60 . 1 . 1 20 20 GLN N N 15 120.879 0.3 . 1 . . . . . 20 GLN N . 50362 1 61 . 1 . 1 21 21 LYS H H 1 8.691 0.02 . 1 . . . . . 21 LYS H . 50362 1 62 . 1 . 1 21 21 LYS CA C 13 61.447 0.3 . 1 . . . . . 21 LYS CA . 50362 1 63 . 1 . 1 21 21 LYS CB C 13 32.607 0.3 . 1 . . . . . 21 LYS CB . 50362 1 64 . 1 . 1 21 21 LYS N N 15 120.783 0.3 . 1 . . . . . 21 LYS N . 50362 1 65 . 1 . 1 22 22 THR H H 1 7.888 0.02 . 1 . . . . . 22 THR H . 50362 1 66 . 1 . 1 22 22 THR CA C 13 66.135 0.3 . 1 . . . . . 22 THR CA . 50362 1 67 . 1 . 1 22 22 THR CB C 13 68.714 0.3 . 1 . . . . . 22 THR CB . 50362 1 68 . 1 . 1 22 22 THR N N 15 115.539 0.3 . 1 . . . . . 22 THR N . 50362 1 69 . 1 . 1 23 23 HIS H H 1 7.887 0.02 . 1 . . . . . 23 HIS H . 50362 1 70 . 1 . 1 23 23 HIS CA C 13 62.452 0.3 . 1 . . . . . 23 HIS CA . 50362 1 71 . 1 . 1 23 23 HIS CB C 13 28.735 0.3 . 1 . . . . . 23 HIS CB . 50362 1 72 . 1 . 1 23 23 HIS N N 15 120.671 0.3 . 1 . . . . . 23 HIS N . 50362 1 73 . 1 . 1 24 24 LEU H H 1 8.914 0.02 . 1 . . . . . 24 LEU H . 50362 1 74 . 1 . 1 24 24 LEU CA C 13 58.147 0.3 . 1 . . . . . 24 LEU CA . 50362 1 75 . 1 . 1 24 24 LEU CB C 13 41.125 0.3 . 1 . . . . . 24 LEU CB . 50362 1 76 . 1 . 1 24 24 LEU N N 15 126.497 0.3 . 1 . . . . . 24 LEU N . 50362 1 77 . 1 . 1 25 25 ASP H H 1 7.935 0.02 . 1 . . . . . 25 ASP H . 50362 1 78 . 1 . 1 25 25 ASP CA C 13 57.93 0.3 . 1 . . . . . 25 ASP CA . 50362 1 79 . 1 . 1 25 25 ASP CB C 13 39.825 0.3 . 1 . . . . . 25 ASP CB . 50362 1 80 . 1 . 1 25 25 ASP N N 15 119.428 0.3 . 1 . . . . . 25 ASP N . 50362 1 81 . 1 . 1 26 26 TRP H H 1 7.728 0.02 . 1 . . . . . 26 TRP H . 50362 1 82 . 1 . 1 26 26 TRP CA C 13 61.761 0.3 . 1 . . . . . 26 TRP CA . 50362 1 83 . 1 . 1 26 26 TRP CB C 13 29.025 0.3 . 1 . . . . . 26 TRP CB . 50362 1 84 . 1 . 1 26 26 TRP N N 15 121.363 0.3 . 1 . . . . . 26 TRP N . 50362 1 85 . 1 . 1 27 27 LEU H H 1 8.671 0.02 . 1 . . . . . 27 LEU H . 50362 1 86 . 1 . 1 27 27 LEU CA C 13 57.932 0.3 . 1 . . . . . 27 LEU CA . 50362 1 87 . 1 . 1 27 27 LEU CB C 13 42.384 0.3 . 1 . . . . . 27 LEU CB . 50362 1 88 . 1 . 1 27 27 LEU N N 15 121.814 0.3 . 1 . . . . . 27 LEU N . 50362 1 89 . 1 . 1 28 28 LYS H H 1 8.38 0.02 . 1 . . . . . 28 LYS H . 50362 1 90 . 1 . 1 28 28 LYS CA C 13 60.108 0.3 . 1 . . . . . 28 LYS CA . 50362 1 91 . 1 . 1 28 28 LYS CB C 13 32.801 0.3 . 1 . . . . . 28 LYS CB . 50362 1 92 . 1 . 1 28 28 LYS N N 15 119.926 0.3 . 1 . . . . . 28 LYS N . 50362 1 93 . 1 . 1 29 29 GLU H H 1 7.239 0.02 . 1 . . . . . 29 GLU H . 50362 1 94 . 1 . 1 29 29 GLU CA C 13 58.6 0.3 . 1 . . . . . 29 GLU CA . 50362 1 95 . 1 . 1 29 29 GLU CB C 13 29.219 0.3 . 1 . . . . . 29 GLU CB . 50362 1 96 . 1 . 1 29 29 GLU N N 15 117.874 0.3 . 1 . . . . . 29 GLU N . 50362 1 97 . 1 . 1 30 30 ALA H H 1 7.946 0.02 . 1 . . . . . 30 ALA H . 50362 1 98 . 1 . 1 30 30 ALA CA C 13 54.75 0.3 . 1 . . . . . 30 ALA CA . 50362 1 99 . 1 . 1 30 30 ALA CB C 13 17.99 0.3 . 1 . . . . . 30 ALA CB . 50362 1 100 . 1 . 1 30 30 ALA N N 15 121.713 0.3 . 1 . . . . . 30 ALA N . 50362 1 101 . 1 . 1 31 31 LEU H H 1 8.183 0.02 . 1 . . . . . 31 LEU H . 50362 1 102 . 1 . 1 31 31 LEU CA C 13 56.454 0.3 . 1 . . . . . 31 LEU CA . 50362 1 103 . 1 . 1 31 31 LEU CB C 13 42.098 0.3 . 1 . . . . . 31 LEU CB . 50362 1 104 . 1 . 1 31 31 LEU N N 15 114.754 0.3 . 1 . . . . . 31 LEU N . 50362 1 105 . 1 . 1 32 32 GLY H H 1 7.302 0.02 . 1 . . . . . 32 GLY H . 50362 1 106 . 1 . 1 32 32 GLY CA C 13 46.971 0.3 . 1 . . . . . 32 GLY CA . 50362 1 107 . 1 . 1 32 32 GLY N N 15 105.421 0.3 . 1 . . . . . 32 GLY N . 50362 1 108 . 1 . 1 33 33 ASN H H 1 8.332 0.02 . 1 . . . . . 33 ASN H . 50362 1 109 . 1 . 1 33 33 ASN CA C 13 53.419 0.3 . 1 . . . . . 33 ASN CA . 50362 1 110 . 1 . 1 33 33 ASN CB C 13 39.964 0.3 . 1 . . . . . 33 ASN CB . 50362 1 111 . 1 . 1 33 33 ASN N N 15 117.072 0.3 . 1 . . . . . 33 ASN N . 50362 1 112 . 1 . 1 34 34 ASP H H 1 8.779 0.02 . 1 . . . . . 34 ASP H . 50362 1 113 . 1 . 1 34 34 ASP CA C 13 56.841 0.3 . 1 . . . . . 34 ASP CA . 50362 1 114 . 1 . 1 34 34 ASP CB C 13 40.646 0.3 . 1 . . . . . 34 ASP CB . 50362 1 115 . 1 . 1 34 34 ASP N N 15 124.863 0.3 . 1 . . . . . 34 ASP N . 50362 1 116 . 1 . 1 35 35 GLY H H 1 8.433 0.02 . 1 . . . . . 35 GLY H . 50362 1 117 . 1 . 1 35 35 GLY CA C 13 47.03 0.3 . 1 . . . . . 35 GLY CA . 50362 1 118 . 1 . 1 35 35 GLY N N 15 108.987 0.3 . 1 . . . . . 35 GLY N . 50362 1 119 . 1 . 1 36 36 GLU H H 1 8.252 0.02 . 1 . . . . . 36 GLU H . 50362 1 120 . 1 . 1 36 36 GLU CA C 13 58.694 0.3 . 1 . . . . . 36 GLU CA . 50362 1 121 . 1 . 1 36 36 GLU CB C 13 29.999 0.3 . 1 . . . . . 36 GLU CB . 50362 1 122 . 1 . 1 36 36 GLU N N 15 122.19 0.3 . 1 . . . . . 36 GLU N . 50362 1 123 . 1 . 1 37 37 PHE H H 1 8.576 0.02 . 1 . . . . . 37 PHE H . 50362 1 124 . 1 . 1 37 37 PHE CA C 13 61.849 0.3 . 1 . . . . . 37 PHE CA . 50362 1 125 . 1 . 1 37 37 PHE CB C 13 38.899 0.3 . 1 . . . . . 37 PHE CB . 50362 1 126 . 1 . 1 37 37 PHE N N 15 122.131 0.3 . 1 . . . . . 37 PHE N . 50362 1 127 . 1 . 1 38 38 ASP H H 1 8.233 0.02 . 1 . . . . . 38 ASP H . 50362 1 128 . 1 . 1 38 38 ASP CA C 13 57.898 0.3 . 1 . . . . . 38 ASP CA . 50362 1 129 . 1 . 1 38 38 ASP CB C 13 41.25 0.3 . 1 . . . . . 38 ASP CB . 50362 1 130 . 1 . 1 38 38 ASP N N 15 117.741 0.3 . 1 . . . . . 38 ASP N . 50362 1 131 . 1 . 1 39 39 LYS H H 1 7.457 0.02 . 1 . . . . . 39 LYS H . 50362 1 132 . 1 . 1 39 39 LYS CA C 13 59.539 0.3 . 1 . . . . . 39 LYS CA . 50362 1 133 . 1 . 1 39 39 LYS CB C 13 32.413 0.3 . 1 . . . . . 39 LYS CB . 50362 1 134 . 1 . 1 39 39 LYS N N 15 118.882 0.3 . 1 . . . . . 39 LYS N . 50362 1 135 . 1 . 1 40 40 PHE H H 1 7.527 0.02 . 1 . . . . . 40 PHE H . 50362 1 136 . 1 . 1 40 40 PHE CA C 13 60.508 0.3 . 1 . . . . . 40 PHE CA . 50362 1 137 . 1 . 1 40 40 PHE CB C 13 38.609 0.3 . 1 . . . . . 40 PHE CB . 50362 1 138 . 1 . 1 40 40 PHE N N 15 121.891 0.3 . 1 . . . . . 40 PHE N . 50362 1 139 . 1 . 1 41 41 LEU H H 1 7.427 0.02 . 1 . . . . . 41 LEU H . 50362 1 140 . 1 . 1 41 41 LEU CA C 13 55.856 0.3 . 1 . . . . . 41 LEU CA . 50362 1 141 . 1 . 1 41 41 LEU CB C 13 42.19 0.3 . 1 . . . . . 41 LEU CB . 50362 1 142 . 1 . 1 41 41 LEU N N 15 112.801 0.3 . 1 . . . . . 41 LEU N . 50362 1 143 . 1 . 1 42 42 GLY H H 1 7.312 0.02 . 1 . . . . . 42 GLY H . 50362 1 144 . 1 . 1 42 42 GLY CA C 13 44.901 0.3 . 1 . . . . . 42 GLY CA . 50362 1 145 . 1 . 1 42 42 GLY N N 15 104.119 0.3 . 1 . . . . . 42 GLY N . 50362 1 146 . 1 . 1 43 43 TYR H H 1 7.119 0.02 . 1 . . . . . 43 TYR H . 50362 1 147 . 1 . 1 43 43 TYR CA C 13 56.458 0.3 . 1 . . . . . 43 TYR CA . 50362 1 148 . 1 . 1 43 43 TYR CB C 13 38.517 0.3 . 1 . . . . . 43 TYR CB . 50362 1 149 . 1 . 1 43 43 TYR N N 15 120.679 0.3 . 1 . . . . . 43 TYR N . 50362 1 150 . 1 . 1 44 44 ASP H H 1 8.181 0.02 . 1 . . . . . 44 ASP H . 50362 1 151 . 1 . 1 44 44 ASP CA C 13 55.019 0.3 . 1 . . . . . 44 ASP CA . 50362 1 152 . 1 . 1 44 44 ASP CB C 13 42.674 0.3 . 1 . . . . . 44 ASP CB . 50362 1 153 . 1 . 1 44 44 ASP N N 15 117.178 0.3 . 1 . . . . . 44 ASP N . 50362 1 154 . 1 . 1 45 45 GLU H H 1 8.848 0.02 . 1 . . . . . 45 GLU H . 50362 1 155 . 1 . 1 45 45 GLU CA C 13 60.542 0.3 . 1 . . . . . 45 GLU CA . 50362 1 156 . 1 . 1 45 45 GLU CB C 13 30.381 0.3 . 1 . . . . . 45 GLU CB . 50362 1 157 . 1 . 1 45 45 GLU N N 15 124.066 0.3 . 1 . . . . . 45 GLU N . 50362 1 158 . 1 . 1 46 46 SER H H 1 8.532 0.02 . 1 . . . . . 46 SER H . 50362 1 159 . 1 . 1 46 46 SER CA C 13 61.849 0.3 . 1 . . . . . 46 SER CA . 50362 1 160 . 1 . 1 46 46 SER CB C 13 62.142 0.3 . 1 . . . . . 46 SER CB . 50362 1 161 . 1 . 1 46 46 SER N N 15 113.867 0.3 . 1 . . . . . 46 SER N . 50362 1 162 . 1 . 1 47 47 LYS H H 1 7.455 0.02 . 1 . . . . . 47 LYS H . 50362 1 163 . 1 . 1 47 47 LYS CA C 13 59.102 0.3 . 1 . . . . . 47 LYS CA . 50362 1 164 . 1 . 1 47 47 LYS CB C 13 32.704 0.3 . 1 . . . . . 47 LYS CB . 50362 1 165 . 1 . 1 47 47 LYS N N 15 123.535 0.3 . 1 . . . . . 47 LYS N . 50362 1 166 . 1 . 1 48 48 ILE H H 1 8.158 0.02 . 1 . . . . . 48 ILE H . 50362 1 167 . 1 . 1 48 48 ILE CA C 13 66.152 0.3 . 1 . . . . . 48 ILE CA . 50362 1 168 . 1 . 1 48 48 ILE CB C 13 38.226 0.3 . 1 . . . . . 48 ILE CB . 50362 1 169 . 1 . 1 48 48 ILE N N 15 121.836 0.3 . 1 . . . . . 48 ILE N . 50362 1 170 . 1 . 1 49 49 LYS H H 1 8.275 0.02 . 1 . . . . . 49 LYS H . 50362 1 171 . 1 . 1 49 49 LYS CA C 13 61.893 0.3 . 1 . . . . . 49 LYS CA . 50362 1 172 . 1 . 1 49 49 LYS CB C 13 32.704 0.3 . 1 . . . . . 49 LYS CB . 50362 1 173 . 1 . 1 49 49 LYS N N 15 118.797 0.3 . 1 . . . . . 49 LYS N . 50362 1 174 . 1 . 1 50 50 THR H H 1 7.888 0.02 . 1 . . . . . 50 THR H . 50362 1 175 . 1 . 1 50 50 THR CA C 13 66.805 0.3 . 1 . . . . . 50 THR CA . 50362 1 176 . 1 . 1 50 50 THR CB C 13 68.811 0.3 . 1 . . . . . 50 THR CB . 50362 1 177 . 1 . 1 50 50 THR N N 15 114.29 0.3 . 1 . . . . . 50 THR N . 50362 1 178 . 1 . 1 51 51 ALA H H 1 8.231 0.02 . 1 . . . . . 51 ALA H . 50362 1 179 . 1 . 1 51 51 ALA CA C 13 55.988 0.3 . 1 . . . . . 51 ALA CA . 50362 1 180 . 1 . 1 51 51 ALA CB C 13 18.333 0.3 . 1 . . . . . 51 ALA CB . 50362 1 181 . 1 . 1 51 51 ALA N N 15 125.087 0.3 . 1 . . . . . 51 ALA N . 50362 1 182 . 1 . 1 52 52 LEU H H 1 8.801 0.02 . 1 . . . . . 52 LEU H . 50362 1 183 . 1 . 1 52 52 LEU CA C 13 58.3 0.3 . 1 . . . . . 52 LEU CA . 50362 1 184 . 1 . 1 52 52 LEU CB C 13 41.706 0.3 . 1 . . . . . 52 LEU CB . 50362 1 185 . 1 . 1 52 52 LEU N N 15 118.003 0.3 . 1 . . . . . 52 LEU N . 50362 1 186 . 1 . 1 53 53 ASP H H 1 8.744 0.02 . 1 . . . . . 53 ASP H . 50362 1 187 . 1 . 1 53 53 ASP CA C 13 57.595 0.3 . 1 . . . . . 53 ASP CA . 50362 1 188 . 1 . 1 53 53 ASP CB C 13 39.577 0.3 . 1 . . . . . 53 ASP CB . 50362 1 189 . 1 . 1 53 53 ASP N N 15 123.19 0.3 . 1 . . . . . 53 ASP N . 50362 1 190 . 1 . 1 54 54 HIS H H 1 8.244 0.02 . 1 . . . . . 54 HIS H . 50362 1 191 . 1 . 1 54 54 HIS CA C 13 59.564 0.3 . 1 . . . . . 54 HIS CA . 50362 1 192 . 1 . 1 54 54 HIS CB C 13 30.778 0.3 . 1 . . . . . 54 HIS CB . 50362 1 193 . 1 . 1 54 54 HIS N N 15 122.507 0.3 . 1 . . . . . 54 HIS N . 50362 1 194 . 1 . 1 55 55 ILE H H 1 8.293 0.02 . 1 . . . . . 55 ILE H . 50362 1 195 . 1 . 1 55 55 ILE CA C 13 65.743 0.3 . 1 . . . . . 55 ILE CA . 50362 1 196 . 1 . 1 55 55 ILE CB C 13 38.655 0.3 . 1 . . . . . 55 ILE CB . 50362 1 197 . 1 . 1 55 55 ILE N N 15 119.662 0.3 . 1 . . . . . 55 ILE N . 50362 1 198 . 1 . 1 56 56 LYS H H 1 7.379 0.02 . 1 . . . . . 56 LYS H . 50362 1 199 . 1 . 1 56 56 LYS CA C 13 59.874 0.3 . 1 . . . . . 56 LYS CA . 50362 1 200 . 1 . 1 56 56 LYS CB C 13 31.639 0.3 . 1 . . . . . 56 LYS CB . 50362 1 201 . 1 . 1 56 56 LYS N N 15 118.668 0.3 . 1 . . . . . 56 LYS N . 50362 1 202 . 1 . 1 57 57 SER H H 1 7.663 0.02 . 1 . . . . . 57 SER H . 50362 1 203 . 1 . 1 57 57 SER CA C 13 61.447 0.3 . 1 . . . . . 57 SER CA . 50362 1 204 . 1 . 1 57 57 SER CB C 13 62.809 0.3 . 1 . . . . . 57 SER CB . 50362 1 205 . 1 . 1 57 57 SER N N 15 112.445 0.3 . 1 . . . . . 57 SER N . 50362 1 206 . 1 . 1 58 58 GLU H H 1 7.783 0.02 . 1 . . . . . 58 GLU H . 50362 1 207 . 1 . 1 58 58 GLU CA C 13 58.3 0.3 . 1 . . . . . 58 GLU CA . 50362 1 208 . 1 . 1 58 58 GLU CB C 13 29.606 0.3 . 1 . . . . . 58 GLU CB . 50362 1 209 . 1 . 1 58 58 GLU N N 15 119.143 0.3 . 1 . . . . . 58 GLU N . 50362 1 210 . 1 . 1 59 59 LEU H H 1 8.162 0.02 . 1 . . . . . 59 LEU H . 50362 1 211 . 1 . 1 59 59 LEU CA C 13 58.198 0.3 . 1 . . . . . 59 LEU CA . 50362 1 212 . 1 . 1 59 59 LEU CB C 13 41.673 0.3 . 1 . . . . . 59 LEU CB . 50362 1 213 . 1 . 1 59 59 LEU N N 15 121.626 0.3 . 1 . . . . . 59 LEU N . 50362 1 214 . 1 . 1 60 60 ASP H H 1 8.467 0.02 . 1 . . . . . 60 ASP H . 50362 1 215 . 1 . 1 60 60 ASP CA C 13 56.659 0.3 . 1 . . . . . 60 ASP CA . 50362 1 216 . 1 . 1 60 60 ASP CB C 13 40.061 0.3 . 1 . . . . . 60 ASP CB . 50362 1 217 . 1 . 1 60 60 ASP N N 15 120.031 0.3 . 1 . . . . . 60 ASP N . 50362 1 218 . 1 . 1 61 61 LYS H H 1 7.082 0.02 . 1 . . . . . 61 LYS H . 50362 1 219 . 1 . 1 61 61 LYS CA C 13 57.697 0.3 . 1 . . . . . 61 LYS CA . 50362 1 220 . 1 . 1 61 61 LYS CB C 13 33.188 0.3 . 1 . . . . . 61 LYS CB . 50362 1 221 . 1 . 1 61 61 LYS N N 15 117.101 0.3 . 1 . . . . . 61 LYS N . 50362 1 222 . 1 . 1 62 62 CYS H H 1 7.433 0.02 . 1 . . . . . 62 CYS H . 50362 1 223 . 1 . 1 62 62 CYS CA C 13 59.104 0.3 . 1 . . . . . 62 CYS CA . 50362 1 224 . 1 . 1 62 62 CYS CB C 13 27.186 0.3 . 1 . . . . . 62 CYS CB . 50362 1 225 . 1 . 1 62 62 CYS N N 15 118.761 0.3 . 1 . . . . . 62 CYS N . 50362 1 226 . 1 . 1 63 63 ASN H H 1 8.028 0.02 . 1 . . . . . 63 ASN H . 50362 1 227 . 1 . 1 63 63 ASN CA C 13 53.345 0.3 . 1 . . . . . 63 ASN CA . 50362 1 228 . 1 . 1 63 63 ASN CB C 13 40.351 0.3 . 1 . . . . . 63 ASN CB . 50362 1 229 . 1 . 1 63 63 ASN N N 15 120.264 0.3 . 1 . . . . . 63 ASN N . 50362 1 230 . 1 . 1 64 64 GLY H H 1 8.579 0.02 . 1 . . . . . 64 GLY H . 50362 1 231 . 1 . 1 64 64 GLY CA C 13 44.804 0.3 . 1 . . . . . 64 GLY CA . 50362 1 232 . 1 . 1 64 64 GLY N N 15 108.995 0.3 . 1 . . . . . 64 GLY N . 50362 1 233 . 1 . 1 65 65 ASN H H 1 8.727 0.02 . 1 . . . . . 65 ASN H . 50362 1 234 . 1 . 1 65 65 ASN CA C 13 55.26 0.3 . 1 . . . . . 65 ASN CA . 50362 1 235 . 1 . 1 65 65 ASN CB C 13 38.238 0.3 . 1 . . . . . 65 ASN CB . 50362 1 236 . 1 . 1 65 65 ASN N N 15 119.424 0.3 . 1 . . . . . 65 ASN N . 50362 1 237 . 1 . 1 66 66 ASP H H 1 8.571 0.02 . 1 . . . . . 66 ASP H . 50362 1 238 . 1 . 1 66 66 ASP CA C 13 53.503 0.3 . 1 . . . . . 66 ASP CA . 50362 1 239 . 1 . 1 66 66 ASP CB C 13 40.545 0.3 . 1 . . . . . 66 ASP CB . 50362 1 240 . 1 . 1 66 66 ASP N N 15 119.124 0.3 . 1 . . . . . 66 ASP N . 50362 1 241 . 1 . 1 67 67 ALA H H 1 7.593 0.02 . 1 . . . . . 67 ALA H . 50362 1 242 . 1 . 1 67 67 ALA CA C 13 55.889 0.3 . 1 . . . . . 67 ALA CA . 50362 1 243 . 1 . 1 67 67 ALA CB C 13 19.442 0.3 . 1 . . . . . 67 ALA CB . 50362 1 244 . 1 . 1 67 67 ALA N N 15 122.984 0.3 . 1 . . . . . 67 ALA N . 50362 1 245 . 1 . 1 68 68 ASP H H 1 8.517 0.02 . 1 . . . . . 68 ASP H . 50362 1 246 . 1 . 1 68 68 ASP CA C 13 57.764 0.3 . 1 . . . . . 68 ASP CA . 50362 1 247 . 1 . 1 68 68 ASP CB C 13 40.448 0.3 . 1 . . . . . 68 ASP CB . 50362 1 248 . 1 . 1 68 68 ASP N N 15 116.584 0.3 . 1 . . . . . 68 ASP N . 50362 1 249 . 1 . 1 69 69 GLN H H 1 8.114 0.02 . 1 . . . . . 69 GLN H . 50362 1 250 . 1 . 1 69 69 GLN CA C 13 58.801 0.3 . 1 . . . . . 69 GLN CA . 50362 1 251 . 1 . 1 69 69 GLN CB C 13 28.555 0.3 . 1 . . . . . 69 GLN CB . 50362 1 252 . 1 . 1 69 69 GLN N N 15 121.289 0.3 . 1 . . . . . 69 GLN N . 50362 1 253 . 1 . 1 70 70 GLN H H 1 8.312 0.02 . 1 . . . . . 70 GLN H . 50362 1 254 . 1 . 1 70 70 GLN CA C 13 59.104 0.3 . 1 . . . . . 70 GLN CA . 50362 1 255 . 1 . 1 70 70 GLN CB C 13 28.838 0.3 . 1 . . . . . 70 GLN CB . 50362 1 256 . 1 . 1 70 70 GLN N N 15 120.071 0.3 . 1 . . . . . 70 GLN N . 50362 1 257 . 1 . 1 71 71 LYS H H 1 8.56 0.02 . 1 . . . . . 71 LYS H . 50362 1 258 . 1 . 1 71 71 LYS CA C 13 60.642 0.3 . 1 . . . . . 71 LYS CA . 50362 1 259 . 1 . 1 71 71 LYS CB C 13 32.897 0.3 . 1 . . . . . 71 LYS CB . 50362 1 260 . 1 . 1 71 71 LYS N N 15 120.947 0.3 . 1 . . . . . 71 LYS N . 50362 1 261 . 1 . 1 72 72 THR H H 1 8.184 0.02 . 1 . . . . . 72 THR H . 50362 1 262 . 1 . 1 72 72 THR CA C 13 66.738 0.3 . 1 . . . . . 72 THR CA . 50362 1 263 . 1 . 1 72 72 THR CB C 13 68.663 0.3 . 1 . . . . . 72 THR CB . 50362 1 264 . 1 . 1 72 72 THR N N 15 117.546 0.3 . 1 . . . . . 72 THR N . 50362 1 265 . 1 . 1 73 73 THR H H 1 8.536 0.02 . 1 . . . . . 73 THR H . 50362 1 266 . 1 . 1 73 73 THR CA C 13 66.367 0.3 . 1 . . . . . 73 THR CA . 50362 1 267 . 1 . 1 73 73 THR CB C 13 68.617 0.3 . 1 . . . . . 73 THR CB . 50362 1 268 . 1 . 1 73 73 THR N N 15 119.755 0.3 . 1 . . . . . 73 THR N . 50362 1 269 . 1 . 1 74 74 PHE H H 1 8.324 0.02 . 1 . . . . . 74 PHE H . 50362 1 270 . 1 . 1 74 74 PHE CA C 13 61.146 0.3 . 1 . . . . . 74 PHE CA . 50362 1 271 . 1 . 1 74 74 PHE CB C 13 38.807 0.3 . 1 . . . . . 74 PHE CB . 50362 1 272 . 1 . 1 74 74 PHE N N 15 122.865 0.3 . 1 . . . . . 74 PHE N . 50362 1 273 . 1 . 1 75 75 LYS H H 1 8.302 0.02 . 1 . . . . . 75 LYS H . 50362 1 274 . 1 . 1 75 75 LYS CA C 13 60.609 0.3 . 1 . . . . . 75 LYS CA . 50362 1 275 . 1 . 1 75 75 LYS CB C 13 32.704 0.3 . 1 . . . . . 75 LYS CB . 50362 1 276 . 1 . 1 75 75 LYS N N 15 119.763 0.3 . 1 . . . . . 75 LYS N . 50362 1 277 . 1 . 1 76 76 GLN H H 1 7.717 0.02 . 1 . . . . . 76 GLN H . 50362 1 278 . 1 . 1 76 76 GLN CA C 13 58.534 0.3 . 1 . . . . . 76 GLN CA . 50362 1 279 . 1 . 1 76 76 GLN CB C 13 28.638 0.3 . 1 . . . . . 76 GLN CB . 50362 1 280 . 1 . 1 76 76 GLN N N 15 116.735 0.3 . 1 . . . . . 76 GLN N . 50362 1 281 . 1 . 1 77 77 THR H H 1 8.257 0.02 . 1 . . . . . 77 THR H . 50362 1 282 . 1 . 1 77 77 THR CA C 13 65.427 0.3 . 1 . . . . . 77 THR CA . 50362 1 283 . 1 . 1 77 77 THR CB C 13 69.049 0.3 . 1 . . . . . 77 THR CB . 50362 1 284 . 1 . 1 77 77 THR N N 15 117.04 0.3 . 1 . . . . . 77 THR N . 50362 1 285 . 1 . 1 78 78 VAL H H 1 8.076 0.02 . 1 . . . . . 78 VAL H . 50362 1 286 . 1 . 1 78 78 VAL CA C 13 66.635 0.3 . 1 . . . . . 78 VAL CA . 50362 1 287 . 1 . 1 78 78 VAL CB C 13 31.434 0.3 . 1 . . . . . 78 VAL CB . 50362 1 288 . 1 . 1 78 78 VAL N N 15 122.201 0.3 . 1 . . . . . 78 VAL N . 50362 1 289 . 1 . 1 79 79 GLN H H 1 8.083 0.02 . 1 . . . . . 79 GLN H . 50362 1 290 . 1 . 1 79 79 GLN CA C 13 59.539 0.3 . 1 . . . . . 79 GLN CA . 50362 1 291 . 1 . 1 79 79 GLN CB C 13 28.445 0.3 . 1 . . . . . 79 GLN CB . 50362 1 292 . 1 . 1 79 79 GLN N N 15 119.005 0.3 . 1 . . . . . 79 GLN N . 50362 1 293 . 1 . 1 80 80 GLY H H 1 8.159 0.02 . 1 . . . . . 80 GLY H . 50362 1 294 . 1 . 1 80 80 GLY CA C 13 46.837 0.3 . 1 . . . . . 80 GLY CA . 50362 1 295 . 1 . 1 80 80 GLY N N 15 106.053 0.3 . 1 . . . . . 80 GLY N . 50362 1 296 . 1 . 1 81 81 ALA H H 1 8.105 0.02 . 1 . . . . . 81 ALA H . 50362 1 297 . 1 . 1 81 81 ALA CA C 13 54.758 0.3 . 1 . . . . . 81 ALA CA . 50362 1 298 . 1 . 1 81 81 ALA CB C 13 19.442 0.3 . 1 . . . . . 81 ALA CB . 50362 1 299 . 1 . 1 81 81 ALA N N 15 124.407 0.3 . 1 . . . . . 81 ALA N . 50362 1 300 . 1 . 1 82 82 LEU H H 1 8.003 0.02 . 1 . . . . . 82 LEU H . 50362 1 301 . 1 . 1 82 82 LEU CA C 13 56.223 0.3 . 1 . . . . . 82 LEU CA . 50362 1 302 . 1 . 1 82 82 LEU CB C 13 41.711 0.3 . 1 . . . . . 82 LEU CB . 50362 1 303 . 1 . 1 82 82 LEU N N 15 116.769 0.3 . 1 . . . . . 82 LEU N . 50362 1 304 . 1 . 1 83 83 SER H H 1 7.788 0.02 . 1 . . . . . 83 SER H . 50362 1 305 . 1 . 1 83 83 SER CA C 13 60.799 0.3 . 1 . . . . . 83 SER CA . 50362 1 306 . 1 . 1 83 83 SER CB C 13 63.101 0.3 . 1 . . . . . 83 SER CB . 50362 1 307 . 1 . 1 83 83 SER N N 15 115.942 0.3 . 1 . . . . . 83 SER N . 50362 1 308 . 1 . 1 84 84 GLY H H 1 8.048 0.02 . 1 . . . . . 84 GLY H . 50362 1 309 . 1 . 1 84 84 GLY CA C 13 45.385 0.3 . 1 . . . . . 84 GLY CA . 50362 1 310 . 1 . 1 84 84 GLY N N 15 109.127 0.3 . 1 . . . . . 84 GLY N . 50362 1 311 . 1 . 1 85 85 GLY H H 1 7.781 0.02 . 1 . . . . . 85 GLY H . 50362 1 312 . 1 . 1 85 85 GLY CA C 13 44.784 0.3 . 1 . . . . . 85 GLY CA . 50362 1 313 . 1 . 1 85 85 GLY N N 15 108.83 0.3 . 1 . . . . . 85 GLY N . 50362 1 314 . 1 . 1 86 86 ILE H H 1 7.596 0.02 . 1 . . . . . 86 ILE H . 50362 1 315 . 1 . 1 86 86 ILE CA C 13 60.969 0.3 . 1 . . . . . 86 ILE CA . 50362 1 316 . 1 . 1 86 86 ILE CB C 13 39.577 0.3 . 1 . . . . . 86 ILE CB . 50362 1 317 . 1 . 1 86 86 ILE N N 15 118.208 0.3 . 1 . . . . . 86 ILE N . 50362 1 318 . 1 . 1 87 87 ASP H H 1 8.176 0.02 . 1 . . . . . 87 ASP H . 50362 1 319 . 1 . 1 87 87 ASP CA C 13 56.156 0.3 . 1 . . . . . 87 ASP CA . 50362 1 320 . 1 . 1 87 87 ASP CB C 13 40.545 0.3 . 1 . . . . . 87 ASP CB . 50362 1 321 . 1 . 1 87 87 ASP N N 15 122.965 0.3 . 1 . . . . . 87 ASP N . 50362 1 322 . 1 . 1 88 88 GLY H H 1 8.211 0.02 . 1 . . . . . 88 GLY H . 50362 1 323 . 1 . 1 88 88 GLY CA C 13 45.385 0.3 . 1 . . . . . 88 GLY CA . 50362 1 324 . 1 . 1 88 88 GLY N N 15 108.727 0.3 . 1 . . . . . 88 GLY N . 50362 1 325 . 1 . 1 89 89 PHE H H 1 7.798 0.02 . 1 . . . . . 89 PHE H . 50362 1 326 . 1 . 1 89 89 PHE CA C 13 58.549 0.3 . 1 . . . . . 89 PHE CA . 50362 1 327 . 1 . 1 89 89 PHE CB C 13 39.678 0.3 . 1 . . . . . 89 PHE CB . 50362 1 328 . 1 . 1 89 89 PHE N N 15 121.207 0.3 . 1 . . . . . 89 PHE N . 50362 1 329 . 1 . 1 90 90 GLY H H 1 8.178 0.02 . 1 . . . . . 90 GLY H . 50362 1 330 . 1 . 1 90 90 GLY CA C 13 44.873 0.3 . 1 . . . . . 90 GLY CA . 50362 1 331 . 1 . 1 90 90 GLY N N 15 111.693 0.3 . 1 . . . . . 90 GLY N . 50362 1 332 . 1 . 1 91 91 SER H H 1 7.936 0.02 . 1 . . . . . 91 SER H . 50362 1 333 . 1 . 1 91 91 SER CA C 13 58.7 0.3 . 1 . . . . . 91 SER CA . 50362 1 334 . 1 . 1 91 91 SER CB C 13 63.873 0.3 . 1 . . . . . 91 SER CB . 50362 1 335 . 1 . 1 91 91 SER N N 15 115.07 0.3 . 1 . . . . . 91 SER N . 50362 1 336 . 1 . 1 92 92 ASN H H 1 8.449 0.02 . 1 . . . . . 92 ASN H . 50362 1 337 . 1 . 1 92 92 ASN CA C 13 56.686 0.3 . 1 . . . . . 92 ASN CA . 50362 1 338 . 1 . 1 92 92 ASN CB C 13 38.575 0.3 . 1 . . . . . 92 ASN CB . 50362 1 339 . 1 . 1 92 92 ASN N N 15 120.082 0.3 . 1 . . . . . 92 ASN N . 50362 1 340 . 1 . 1 94 94 ALA H H 1 8.209 0.02 . 1 . . . . . 94 ALA H . 50362 1 341 . 1 . 1 94 94 ALA CA C 13 53.032 0.3 . 1 . . . . . 94 ALA CA . 50362 1 342 . 1 . 1 94 94 ALA CB C 13 19.442 0.3 . 1 . . . . . 94 ALA CB . 50362 1 343 . 1 . 1 94 94 ALA N N 15 124.076 0.3 . 1 . . . . . 94 ALA N . 50362 1 344 . 1 . 1 95 95 VAL H H 1 8.123 0.02 . 1 . . . . . 95 VAL H . 50362 1 345 . 1 . 1 95 95 VAL CA C 13 62.084 0.3 . 1 . . . . . 95 VAL CA . 50362 1 346 . 1 . 1 95 95 VAL CB C 13 33.091 0.3 . 1 . . . . . 95 VAL CB . 50362 1 347 . 1 . 1 95 95 VAL N N 15 119.325 0.3 . 1 . . . . . 95 VAL N . 50362 1 348 . 1 . 1 96 96 THR H H 1 8.291 0.02 . 1 . . . . . 96 THR H . 50362 1 349 . 1 . 1 96 96 THR CA C 13 61.581 0.3 . 1 . . . . . 96 THR CA . 50362 1 350 . 1 . 1 96 96 THR CB C 13 69.972 0.3 . 1 . . . . . 96 THR CB . 50362 1 351 . 1 . 1 96 96 THR N N 15 117.275 0.3 . 1 . . . . . 96 THR N . 50362 1 352 . 1 . 1 97 97 THR H H 1 8.148 0.02 . 1 . . . . . 97 THR H . 50362 1 353 . 1 . 1 97 97 THR CA C 13 61.58 0.3 . 1 . . . . . 97 THR CA . 50362 1 354 . 1 . 1 97 97 THR CB C 13 67.876 0.3 . 1 . . . . . 97 THR CB . 50362 1 355 . 1 . 1 97 97 THR N N 15 115.725 0.3 . 1 . . . . . 97 THR N . 50362 1 356 . 1 . 1 98 98 CYS H H 1 8.372 0.02 . 1 . . . . . 98 CYS H . 50362 1 357 . 1 . 1 98 98 CYS CA C 13 58.668 0.3 . 1 . . . . . 98 CYS CA . 50362 1 358 . 1 . 1 98 98 CYS CB C 13 28.257 0.3 . 1 . . . . . 98 CYS CB . 50362 1 359 . 1 . 1 98 98 CYS N N 15 121.07 0.3 . 1 . . . . . 98 CYS N . 50362 1 360 . 1 . 1 99 99 GLY H H 1 8.418 0.02 . 1 . . . . . 99 GLY H . 50362 1 361 . 1 . 1 99 99 GLY CA C 13 45.454 0.3 . 1 . . . . . 99 GLY CA . 50362 1 362 . 1 . 1 99 99 GLY N N 15 111.994 0.3 . 1 . . . . . 99 GLY N . 50362 1 363 . 1 . 1 100 100 ASN H H 1 8.403 0.02 . 1 . . . . . 100 ASN H . 50362 1 364 . 1 . 1 100 100 ASN CA C 13 53.636 0.3 . 1 . . . . . 100 ASN CA . 50362 1 365 . 1 . 1 100 100 ASN CB C 13 39.291 0.3 . 1 . . . . . 100 ASN CB . 50362 1 366 . 1 . 1 100 100 ASN N N 15 118.696 0.3 . 1 . . . . . 100 ASN N . 50362 1 367 . 1 . 1 101 101 GLY H H 1 8.473 0.02 . 1 . . . . . 101 GLY H . 50362 1 368 . 1 . 1 101 101 GLY CA C 13 45.481 0.3 . 1 . . . . . 101 GLY CA . 50362 1 369 . 1 . 1 101 101 GLY N N 15 109.972 0.3 . 1 . . . . . 101 GLY N . 50362 1 370 . 1 . 1 102 102 SER H H 1 7.847 0.02 . 1 . . . . . 102 SER H . 50362 1 371 . 1 . 1 102 102 SER CA C 13 60.001 0.3 . 1 . . . . . 102 SER CA . 50362 1 372 . 1 . 1 102 102 SER CB C 13 65.037 0.3 . 1 . . . . . 102 SER CB . 50362 1 373 . 1 . 1 102 102 SER N N 15 121.381 0.3 . 1 . . . . . 102 SER N . 50362 1 stop_ save_