data_11452 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11452 _Entry.Title ; NMR chemical shift assignments for stomagen from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-01 _Entry.Accession_date 2011-09-27 _Entry.Last_release_date 2012-08-07 _Entry.Original_release_date 2012-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.15 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Shinya Ohki . . . 11452 2 Makoto Takeuchi . . . 11452 3 Masashi Mori . . . 11452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 11452 '15N chemical shifts' 50 11452 '1H chemical shifts' 264 11452 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 . . 2012-08-07 2011-09-01 original author . 11452 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LIY 'BMRB Entry Tracking System' 11452 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11452 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/ncomms1520 _Citation.PubMed_ID 22027592 _Citation.Full_citation . _Citation.Title 'The NMR structure of stomagen reveals the basis of stomatal density regulation by plant peptide hormones' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 2 _Citation.Journal_issue 512 _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 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Shinya Ohki . . . 11452 1 2 Makoto Takeuchi . . . 11452 1 3 Masashi Mori . . . 11452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11452 _Assembly.ID 1 _Assembly.Name stomagen _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'stomagen peptide' 1 $entiy_1 A . yes native no no . . . 11452 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'stomagen peptide' 1 CYS 8 8 SG . 1 'stomagen peptide' 1 CYS 41 41 SG . . CYS 8 . . . CYS 41 . 11452 1 2 disulfide single . 1 'stomagen peptide' 1 CYS 13 13 SG . 1 'stomagen peptide' 1 CYS 20 20 SG . . CYS 13 . . . CYS 20 . 11452 1 3 disulfide single . 1 'stomagen peptide' 1 CYS 16 16 SG . 1 'stomagen peptide' 1 CYS 43 43 SG . . CYS 16 . . . CYS 43 . 11452 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 8 8 HG . 8 CYS . 11452 1 2 . 1 1 CYS 13 13 HG . 13 CYS . 11452 1 3 . 1 1 CYS 16 16 HG . 16 CYS . 11452 1 4 . 1 1 CYS 20 20 HG . 20 CYS . 11452 1 5 . 1 1 CYS 41 41 HG . 41 CYS . 11452 1 6 . 1 1 CYS 43 43 HG . 43 CYS . 11452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entiy_1 _Entity.Sf_category entity _Entity.Sf_framecode entiy_1 _Entity.Entry_ID 11452 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'stomagen peptide' _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 ; IGSTAPTCTYNECRGCRYKC RAEQVPVEGNDPINSAYHYR CVCHR ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LIY . "Plant Peptide Hormone Regulating Stomatal Density" . . . . . 100.00 45 100.00 100.00 1.29e-23 . . . . 11452 1 2 no DBJ BAD43639 . "putative protein [Arabidopsis thaliana]" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 3 no EMBL CAB45496 . "putative protein [Arabidopsis thaliana]" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 4 no EMBL CAB78339 . "putative protein [Arabidopsis thaliana]" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 5 no EMBL CDX80700 . "BnaC08g05340D [Brassica napus]" . . . . . 100.00 101 100.00 100.00 1.18e-24 . . . . 11452 1 6 no EMBL CDY34535 . "BnaA08g04900D [Brassica napus]" . . . . . 100.00 101 100.00 100.00 1.32e-24 . . . . 11452 1 7 no GB AEE83209 . "epidermal patterning factor-like protein 9 [Arabidopsis thaliana]" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 8 no GB EFH39459 . "hypothetical protein ARALYDRAFT_497108 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 102 100.00 100.00 8.09e-25 . . . . 11452 1 9 no GB EOA17576 . "hypothetical protein CARUB_v10005936mg [Capsella rubella]" . . . . . 100.00 154 100.00 100.00 4.87e-25 . . . . 11452 1 10 no GB ESQ56436 . "hypothetical protein EUTSA_v10026516mg [Eutrema salsugineum]" . . . . . 100.00 141 100.00 100.00 7.81e-25 . . . . 11452 1 11 no GB KGN44656 . "EPIDERMAL PATTERNING FACTOR-like protein 9 [Cucumis sativus]" . . . . . 100.00 85 97.78 100.00 5.90e-24 . . . . 11452 1 12 no REF NP_193033 . "epidermal patterning factor-like protein 9 [Arabidopsis thaliana]" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 13 no REF XP_002863200 . "hypothetical protein ARALYDRAFT_497108 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 102 100.00 100.00 8.09e-25 . . . . 11452 1 14 no REF XP_004290145 . "PREDICTED: EPIDERMAL PATTERNING FACTOR-like protein 9 [Fragaria vesca subsp. vesca]" . . . . . 100.00 112 97.78 100.00 3.72e-24 . . . . 11452 1 15 no REF XP_006284678 . "hypothetical protein CARUB_v10005936mg [Capsella rubella]" . . . . . 100.00 154 100.00 100.00 4.87e-25 . . . . 11452 1 16 no REF XP_006414983 . "hypothetical protein EUTSA_v10026516mg [Eutrema salsugineum]" . . . . . 100.00 141 100.00 100.00 7.81e-25 . . . . 11452 1 17 no SP Q9SV72 . "RecName: Full=EPIDERMAL PATTERNING FACTOR-like protein 9; Short=EPF-like protein 9; Contains: RecName: Full=Stomagen; Flags: Pr" . . . . . 100.00 102 100.00 100.00 1.54e-24 . . . . 11452 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'positive regulator of stomatal density' 11452 1 stop_ 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 . ILE . 11452 1 2 . GLY . 11452 1 3 . SER . 11452 1 4 . THR . 11452 1 5 . ALA . 11452 1 6 . PRO . 11452 1 7 . THR . 11452 1 8 . CYS . 11452 1 9 . THR . 11452 1 10 . TYR . 11452 1 11 . ASN . 11452 1 12 . GLU . 11452 1 13 . CYS . 11452 1 14 . ARG . 11452 1 15 . GLY . 11452 1 16 . CYS . 11452 1 17 . ARG . 11452 1 18 . TYR . 11452 1 19 . LYS . 11452 1 20 . CYS . 11452 1 21 . ARG . 11452 1 22 . ALA . 11452 1 23 . GLU . 11452 1 24 . GLN . 11452 1 25 . VAL . 11452 1 26 . PRO . 11452 1 27 . VAL . 11452 1 28 . GLU . 11452 1 29 . GLY . 11452 1 30 . ASN . 11452 1 31 . ASP . 11452 1 32 . PRO . 11452 1 33 . ILE . 11452 1 34 . ASN . 11452 1 35 . SER . 11452 1 36 . ALA . 11452 1 37 . TYR . 11452 1 38 . HIS . 11452 1 39 . TYR . 11452 1 40 . ARG . 11452 1 41 . CYS . 11452 1 42 . VAL . 11452 1 43 . CYS . 11452 1 44 . HIS . 11452 1 45 . ARG . 11452 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 . ILE 1 1 11452 1 . GLY 2 2 11452 1 . SER 3 3 11452 1 . THR 4 4 11452 1 . ALA 5 5 11452 1 . PRO 6 6 11452 1 . THR 7 7 11452 1 . CYS 8 8 11452 1 . THR 9 9 11452 1 . TYR 10 10 11452 1 . ASN 11 11 11452 1 . GLU 12 12 11452 1 . CYS 13 13 11452 1 . ARG 14 14 11452 1 . GLY 15 15 11452 1 . CYS 16 16 11452 1 . ARG 17 17 11452 1 . TYR 18 18 11452 1 . LYS 19 19 11452 1 . CYS 20 20 11452 1 . ARG 21 21 11452 1 . ALA 22 22 11452 1 . GLU 23 23 11452 1 . GLN 24 24 11452 1 . VAL 25 25 11452 1 . PRO 26 26 11452 1 . VAL 27 27 11452 1 . GLU 28 28 11452 1 . GLY 29 29 11452 1 . ASN 30 30 11452 1 . ASP 31 31 11452 1 . PRO 32 32 11452 1 . ILE 33 33 11452 1 . ASN 34 34 11452 1 . SER 35 35 11452 1 . ALA 36 36 11452 1 . TYR 37 37 11452 1 . HIS 38 38 11452 1 . TYR 39 39 11452 1 . ARG 40 40 11452 1 . CYS 41 41 11452 1 . VAL 42 42 11452 1 . CYS 43 43 11452 1 . HIS 44 44 11452 1 . ARG 45 45 11452 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11452 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entiy_1 . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana BY2 'wild type' . . . . . . . . . . . . . . alabidopsis . EPFL9 . . 11452 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 11452 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entiy_1 . 'recombinant technology' 'Nicotiana tabacum' tabacco . 4097 Nicotiana tabacum . . . . . . . . . . . . . . . . pBICER8-C0.3-HuIFN-g-SRz . . . . . . 11452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11452 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Stomagen 'natural abundance' . . 1 $entiy_1 . protein . 0.5 0.6 mM . . . . 11452 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11452 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11452 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11452 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11452 1 6 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11452 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11452 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '100% 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 Stomagen 'natural abundance' . . 1 $entiy_1 . protein . 0.5 0.6 mM . . . . 11452 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11452 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11452 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11452 2 5 D2O 'natural abundance' . . . . . solvent 100 . . % . . . . 11452 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11452 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Stomagen [U-15N] . . 1 $entiy_1 . protein . 0.1 0.2 mM . . . . 11452 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11452 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11452 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11452 3 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11452 3 6 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11452 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11452 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Stomagen '[U-13C; U-15N]' . . 1 $entiy_1 . protein . 0.3 0.4 mM . . . . 11452 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11452 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11452 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11452 4 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11452 4 6 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11452 4 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 11452 _Sample_condition_list.ID 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 5.8 . pH 11452 1 pressure 1 . atm 11452 1 temperature 298 . K 11452 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11452 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11452 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11452 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11452 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11452 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11452 2 'peak picking' 11452 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11452 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11452 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11452 3 'peak picking' 11452 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11452 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11452 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11452 4 'structure solution' 11452 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11452 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11452 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryoprobe . . 11452 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11452 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY no.1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 2 '2D 1H-1H NOESY no.2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 3 '2D 1H-1H TOCSY no.1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 4 '2D 1H-1H TOCSY no.2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 7 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 8 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 10 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11452 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11452 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11452 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . . . . . 11452 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11452 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11452 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY no.1' 1 $sample_1 isotropic 11452 1 2 '2D 1H-1H NOESY no.2' 2 $sample_2 isotropic 11452 1 3 '2D 1H-1H TOCSY no.1' 1 $sample_1 isotropic 11452 1 4 '2D 1H-1H TOCSY no.2' 2 $sample_2 isotropic 11452 1 5 '2D 1H-15N HSQC' 3 $sample_3 isotropic 11452 1 6 '3D 1H-15N NOESY' 3 $sample_3 isotropic 11452 1 7 '3D HNCO' 4 $sample_4 isotropic 11452 1 8 '3D HNCA' 4 $sample_4 isotropic 11452 1 9 '3D CBCA(CO)NH' 4 $sample_4 isotropic 11452 1 10 '3D HNCACB' 4 $sample_4 isotropic 11452 1 11 '3D HCCH-TOCSY' 4 $sample_4 isotropic 11452 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 ILE HA H 1 4.32 0.02 . 1 . . . . 1 ILE HA . 11452 1 2 . 1 1 1 1 ILE HB H 1 1.91 0.02 . 1 . . . . 1 ILE HB . 11452 1 3 . 1 1 1 1 ILE HD11 H 1 0.74 0.02 . 1 . . . . 1 ILE MD . 11452 1 4 . 1 1 1 1 ILE HD12 H 1 0.74 0.02 . 1 . . . . 1 ILE MD . 11452 1 5 . 1 1 1 1 ILE HD13 H 1 0.74 0.02 . 1 . . . . 1 ILE MD . 11452 1 6 . 1 1 1 1 ILE HG12 H 1 1.58 0.02 . 2 . . . . 1 ILE HG12 . 11452 1 7 . 1 1 1 1 ILE HG21 H 1 0.83 0.02 . 1 . . . . 1 ILE MG . 11452 1 8 . 1 1 1 1 ILE HG22 H 1 0.83 0.02 . 1 . . . . 1 ILE MG . 11452 1 9 . 1 1 1 1 ILE HG23 H 1 0.83 0.02 . 1 . . . . 1 ILE MG . 11452 1 10 . 1 1 2 2 GLY H H 1 8.67 0.02 . 1 . . . . 2 GLY H . 11452 1 11 . 1 1 2 2 GLY HA2 H 1 4.08 0.02 . 2 . . . . 2 GLY HA2 . 11452 1 12 . 1 1 2 2 GLY C C 13 173.64 0.2 . 1 . . . . 2 GLY C . 11452 1 13 . 1 1 2 2 GLY CA C 13 45.11 0.2 . 1 . . . . 2 GLY CA . 11452 1 14 . 1 1 2 2 GLY N N 15 113.56 0.1 . 1 . . . . 2 GLY N . 11452 1 15 . 1 1 3 3 SER H H 1 8.4 0.02 . 1 . . . . 3 SER H . 11452 1 16 . 1 1 3 3 SER HA H 1 4.57 0.02 . 1 . . . . 3 SER HA . 11452 1 17 . 1 1 3 3 SER HB2 H 1 3.92 0.02 . 2 . . . . 3 SER HB2 . 11452 1 18 . 1 1 3 3 SER HB3 H 1 3.88 0.02 . 2 . . . . 3 SER HB3 . 11452 1 19 . 1 1 3 3 SER C C 13 174.73 0.2 . 1 . . . . 3 SER C . 11452 1 20 . 1 1 3 3 SER CA C 13 58.22 0.2 . 1 . . . . 3 SER CA . 11452 1 21 . 1 1 3 3 SER N N 15 115.9 0.1 . 1 . . . . 3 SER N . 11452 1 22 . 1 1 4 4 THR H H 1 8.23 0.02 . 1 . . . . 4 THR H . 11452 1 23 . 1 1 4 4 THR HA H 1 4.35 0.02 . 1 . . . . 4 THR HA . 11452 1 24 . 1 1 4 4 THR HB H 1 4.2 0.02 . 1 . . . . 4 THR HB . 11452 1 25 . 1 1 4 4 THR HG1 H 1 4.56 0.02 . 1 . . . . 4 THR HG1 . 11452 1 26 . 1 1 4 4 THR HG21 H 1 1.18 0.02 . 1 . . . . 4 THR MG . 11452 1 27 . 1 1 4 4 THR HG22 H 1 1.18 0.02 . 1 . . . . 4 THR MG . 11452 1 28 . 1 1 4 4 THR HG23 H 1 1.18 0.02 . 1 . . . . 4 THR MG . 11452 1 29 . 1 1 4 4 THR C C 13 173.51 0.2 . 1 . . . . 4 THR C . 11452 1 30 . 1 1 4 4 THR CA C 13 61.61 0.2 . 1 . . . . 4 THR CA . 11452 1 31 . 1 1 4 4 THR CB C 13 69.98 0.2 . 1 . . . . 4 THR CB . 11452 1 32 . 1 1 4 4 THR CG2 C 13 21.72 0.2 . 1 . . . . 4 THR CG2 . 11452 1 33 . 1 1 4 4 THR N N 15 116.14 0.1 . 1 . . . . 4 THR N . 11452 1 34 . 1 1 5 5 ALA H H 1 8.33 0.02 . 1 . . . . 5 ALA H . 11452 1 35 . 1 1 5 5 ALA HA H 1 4.13 0.02 . 1 . . . . 5 ALA HA . 11452 1 36 . 1 1 5 5 ALA HB1 H 1 1.14 0.02 . 1 . . . . 5 ALA MB . 11452 1 37 . 1 1 5 5 ALA HB2 H 1 1.14 0.02 . 1 . . . . 5 ALA MB . 11452 1 38 . 1 1 5 5 ALA HB3 H 1 1.14 0.02 . 1 . . . . 5 ALA MB . 11452 1 39 . 1 1 5 5 ALA C C 13 175.12 0.2 . 1 . . . . 5 ALA C . 11452 1 40 . 1 1 5 5 ALA CA C 13 50.32 0.2 . 1 . . . . 5 ALA CA . 11452 1 41 . 1 1 5 5 ALA CB C 13 18.24 0.2 . 1 . . . . 5 ALA CB . 11452 1 42 . 1 1 5 5 ALA N N 15 128.27 0.1 . 1 . . . . 5 ALA N . 11452 1 43 . 1 1 6 6 PRO HA H 1 4.32 0.02 . 1 . . . . 6 PRO HA . 11452 1 44 . 1 1 6 6 PRO HB2 H 1 1.9 0.02 . 2 . . . . 6 PRO HB2 . 11452 1 45 . 1 1 6 6 PRO HB3 H 1 1.7 0.02 . 2 . . . . 6 PRO HB3 . 11452 1 46 . 1 1 6 6 PRO HD2 H 1 3.38 0.02 . 2 . . . . 6 PRO HD2 . 11452 1 47 . 1 1 6 6 PRO HD3 H 1 3.04 0.02 . 2 . . . . 6 PRO HD3 . 11452 1 48 . 1 1 6 6 PRO HG2 H 1 1.6 0.02 . 2 . . . . 6 PRO HG2 . 11452 1 49 . 1 1 6 6 PRO HG3 H 1 1.5 0.02 . 2 . . . . 6 PRO HG3 . 11452 1 50 . 1 1 6 6 PRO C C 13 175.68 0.2 . 1 . . . . 6 PRO C . 11452 1 51 . 1 1 6 6 PRO CA C 13 62.52 0.2 . 1 . . . . 6 PRO CA . 11452 1 52 . 1 1 6 6 PRO CB C 13 31.73 0.2 . 1 . . . . 6 PRO CB . 11452 1 53 . 1 1 6 6 PRO CD C 13 50.19 0.2 . 1 . . . . 6 PRO CD . 11452 1 54 . 1 1 6 6 PRO CG C 13 26.96 0.2 . 1 . . . . 6 PRO CG . 11452 1 55 . 1 1 7 7 THR H H 1 8.1 0.02 . 1 . . . . 7 THR H . 11452 1 56 . 1 1 7 7 THR HA H 1 4.25 0.02 . 1 . . . . 7 THR HA . 11452 1 57 . 1 1 7 7 THR HB H 1 4.04 0.02 . 1 . . . . 7 THR HB . 11452 1 58 . 1 1 7 7 THR HG21 H 1 1.14 0.02 . 1 . . . . 7 THR MG . 11452 1 59 . 1 1 7 7 THR HG22 H 1 1.14 0.02 . 1 . . . . 7 THR MG . 11452 1 60 . 1 1 7 7 THR HG23 H 1 1.14 0.02 . 1 . . . . 7 THR MG . 11452 1 61 . 1 1 7 7 THR C C 13 174.29 0.2 . 1 . . . . 7 THR C . 11452 1 62 . 1 1 7 7 THR CA C 13 61.63 0.2 . 1 . . . . 7 THR CA . 11452 1 63 . 1 1 7 7 THR CB C 13 70.11 0.2 . 1 . . . . 7 THR CB . 11452 1 64 . 1 1 7 7 THR CG2 C 13 21.63 0.2 . 1 . . . . 7 THR CG2 . 11452 1 65 . 1 1 7 7 THR N N 15 114.15 0.1 . 1 . . . . 7 THR N . 11452 1 66 . 1 1 8 8 CYS H H 1 8.51 0.02 . 1 . . . . 8 CYS H . 11452 1 67 . 1 1 8 8 CYS HA H 1 4.8 0.02 . 1 . . . . 8 CYS HA . 11452 1 68 . 1 1 8 8 CYS HB2 H 1 2.97 0.02 . 2 . . . . 8 CYS HB2 . 11452 1 69 . 1 1 8 8 CYS HB3 H 1 2.87 0.02 . 2 . . . . 8 CYS HB3 . 11452 1 70 . 1 1 8 8 CYS C C 13 174.62 0.2 . 1 . . . . 8 CYS C . 11452 1 71 . 1 1 8 8 CYS CA C 13 55.9 0.2 . 1 . . . . 8 CYS CA . 11452 1 72 . 1 1 8 8 CYS CB C 13 44.57 0.2 . 1 . . . . 8 CYS CB . 11452 1 73 . 1 1 8 8 CYS N N 15 122.13 0.1 . 1 . . . . 8 CYS N . 11452 1 74 . 1 1 9 9 THR H H 1 8.98 0.02 . 1 . . . . 9 THR H . 11452 1 75 . 1 1 9 9 THR HA H 1 4.52 0.02 . 1 . . . . 9 THR HA . 11452 1 76 . 1 1 9 9 THR HB H 1 4.2 0.02 . 1 . . . . 9 THR HB . 11452 1 77 . 1 1 9 9 THR HG1 H 1 4.74 0.02 . 1 . . . . 9 THR HG1 . 11452 1 78 . 1 1 9 9 THR HG21 H 1 1.26 0.02 . 1 . . . . 9 THR MG . 11452 1 79 . 1 1 9 9 THR HG22 H 1 1.26 0.02 . 1 . . . . 9 THR MG . 11452 1 80 . 1 1 9 9 THR HG23 H 1 1.26 0.02 . 1 . . . . 9 THR MG . 11452 1 81 . 1 1 9 9 THR CA C 13 60.95 0.2 . 1 . . . . 9 THR CA . 11452 1 82 . 1 1 9 9 THR CB C 13 71.43 0.2 . 1 . . . . 9 THR CB . 11452 1 83 . 1 1 9 9 THR CG2 C 13 21.84 0.2 . 1 . . . . 9 THR CG2 . 11452 1 84 . 1 1 9 9 THR N N 15 115.93 0.1 . 1 . . . . 9 THR N . 11452 1 85 . 1 1 10 10 TYR H H 1 8.58 0.02 . 1 . . . . 10 TYR H . 11452 1 86 . 1 1 10 10 TYR HA H 1 4.19 0.02 . 1 . . . . 10 TYR HA . 11452 1 87 . 1 1 10 10 TYR HB2 H 1 3.16 0.02 . 2 . . . . 10 TYR HB2 . 11452 1 88 . 1 1 10 10 TYR HB3 H 1 3.01 0.02 . 2 . . . . 10 TYR HB3 . 11452 1 89 . 1 1 10 10 TYR HD1 H 1 7.15 0.02 . 3 . . . . 10 TYR HD1 . 11452 1 90 . 1 1 10 10 TYR HE1 H 1 6.84 0.02 . 3 . . . . 10 TYR HE1 . 11452 1 91 . 1 1 10 10 TYR C C 13 177.69 0.2 . 1 . . . . 10 TYR C . 11452 1 92 . 1 1 10 10 TYR CA C 13 61.13 0.2 . 1 . . . . 10 TYR CA . 11452 1 93 . 1 1 10 10 TYR CB C 13 38.14 0.2 . 1 . . . . 10 TYR CB . 11452 1 94 . 1 1 10 10 TYR N N 15 120.2 0.1 . 1 . . . . 10 TYR N . 11452 1 95 . 1 1 11 11 ASN H H 1 8.16 0.02 . 1 . . . . 11 ASN H . 11452 1 96 . 1 1 11 11 ASN HA H 1 4.33 0.02 . 1 . . . . 11 ASN HA . 11452 1 97 . 1 1 11 11 ASN HB2 H 1 2.68 0.02 . 2 . . . . 11 ASN HB2 . 11452 1 98 . 1 1 11 11 ASN HD21 H 1 7.64 0.02 . 2 . . . . 11 ASN HD21 . 11452 1 99 . 1 1 11 11 ASN HD22 H 1 6.99 0.02 . 2 . . . . 11 ASN HD22 . 11452 1 100 . 1 1 11 11 ASN C C 13 176.83 0.2 . 1 . . . . 11 ASN C . 11452 1 101 . 1 1 11 11 ASN CA C 13 55.25 0.2 . 1 . . . . 11 ASN CA . 11452 1 102 . 1 1 11 11 ASN CB C 13 38.15 0.2 . 1 . . . . 11 ASN CB . 11452 1 103 . 1 1 11 11 ASN N N 15 115.52 0.1 . 1 . . . . 11 ASN N . 11452 1 104 . 1 1 11 11 ASN ND2 N 15 113.64 0.1 . 1 . . . . 11 ASN ND2 . 11452 1 105 . 1 1 12 12 GLU H H 1 7.79 0.02 . 1 . . . . 12 GLU H . 11452 1 106 . 1 1 12 12 GLU HA H 1 4.19 0.02 . 1 . . . . 12 GLU HA . 11452 1 107 . 1 1 12 12 GLU HB2 H 1 2.13 0.02 . 2 . . . . 12 GLU HB2 . 11452 1 108 . 1 1 12 12 GLU HG2 H 1 2.39 0.02 . 2 . . . . 12 GLU HG2 . 11452 1 109 . 1 1 12 12 GLU HG3 H 1 2.27 0.02 . 2 . . . . 12 GLU HG3 . 11452 1 110 . 1 1 12 12 GLU C C 13 177.05 0.2 . 1 . . . . 12 GLU C . 11452 1 111 . 1 1 12 12 GLU CA C 13 58.08 0.2 . 1 . . . . 12 GLU CA . 11452 1 112 . 1 1 12 12 GLU CB C 13 30.84 0.2 . 1 . . . . 12 GLU CB . 11452 1 113 . 1 1 12 12 GLU CG C 13 37.08 0.2 . 1 . . . . 12 GLU CG . 11452 1 114 . 1 1 12 12 GLU N N 15 117.92 0.1 . 1 . . . . 12 GLU N . 11452 1 115 . 1 1 13 13 CYS H H 1 7.55 0.02 . 1 . . . . 13 CYS H . 11452 1 116 . 1 1 13 13 CYS HA H 1 4.72 0.02 . 1 . . . . 13 CYS HA . 11452 1 117 . 1 1 13 13 CYS HB2 H 1 3.16 0.02 . 2 . . . . 13 CYS HB2 . 11452 1 118 . 1 1 13 13 CYS HB3 H 1 2.9 0.02 . 2 . . . . 13 CYS HB3 . 11452 1 119 . 1 1 13 13 CYS C C 13 174.64 0.2 . 1 . . . . 13 CYS C . 11452 1 120 . 1 1 13 13 CYS CA C 13 55.09 0.2 . 1 . . . . 13 CYS CA . 11452 1 121 . 1 1 13 13 CYS CB C 13 41.39 0.2 . 1 . . . . 13 CYS CB . 11452 1 122 . 1 1 13 13 CYS N N 15 116.47 0.1 . 1 . . . . 13 CYS N . 11452 1 123 . 1 1 14 14 ARG H H 1 7.89 0.02 . 1 . . . . 14 ARG H . 11452 1 124 . 1 1 14 14 ARG HA H 1 3.93 0.02 . 1 . . . . 14 ARG HA . 11452 1 125 . 1 1 14 14 ARG HB2 H 1 1.71 0.02 . 2 . . . . 14 ARG HB2 . 11452 1 126 . 1 1 14 14 ARG HB3 H 1 1.67 0.02 . 2 . . . . 14 ARG HB3 . 11452 1 127 . 1 1 14 14 ARG HD2 H 1 3.17 0.02 . 2 . . . . 14 ARG HD2 . 11452 1 128 . 1 1 14 14 ARG HE H 1 7.15 0.02 . 1 . . . . 14 ARG HE . 11452 1 129 . 1 1 14 14 ARG HG2 H 1 1.61 0.02 . 2 . . . . 14 ARG HG2 . 11452 1 130 . 1 1 14 14 ARG HG3 H 1 1.52 0.02 . 2 . . . . 14 ARG HG3 . 11452 1 131 . 1 1 14 14 ARG C C 13 177.62 0.2 . 1 . . . . 14 ARG C . 11452 1 132 . 1 1 14 14 ARG CA C 13 58.03 0.2 . 1 . . . . 14 ARG CA . 11452 1 133 . 1 1 14 14 ARG CB C 13 29.5 0.2 . 1 . . . . 14 ARG CB . 11452 1 134 . 1 1 14 14 ARG CG C 13 26.87 0.2 . 1 . . . . 14 ARG CG . 11452 1 135 . 1 1 14 14 ARG N N 15 122.8 0.1 . 1 . . . . 14 ARG N . 11452 1 136 . 1 1 14 14 ARG NE N 15 111.66 0.1 . 1 . . . . 14 ARG NE . 11452 1 137 . 1 1 15 15 GLY H H 1 8.81 0.02 . 1 . . . . 15 GLY H . 11452 1 138 . 1 1 15 15 GLY HA2 H 1 3.98 0.02 . 2 . . . . 15 GLY HA2 . 11452 1 139 . 1 1 15 15 GLY HA3 H 1 3.78 0.02 . 2 . . . . 15 GLY HA3 . 11452 1 140 . 1 1 15 15 GLY C C 13 174.03 0.2 . 1 . . . . 15 GLY C . 11452 1 141 . 1 1 15 15 GLY CA C 13 45.45 0.2 . 1 . . . . 15 GLY CA . 11452 1 142 . 1 1 15 15 GLY N N 15 112.43 0.1 . 1 . . . . 15 GLY N . 11452 1 143 . 1 1 16 16 CYS H H 1 7.83 0.02 . 1 . . . . 16 CYS H . 11452 1 144 . 1 1 16 16 CYS HA H 1 4.75 0.02 . 1 . . . . 16 CYS HA . 11452 1 145 . 1 1 16 16 CYS HB2 H 1 3.16 0.02 . 2 . . . . 16 CYS HB2 . 11452 1 146 . 1 1 16 16 CYS HB3 H 1 3.1 0.02 . 2 . . . . 16 CYS HB3 . 11452 1 147 . 1 1 16 16 CYS C C 13 175.35 0.2 . 1 . . . . 16 CYS C . 11452 1 148 . 1 1 16 16 CYS CA C 13 54.44 0.2 . 1 . . . . 16 CYS CA . 11452 1 149 . 1 1 16 16 CYS CB C 13 38.57 0.2 . 1 . . . . 16 CYS CB . 11452 1 150 . 1 1 16 16 CYS N N 15 118.33 0.1 . 1 . . . . 16 CYS N . 11452 1 151 . 1 1 17 17 ARG H H 1 8.87 0.02 . 1 . . . . 17 ARG H . 11452 1 152 . 1 1 17 17 ARG HA H 1 4.24 0.02 . 1 . . . . 17 ARG HA . 11452 1 153 . 1 1 17 17 ARG HB2 H 1 1.5 0.02 . 2 . . . . 17 ARG HB2 . 11452 1 154 . 1 1 17 17 ARG HB3 H 1 1.33 0.02 . 2 . . . . 17 ARG HB3 . 11452 1 155 . 1 1 17 17 ARG HD2 H 1 3.05 0.02 . 2 . . . . 17 ARG HD2 . 11452 1 156 . 1 1 17 17 ARG HD3 H 1 3.04 0.02 . 2 . . . . 17 ARG HD3 . 11452 1 157 . 1 1 17 17 ARG HE H 1 7.04 0.02 . 1 . . . . 17 ARG HE . 11452 1 158 . 1 1 17 17 ARG HG2 H 1 1.3 0.02 . 2 . . . . 17 ARG HG2 . 11452 1 159 . 1 1 17 17 ARG HG3 H 1 1.17 0.02 . 2 . . . . 17 ARG HG3 . 11452 1 160 . 1 1 17 17 ARG C C 13 174.94 0.2 . 1 . . . . 17 ARG C . 11452 1 161 . 1 1 17 17 ARG CA C 13 56.04 0.2 . 1 . . . . 17 ARG CA . 11452 1 162 . 1 1 17 17 ARG CB C 13 29.71 0.2 . 1 . . . . 17 ARG CB . 11452 1 163 . 1 1 17 17 ARG CG C 13 26.83 0.2 . 1 . . . . 17 ARG CG . 11452 1 164 . 1 1 17 17 ARG N N 15 128.32 0.1 . 1 . . . . 17 ARG N . 11452 1 165 . 1 1 17 17 ARG NE N 15 111.77 0.1 . 1 . . . . 17 ARG NE . 11452 1 166 . 1 1 18 18 TYR H H 1 7.32 0.02 . 1 . . . . 18 TYR H . 11452 1 167 . 1 1 18 18 TYR HA H 1 4.91 0.02 . 1 . . . . 18 TYR HA . 11452 1 168 . 1 1 18 18 TYR HB2 H 1 3.37 0.02 . 2 . . . . 18 TYR HB2 . 11452 1 169 . 1 1 18 18 TYR HB3 H 1 2.51 0.02 . 2 . . . . 18 TYR HB3 . 11452 1 170 . 1 1 18 18 TYR HD1 H 1 7.09 0.02 . 3 . . . . 18 TYR HD1 . 11452 1 171 . 1 1 18 18 TYR HE1 H 1 6.82 0.02 . 3 . . . . 18 TYR HE1 . 11452 1 172 . 1 1 18 18 TYR C C 13 174.35 0.2 . 1 . . . . 18 TYR C . 11452 1 173 . 1 1 18 18 TYR CA C 13 55.77 0.2 . 1 . . . . 18 TYR CA . 11452 1 174 . 1 1 18 18 TYR CB C 13 38.66 0.2 . 1 . . . . 18 TYR CB . 11452 1 175 . 1 1 18 18 TYR N N 15 120.47 0.1 . 1 . . . . 18 TYR N . 11452 1 176 . 1 1 19 19 LYS H H 1 8.07 0.02 . 1 . . . . 19 LYS H . 11452 1 177 . 1 1 19 19 LYS HA H 1 4.56 0.02 . 1 . . . . 19 LYS HA . 11452 1 178 . 1 1 19 19 LYS HB2 H 1 1.82 0.02 . 2 . . . . 19 LYS HB2 . 11452 1 179 . 1 1 19 19 LYS HD2 H 1 1.71 0.02 . 2 . . . . 19 LYS HD2 . 11452 1 180 . 1 1 19 19 LYS HD3 H 1 1.66 0.02 . 2 . . . . 19 LYS HD3 . 11452 1 181 . 1 1 19 19 LYS HE2 H 1 3.02 0.02 . 2 . . . . 19 LYS HE2 . 11452 1 182 . 1 1 19 19 LYS HG2 H 1 1.49 0.02 . 2 . . . . 19 LYS HG2 . 11452 1 183 . 1 1 19 19 LYS HG3 H 1 1.42 0.02 . 2 . . . . 19 LYS HG3 . 11452 1 184 . 1 1 19 19 LYS C C 13 174.06 0.2 . 1 . . . . 19 LYS C . 11452 1 185 . 1 1 19 19 LYS CA C 13 55.33 0.2 . 1 . . . . 19 LYS CA . 11452 1 186 . 1 1 19 19 LYS CB C 13 33.77 0.2 . 1 . . . . 19 LYS CB . 11452 1 187 . 1 1 19 19 LYS CD C 13 29.5 0.2 . 1 . . . . 19 LYS CD . 11452 1 188 . 1 1 19 19 LYS CG C 13 25.26 0.2 . 1 . . . . 19 LYS CG . 11452 1 189 . 1 1 19 19 LYS N N 15 123.2 0.1 . 1 . . . . 19 LYS N . 11452 1 190 . 1 1 20 20 CYS H H 1 8.7 0.02 . 1 . . . . 20 CYS H . 11452 1 191 . 1 1 20 20 CYS HA H 1 5.32 0.02 . 1 . . . . 20 CYS HA . 11452 1 192 . 1 1 20 20 CYS HB2 H 1 3.2 0.02 . 2 . . . . 20 CYS HB2 . 11452 1 193 . 1 1 20 20 CYS HB3 H 1 2.96 0.02 . 2 . . . . 20 CYS HB3 . 11452 1 194 . 1 1 20 20 CYS C C 13 173.92 0.2 . 1 . . . . 20 CYS C . 11452 1 195 . 1 1 20 20 CYS CA C 13 53.74 0.2 . 1 . . . . 20 CYS CA . 11452 1 196 . 1 1 20 20 CYS CB C 13 42.56 0.2 . 1 . . . . 20 CYS CB . 11452 1 197 . 1 1 20 20 CYS N N 15 124.41 0.1 . 1 . . . . 20 CYS N . 11452 1 198 . 1 1 21 21 ARG H H 1 8.99 0.02 . 1 . . . . 21 ARG H . 11452 1 199 . 1 1 21 21 ARG HA H 1 4.79 0.02 . 1 . . . . 21 ARG HA . 11452 1 200 . 1 1 21 21 ARG HB2 H 1 1.83 0.02 . 2 . . . . 21 ARG HB2 . 11452 1 201 . 1 1 21 21 ARG HB3 H 1 1.76 0.02 . 2 . . . . 21 ARG HB3 . 11452 1 202 . 1 1 21 21 ARG HD2 H 1 3.12 0.02 . 2 . . . . 21 ARG HD2 . 11452 1 203 . 1 1 21 21 ARG HD3 H 1 3.06 0.02 . 2 . . . . 21 ARG HD3 . 11452 1 204 . 1 1 21 21 ARG HE H 1 7.41 0.02 . 1 . . . . 21 ARG HE . 11452 1 205 . 1 1 21 21 ARG HG2 H 1 1.53 0.02 . 2 . . . . 21 ARG HG2 . 11452 1 206 . 1 1 21 21 ARG C C 13 174.05 0.2 . 1 . . . . 21 ARG C . 11452 1 207 . 1 1 21 21 ARG CA C 13 54.28 0.2 . 1 . . . . 21 ARG CA . 11452 1 208 . 1 1 21 21 ARG CB C 13 34.18 0.2 . 1 . . . . 21 ARG CB . 11452 1 209 . 1 1 21 21 ARG CD C 13 43.8 0.2 . 1 . . . . 21 ARG CD . 11452 1 210 . 1 1 21 21 ARG CG C 13 26.44 0.2 . 1 . . . . 21 ARG CG . 11452 1 211 . 1 1 21 21 ARG N N 15 126.3 0.1 . 1 . . . . 21 ARG N . 11452 1 212 . 1 1 21 21 ARG NE N 15 112.13 0.1 . 1 . . . . 21 ARG NE . 11452 1 213 . 1 1 22 22 ALA H H 1 8.62 0.02 . 1 . . . . 22 ALA H . 11452 1 214 . 1 1 22 22 ALA HA H 1 4.91 0.02 . 1 . . . . 22 ALA HA . 11452 1 215 . 1 1 22 22 ALA HB1 H 1 1.19 0.02 . 1 . . . . 22 ALA MB . 11452 1 216 . 1 1 22 22 ALA HB2 H 1 1.19 0.02 . 1 . . . . 22 ALA MB . 11452 1 217 . 1 1 22 22 ALA HB3 H 1 1.19 0.02 . 1 . . . . 22 ALA MB . 11452 1 218 . 1 1 22 22 ALA C C 13 177.36 0.2 . 1 . . . . 22 ALA C . 11452 1 219 . 1 1 22 22 ALA CA C 13 51.76 0.2 . 1 . . . . 22 ALA CA . 11452 1 220 . 1 1 22 22 ALA CB C 13 19.49 0.2 . 1 . . . . 22 ALA CB . 11452 1 221 . 1 1 22 22 ALA N N 15 125.65 0.1 . 1 . . . . 22 ALA N . 11452 1 222 . 1 1 23 23 GLU H H 1 9.22 0.02 . 1 . . . . 23 GLU H . 11452 1 223 . 1 1 23 23 GLU HA H 1 4.74 0.02 . 1 . . . . 23 GLU HA . 11452 1 224 . 1 1 23 23 GLU HB2 H 1 1.86 0.02 . 2 . . . . 23 GLU HB2 . 11452 1 225 . 1 1 23 23 GLU HG2 H 1 2.26 0.02 . 2 . . . . 23 GLU HG2 . 11452 1 226 . 1 1 23 23 GLU HG3 H 1 2.06 0.02 . 2 . . . . 23 GLU HG3 . 11452 1 227 . 1 1 23 23 GLU C C 13 175.13 0.2 . 1 . . . . 23 GLU C . 11452 1 228 . 1 1 23 23 GLU CA C 13 54.87 0.2 . 1 . . . . 23 GLU CA . 11452 1 229 . 1 1 23 23 GLU CB C 13 33.3 0.2 . 1 . . . . 23 GLU CB . 11452 1 230 . 1 1 23 23 GLU CG C 13 35.8 0.2 . 1 . . . . 23 GLU CG . 11452 1 231 . 1 1 23 23 GLU N N 15 122.99 0.1 . 1 . . . . 23 GLU N . 11452 1 232 . 1 1 24 24 GLN H H 1 8.8 0.02 . 1 . . . . 24 GLN H . 11452 1 233 . 1 1 24 24 GLN HA H 1 4.23 0.02 . 1 . . . . 24 GLN HA . 11452 1 234 . 1 1 24 24 GLN HB2 H 1 1.8 0.02 . 2 . . . . 24 GLN HB2 . 11452 1 235 . 1 1 24 24 GLN HE21 H 1 6.99 0.02 . 2 . . . . 24 GLN HE21 . 11452 1 236 . 1 1 24 24 GLN HE22 H 1 6.59 0.02 . 2 . . . . 24 GLN HE22 . 11452 1 237 . 1 1 24 24 GLN HG2 H 1 2.01 0.02 . 2 . . . . 24 GLN HG2 . 11452 1 238 . 1 1 24 24 GLN HG3 H 1 1.87 0.02 . 2 . . . . 24 GLN HG3 . 11452 1 239 . 1 1 24 24 GLN C C 13 175.91 0.2 . 1 . . . . 24 GLN C . 11452 1 240 . 1 1 24 24 GLN CA C 13 56.1 0.2 . 1 . . . . 24 GLN CA . 11452 1 241 . 1 1 24 24 GLN CB C 13 29.12 0.2 . 1 . . . . 24 GLN CB . 11452 1 242 . 1 1 24 24 GLN CG C 13 34.08 0.2 . 1 . . . . 24 GLN CG . 11452 1 243 . 1 1 24 24 GLN N N 15 123.69 0.1 . 1 . . . . 24 GLN N . 11452 1 244 . 1 1 24 24 GLN NE2 N 15 110.94 0.1 . 1 . . . . 24 GLN NE2 . 11452 1 245 . 1 1 25 25 VAL H H 1 8.46 0.02 . 1 . . . . 25 VAL H . 11452 1 246 . 1 1 25 25 VAL HA H 1 4.53 0.02 . 1 . . . . 25 VAL HA . 11452 1 247 . 1 1 25 25 VAL HB H 1 1.97 0.02 . 1 . . . . 25 VAL HB . 11452 1 248 . 1 1 25 25 VAL HG11 H 1 0.93 0.02 . 2 . . . . 25 VAL MG1 . 11452 1 249 . 1 1 25 25 VAL HG12 H 1 0.93 0.02 . 2 . . . . 25 VAL MG1 . 11452 1 250 . 1 1 25 25 VAL HG13 H 1 0.93 0.02 . 2 . . . . 25 VAL MG1 . 11452 1 251 . 1 1 25 25 VAL HG21 H 1 0.78 0.02 . 2 . . . . 25 VAL MG2 . 11452 1 252 . 1 1 25 25 VAL HG22 H 1 0.78 0.02 . 2 . . . . 25 VAL MG2 . 11452 1 253 . 1 1 25 25 VAL HG23 H 1 0.78 0.02 . 2 . . . . 25 VAL MG2 . 11452 1 254 . 1 1 25 25 VAL C C 13 173.86 0.2 . 1 . . . . 25 VAL C . 11452 1 255 . 1 1 25 25 VAL CA C 13 59.31 0.2 . 1 . . . . 25 VAL CA . 11452 1 256 . 1 1 25 25 VAL CB C 13 33 0.2 . 1 . . . . 25 VAL CB . 11452 1 257 . 1 1 25 25 VAL N N 15 124.45 0.1 . 1 . . . . 25 VAL N . 11452 1 258 . 1 1 26 26 PRO HA H 1 4.4 0.02 . 1 . . . . 26 PRO HA . 11452 1 259 . 1 1 26 26 PRO HB2 H 1 2.19 0.02 . 2 . . . . 26 PRO HB2 . 11452 1 260 . 1 1 26 26 PRO HB3 H 1 2.07 0.02 . 2 . . . . 26 PRO HB3 . 11452 1 261 . 1 1 26 26 PRO HD2 H 1 3.87 0.02 . 2 . . . . 26 PRO HD2 . 11452 1 262 . 1 1 26 26 PRO HD3 H 1 3.69 0.02 . 2 . . . . 26 PRO HD3 . 11452 1 263 . 1 1 26 26 PRO HG2 H 1 1.96 0.02 . 2 . . . . 26 PRO HG2 . 11452 1 264 . 1 1 26 26 PRO HG3 H 1 1.84 0.02 . 2 . . . . 26 PRO HG3 . 11452 1 265 . 1 1 26 26 PRO C C 13 176.71 0.2 . 1 . . . . 26 PRO C . 11452 1 266 . 1 1 26 26 PRO CA C 13 62.93 0.2 . 1 . . . . 26 PRO CA . 11452 1 267 . 1 1 26 26 PRO CB C 13 32.02 0.2 . 1 . . . . 26 PRO CB . 11452 1 268 . 1 1 26 26 PRO CD C 13 51.08 0.2 . 1 . . . . 26 PRO CD . 11452 1 269 . 1 1 26 26 PRO CG C 13 27.61 0.2 . 1 . . . . 26 PRO CG . 11452 1 270 . 1 1 27 27 VAL H H 1 8.11 0.02 . 1 . . . . 27 VAL H . 11452 1 271 . 1 1 27 27 VAL HA H 1 4.25 0.02 . 1 . . . . 27 VAL HA . 11452 1 272 . 1 1 27 27 VAL HB H 1 1.83 0.02 . 1 . . . . 27 VAL HB . 11452 1 273 . 1 1 27 27 VAL HG11 H 1 0.81 0.02 . 2 . . . . 27 VAL MG1 . 11452 1 274 . 1 1 27 27 VAL HG12 H 1 0.81 0.02 . 2 . . . . 27 VAL MG1 . 11452 1 275 . 1 1 27 27 VAL HG13 H 1 0.81 0.02 . 2 . . . . 27 VAL MG1 . 11452 1 276 . 1 1 27 27 VAL HG21 H 1 0.74 0.02 . 2 . . . . 27 VAL MG2 . 11452 1 277 . 1 1 27 27 VAL HG22 H 1 0.74 0.02 . 2 . . . . 27 VAL MG2 . 11452 1 278 . 1 1 27 27 VAL HG23 H 1 0.74 0.02 . 2 . . . . 27 VAL MG2 . 11452 1 279 . 1 1 27 27 VAL C C 13 175.95 0.2 . 1 . . . . 27 VAL C . 11452 1 280 . 1 1 27 27 VAL CA C 13 62.37 0.2 . 1 . . . . 27 VAL CA . 11452 1 281 . 1 1 27 27 VAL CB C 13 32.86 0.2 . 1 . . . . 27 VAL CB . 11452 1 282 . 1 1 27 27 VAL CG1 C 13 21.1 0.2 . 2 . . . . 27 VAL CG1 . 11452 1 283 . 1 1 27 27 VAL CG2 C 13 21.1 0.2 . 2 . . . . 27 VAL CG2 . 11452 1 284 . 1 1 27 27 VAL N N 15 120.73 0.1 . 1 . . . . 27 VAL N . 11452 1 285 . 1 1 28 28 GLU H H 1 8.52 0.02 . 1 . . . . 28 GLU H . 11452 1 286 . 1 1 28 28 GLU HA H 1 4.34 0.02 . 1 . . . . 28 GLU HA . 11452 1 287 . 1 1 28 28 GLU HB2 H 1 2.03 0.02 . 2 . . . . 28 GLU HB2 . 11452 1 288 . 1 1 28 28 GLU HB3 H 1 1.92 0.02 . 2 . . . . 28 GLU HB3 . 11452 1 289 . 1 1 28 28 GLU HG2 H 1 2.25 0.02 . 2 . . . . 28 GLU HG2 . 11452 1 290 . 1 1 28 28 GLU C C 13 176.67 0.2 . 1 . . . . 28 GLU C . 11452 1 291 . 1 1 28 28 GLU CA C 13 56.3 0.2 . 1 . . . . 28 GLU CA . 11452 1 292 . 1 1 28 28 GLU CB C 13 30.46 0.2 . 1 . . . . 28 GLU CB . 11452 1 293 . 1 1 28 28 GLU CG C 13 35.03 0.2 . 1 . . . . 28 GLU CG . 11452 1 294 . 1 1 28 28 GLU N N 15 124.93 0.1 . 1 . . . . 28 GLU N . 11452 1 295 . 1 1 29 29 GLY H H 1 8.45 0.02 . 1 . . . . 29 GLY H . 11452 1 296 . 1 1 29 29 GLY HA2 H 1 4.03 0.02 . 2 . . . . 29 GLY HA2 . 11452 1 297 . 1 1 29 29 GLY HA3 H 1 3.85 0.02 . 2 . . . . 29 GLY HA3 . 11452 1 298 . 1 1 29 29 GLY C C 13 173.79 0.2 . 1 . . . . 29 GLY C . 11452 1 299 . 1 1 29 29 GLY N N 15 110.44 0.1 . 1 . . . . 29 GLY N . 11452 1 300 . 1 1 30 30 ASN H H 1 8.32 0.02 . 1 . . . . 30 ASN H . 11452 1 301 . 1 1 30 30 ASN HA H 1 4.72 0.02 . 1 . . . . 30 ASN HA . 11452 1 302 . 1 1 30 30 ASN HB2 H 1 2.8 0.02 . 2 . . . . 30 ASN HB2 . 11452 1 303 . 1 1 30 30 ASN HB3 H 1 2.75 0.02 . 2 . . . . 30 ASN HB3 . 11452 1 304 . 1 1 30 30 ASN HD21 H 1 7.56 0.02 . 2 . . . . 30 ASN HD21 . 11452 1 305 . 1 1 30 30 ASN HD22 H 1 6.9 0.02 . 2 . . . . 30 ASN HD22 . 11452 1 306 . 1 1 30 30 ASN C C 13 174.65 0.2 . 1 . . . . 30 ASN C . 11452 1 307 . 1 1 30 30 ASN CA C 13 52.99 0.2 . 1 . . . . 30 ASN CA . 11452 1 308 . 1 1 30 30 ASN CB C 13 38.97 0.2 . 1 . . . . 30 ASN CB . 11452 1 309 . 1 1 30 30 ASN N N 15 117.8 0.1 . 1 . . . . 30 ASN N . 11452 1 310 . 1 1 30 30 ASN ND2 N 15 112.81 0.1 . 1 . . . . 30 ASN ND2 . 11452 1 311 . 1 1 31 31 ASP H H 1 8.16 0.02 . 1 . . . . 31 ASP H . 11452 1 312 . 1 1 31 31 ASP HA H 1 4.89 0.02 . 1 . . . . 31 ASP HA . 11452 1 313 . 1 1 31 31 ASP HB2 H 1 2.79 0.02 . 2 . . . . 31 ASP HB2 . 11452 1 314 . 1 1 31 31 ASP HB3 H 1 2.57 0.02 . 2 . . . . 31 ASP HB3 . 11452 1 315 . 1 1 31 31 ASP C C 13 174.62 0.2 . 1 . . . . 31 ASP C . 11452 1 316 . 1 1 31 31 ASP CA C 13 52.3 0.2 . 1 . . . . 31 ASP CA . 11452 1 317 . 1 1 31 31 ASP CB C 13 41.44 0.2 . 1 . . . . 31 ASP CB . 11452 1 318 . 1 1 31 31 ASP N N 15 121.43 0.1 . 1 . . . . 31 ASP N . 11452 1 319 . 1 1 32 32 PRO HA H 1 4.39 0.02 . 1 . . . . 32 PRO HA . 11452 1 320 . 1 1 32 32 PRO HB2 H 1 2.5 0.02 . 2 . . . . 32 PRO HB2 . 11452 1 321 . 1 1 32 32 PRO HB3 H 1 2.29 0.02 . 2 . . . . 32 PRO HB3 . 11452 1 322 . 1 1 32 32 PRO HD2 H 1 3.82 0.02 . 2 . . . . 32 PRO HD2 . 11452 1 323 . 1 1 32 32 PRO HD3 H 1 3.81 0.02 . 2 . . . . 32 PRO HD3 . 11452 1 324 . 1 1 32 32 PRO HG2 H 1 2.1 0.02 . 2 . . . . 32 PRO HG2 . 11452 1 325 . 1 1 32 32 PRO HG3 H 1 1.97 0.02 . 2 . . . . 32 PRO HG3 . 11452 1 326 . 1 1 32 32 PRO C C 13 177.47 0.2 . 1 . . . . 32 PRO C . 11452 1 327 . 1 1 32 32 PRO CA C 13 63.99 0.2 . 1 . . . . 32 PRO CA . 11452 1 328 . 1 1 32 32 PRO CB C 13 32.12 0.2 . 1 . . . . 32 PRO CB . 11452 1 329 . 1 1 32 32 PRO CD C 13 50.83 0.2 . 1 . . . . 32 PRO CD . 11452 1 330 . 1 1 32 32 PRO CG C 13 27.29 0.2 . 1 . . . . 32 PRO CG . 11452 1 331 . 1 1 33 33 ILE H H 1 8.13 0.02 . 1 . . . . 33 ILE H . 11452 1 332 . 1 1 33 33 ILE HA H 1 4.11 0.02 . 1 . . . . 33 ILE HA . 11452 1 333 . 1 1 33 33 ILE HB H 1 1.92 0.02 . 1 . . . . 33 ILE HB . 11452 1 334 . 1 1 33 33 ILE HD11 H 1 0.88 0.02 . 1 . . . . 33 ILE MD . 11452 1 335 . 1 1 33 33 ILE HD12 H 1 0.88 0.02 . 1 . . . . 33 ILE MD . 11452 1 336 . 1 1 33 33 ILE HD13 H 1 0.88 0.02 . 1 . . . . 33 ILE MD . 11452 1 337 . 1 1 33 33 ILE HG12 H 1 1.45 0.02 . 2 . . . . 33 ILE HG12 . 11452 1 338 . 1 1 33 33 ILE HG13 H 1 1.22 0.02 . 2 . . . . 33 ILE HG13 . 11452 1 339 . 1 1 33 33 ILE HG21 H 1 0.89 0.02 . 1 . . . . 33 ILE MG . 11452 1 340 . 1 1 33 33 ILE HG22 H 1 0.89 0.02 . 1 . . . . 33 ILE MG . 11452 1 341 . 1 1 33 33 ILE HG23 H 1 0.89 0.02 . 1 . . . . 33 ILE MG . 11452 1 342 . 1 1 33 33 ILE C C 13 176.4 0.2 . 1 . . . . 33 ILE C . 11452 1 343 . 1 1 33 33 ILE CA C 13 61.89 0.2 . 1 . . . . 33 ILE CA . 11452 1 344 . 1 1 33 33 ILE CB C 13 38.16 0.2 . 1 . . . . 33 ILE CB . 11452 1 345 . 1 1 33 33 ILE CD1 C 13 12.83 0.2 . 1 . . . . 33 ILE CD1 . 11452 1 346 . 1 1 33 33 ILE CG1 C 13 27.84 0.2 . 1 . . . . 33 ILE CG1 . 11452 1 347 . 1 1 33 33 ILE CG2 C 13 17.56 0.2 . 1 . . . . 33 ILE CG2 . 11452 1 348 . 1 1 33 33 ILE N N 15 118.74 0.1 . 1 . . . . 33 ILE N . 11452 1 349 . 1 1 34 34 ASN H H 1 8.1 0.02 . 1 . . . . 34 ASN H . 11452 1 350 . 1 1 34 34 ASN HA H 1 4.69 0.02 . 1 . . . . 34 ASN HA . 11452 1 351 . 1 1 34 34 ASN HB2 H 1 2.85 0.02 . 2 . . . . 34 ASN HB2 . 11452 1 352 . 1 1 34 34 ASN HB3 H 1 2.76 0.02 . 2 . . . . 34 ASN HB3 . 11452 1 353 . 1 1 34 34 ASN HD21 H 1 7.84 0.02 . 2 . . . . 34 ASN HD21 . 11452 1 354 . 1 1 34 34 ASN HD22 H 1 6.92 0.02 . 2 . . . . 34 ASN HD22 . 11452 1 355 . 1 1 34 34 ASN C C 13 175.12 0.2 . 1 . . . . 34 ASN C . 11452 1 356 . 1 1 34 34 ASN CA C 13 53.4 0.2 . 1 . . . . 34 ASN CA . 11452 1 357 . 1 1 34 34 ASN CB C 13 38.86 0.2 . 1 . . . . 34 ASN CB . 11452 1 358 . 1 1 34 34 ASN N N 15 119.88 0.1 . 1 . . . . 34 ASN N . 11452 1 359 . 1 1 34 34 ASN ND2 N 15 114.04 0.1 . 1 . . . . 34 ASN ND2 . 11452 1 360 . 1 1 35 35 SER H H 1 7.99 0.02 . 1 . . . . 35 SER H . 11452 1 361 . 1 1 35 35 SER HA H 1 4.36 0.02 . 1 . . . . 35 SER HA . 11452 1 362 . 1 1 35 35 SER HB2 H 1 3.88 0.02 . 2 . . . . 35 SER HB2 . 11452 1 363 . 1 1 35 35 SER HB3 H 1 3.8 0.02 . 2 . . . . 35 SER HB3 . 11452 1 364 . 1 1 35 35 SER C C 13 174.02 0.2 . 1 . . . . 35 SER C . 11452 1 365 . 1 1 35 35 SER CA C 13 58.71 0.2 . 1 . . . . 35 SER CA . 11452 1 366 . 1 1 35 35 SER CB C 13 63.93 0.2 . 1 . . . . 35 SER CB . 11452 1 367 . 1 1 35 35 SER N N 15 115.31 0.1 . 1 . . . . 35 SER N . 11452 1 368 . 1 1 36 36 ALA H H 1 8.1 0.02 . 1 . . . . 36 ALA H . 11452 1 369 . 1 1 36 36 ALA HA H 1 4.31 0.02 . 1 . . . . 36 ALA HA . 11452 1 370 . 1 1 36 36 ALA HB1 H 1 1.27 0.02 . 1 . . . . 36 ALA MB . 11452 1 371 . 1 1 36 36 ALA HB2 H 1 1.27 0.02 . 1 . . . . 36 ALA MB . 11452 1 372 . 1 1 36 36 ALA HB3 H 1 1.27 0.02 . 1 . . . . 36 ALA MB . 11452 1 373 . 1 1 36 36 ALA C C 13 176.99 0.2 . 1 . . . . 36 ALA C . 11452 1 374 . 1 1 36 36 ALA CA C 13 52.33 0.2 . 1 . . . . 36 ALA CA . 11452 1 375 . 1 1 36 36 ALA CB C 13 19.48 0.2 . 1 . . . . 36 ALA CB . 11452 1 376 . 1 1 36 36 ALA N N 15 124.91 0.1 . 1 . . . . 36 ALA N . 11452 1 377 . 1 1 37 37 TYR H H 1 8.03 0.02 . 1 . . . . 37 TYR H . 11452 1 378 . 1 1 37 37 TYR HA H 1 4.7 0.02 . 1 . . . . 37 TYR HA . 11452 1 379 . 1 1 37 37 TYR HB2 H 1 2.83 0.02 . 2 . . . . 37 TYR HB2 . 11452 1 380 . 1 1 37 37 TYR HB3 H 1 2.76 0.02 . 2 . . . . 37 TYR HB3 . 11452 1 381 . 1 1 37 37 TYR HD1 H 1 6.96 0.02 . 3 . . . . 37 TYR HD1 . 11452 1 382 . 1 1 37 37 TYR HE1 H 1 6.76 0.02 . 3 . . . . 37 TYR HE1 . 11452 1 383 . 1 1 37 37 TYR C C 13 175.29 0.2 . 1 . . . . 37 TYR C . 11452 1 384 . 1 1 37 37 TYR CA C 13 57.07 0.2 . 1 . . . . 37 TYR CA . 11452 1 385 . 1 1 37 37 TYR CB C 13 39.6 0.2 . 1 . . . . 37 TYR CB . 11452 1 386 . 1 1 37 37 TYR N N 15 118.22 0.1 . 1 . . . . 37 TYR N . 11452 1 387 . 1 1 38 38 HIS H H 1 8.69 0.02 . 1 . . . . 38 HIS H . 11452 1 388 . 1 1 38 38 HIS HA H 1 4.9 0.02 . 1 . . . . 38 HIS HA . 11452 1 389 . 1 1 38 38 HIS HB2 H 1 3.24 0.02 . 2 . . . . 38 HIS HB2 . 11452 1 390 . 1 1 38 38 HIS HB3 H 1 3.13 0.02 . 2 . . . . 38 HIS HB3 . 11452 1 391 . 1 1 38 38 HIS HD2 H 1 7.2 0.02 . 1 . . . . 38 HIS HD2 . 11452 1 392 . 1 1 38 38 HIS C C 13 173.08 0.2 . 1 . . . . 38 HIS C . 11452 1 393 . 1 1 38 38 HIS CA C 13 54.45 0.2 . 1 . . . . 38 HIS CA . 11452 1 394 . 1 1 38 38 HIS CB C 13 30.51 0.2 . 1 . . . . 38 HIS CB . 11452 1 395 . 1 1 38 38 HIS N N 15 119.34 0.1 . 1 . . . . 38 HIS N . 11452 1 396 . 1 1 39 39 TYR H H 1 8.48 0.02 . 1 . . . . 39 TYR H . 11452 1 397 . 1 1 39 39 TYR HA H 1 5.26 0.02 . 1 . . . . 39 TYR HA . 11452 1 398 . 1 1 39 39 TYR HB2 H 1 2.72 0.02 . 2 . . . . 39 TYR HB2 . 11452 1 399 . 1 1 39 39 TYR HD1 H 1 6.87 0.02 . 3 . . . . 39 TYR HD1 . 11452 1 400 . 1 1 39 39 TYR HE1 H 1 6.8 0.02 . 3 . . . . 39 TYR HE1 . 11452 1 401 . 1 1 39 39 TYR C C 13 174.78 0.2 . 1 . . . . 39 TYR C . 11452 1 402 . 1 1 39 39 TYR CA C 13 57.32 0.2 . 1 . . . . 39 TYR CA . 11452 1 403 . 1 1 39 39 TYR CB C 13 41.41 0.2 . 1 . . . . 39 TYR CB . 11452 1 404 . 1 1 39 39 TYR N N 15 119.34 0.1 . 1 . . . . 39 TYR N . 11452 1 405 . 1 1 40 40 ARG H H 1 9.01 0.02 . 1 . . . . 40 ARG H . 11452 1 406 . 1 1 40 40 ARG HA H 1 4.69 0.02 . 1 . . . . 40 ARG HA . 11452 1 407 . 1 1 40 40 ARG HB2 H 1 1.75 0.02 . 2 . . . . 40 ARG HB2 . 11452 1 408 . 1 1 40 40 ARG HD2 H 1 3.15 0.02 . 2 . . . . 40 ARG HD2 . 11452 1 409 . 1 1 40 40 ARG HE H 1 7.29 0.02 . 1 . . . . 40 ARG HE . 11452 1 410 . 1 1 40 40 ARG HG2 H 1 1.52 0.02 . 2 . . . . 40 ARG HG2 . 11452 1 411 . 1 1 40 40 ARG HH11 H 1 7.14 0.02 . 2 . . . . 40 ARG HH11 . 11452 1 412 . 1 1 40 40 ARG C C 13 174.57 0.2 . 1 . . . . 40 ARG C . 11452 1 413 . 1 1 40 40 ARG CA C 13 54.17 0.2 . 1 . . . . 40 ARG CA . 11452 1 414 . 1 1 40 40 ARG CB C 13 33.75 0.2 . 1 . . . . 40 ARG CB . 11452 1 415 . 1 1 40 40 ARG CD C 13 43.71 0.2 . 1 . . . . 40 ARG CD . 11452 1 416 . 1 1 40 40 ARG CG C 13 26.71 0.2 . 1 . . . . 40 ARG CG . 11452 1 417 . 1 1 40 40 ARG N N 15 119.19 0.1 . 1 . . . . 40 ARG N . 11452 1 418 . 1 1 40 40 ARG NE N 15 111.81 0.1 . 1 . . . . 40 ARG NE . 11452 1 419 . 1 1 41 41 CYS H H 1 8.93 0.02 . 1 . . . . 41 CYS H . 11452 1 420 . 1 1 41 41 CYS HA H 1 5.13 0.02 . 1 . . . . 41 CYS HA . 11452 1 421 . 1 1 41 41 CYS HB2 H 1 2.91 0.02 . 2 . . . . 41 CYS HB2 . 11452 1 422 . 1 1 41 41 CYS HB3 H 1 2.81 0.02 . 2 . . . . 41 CYS HB3 . 11452 1 423 . 1 1 41 41 CYS C C 13 174.11 0.2 . 1 . . . . 41 CYS C . 11452 1 424 . 1 1 41 41 CYS CA C 13 55.9 0.2 . 1 . . . . 41 CYS CA . 11452 1 425 . 1 1 41 41 CYS CB C 13 43.15 0.2 . 1 . . . . 41 CYS CB . 11452 1 426 . 1 1 41 41 CYS N N 15 121.78 0.1 . 1 . . . . 41 CYS N . 11452 1 427 . 1 1 42 42 VAL H H 1 9.21 0.02 . 1 . . . . 42 VAL H . 11452 1 428 . 1 1 42 42 VAL HA H 1 4.44 0.02 . 1 . . . . 42 VAL HA . 11452 1 429 . 1 1 42 42 VAL HB H 1 2.03 0.02 . 1 . . . . 42 VAL HB . 11452 1 430 . 1 1 42 42 VAL HG11 H 1 0.87 0.02 . 2 . . . . 42 VAL MG1 . 11452 1 431 . 1 1 42 42 VAL HG12 H 1 0.87 0.02 . 2 . . . . 42 VAL MG1 . 11452 1 432 . 1 1 42 42 VAL HG13 H 1 0.87 0.02 . 2 . . . . 42 VAL MG1 . 11452 1 433 . 1 1 42 42 VAL C C 13 173.82 0.2 . 1 . . . . 42 VAL C . 11452 1 434 . 1 1 42 42 VAL CA C 13 60.27 0.2 . 1 . . . . 42 VAL CA . 11452 1 435 . 1 1 42 42 VAL CB C 13 35.53 0.2 . 1 . . . . 42 VAL CB . 11452 1 436 . 1 1 42 42 VAL CG1 C 13 21.43 0.2 . 2 . . . . 42 VAL CG1 . 11452 1 437 . 1 1 42 42 VAL CG2 C 13 20.23 0.2 . 2 . . . . 42 VAL CG2 . 11452 1 438 . 1 1 42 42 VAL N N 15 123.39 0.1 . 1 . . . . 42 VAL N . 11452 1 439 . 1 1 43 43 CYS H H 1 8.75 0.02 . 1 . . . . 43 CYS H . 11452 1 440 . 1 1 43 43 CYS HA H 1 5.42 0.02 . 1 . . . . 43 CYS HA . 11452 1 441 . 1 1 43 43 CYS HB2 H 1 3.23 0.02 . 2 . . . . 43 CYS HB2 . 11452 1 442 . 1 1 43 43 CYS HB3 H 1 2.94 0.02 . 2 . . . . 43 CYS HB3 . 11452 1 443 . 1 1 43 43 CYS C C 13 174.48 0.2 . 1 . . . . 43 CYS C . 11452 1 444 . 1 1 43 43 CYS CA C 13 54.21 0.2 . 1 . . . . 43 CYS CA . 11452 1 445 . 1 1 43 43 CYS CB C 13 39.34 0.2 . 1 . . . . 43 CYS CB . 11452 1 446 . 1 1 43 43 CYS N N 15 123.99 0.1 . 1 . . . . 43 CYS N . 11452 1 447 . 1 1 44 44 HIS H H 1 9.33 0.02 . 1 . . . . 44 HIS H . 11452 1 448 . 1 1 44 44 HIS HA H 1 4.85 0.02 . 1 . . . . 44 HIS HA . 11452 1 449 . 1 1 44 44 HIS HB2 H 1 3.22 0.02 . 2 . . . . 44 HIS HB2 . 11452 1 450 . 1 1 44 44 HIS HB3 H 1 3.1 0.02 . 2 . . . . 44 HIS HB3 . 11452 1 451 . 1 1 44 44 HIS HD2 H 1 7.14 0.02 . 1 . . . . 44 HIS HD2 . 11452 1 452 . 1 1 44 44 HIS CA C 13 54.96 0.2 . 1 . . . . 44 HIS CA . 11452 1 453 . 1 1 44 44 HIS CB C 13 31.74 0.2 . 1 . . . . 44 HIS CB . 11452 1 454 . 1 1 44 44 HIS N N 15 126.91 0.1 . 1 . . . . 44 HIS N . 11452 1 455 . 1 1 45 45 ARG H H 1 8.33 0.02 . 1 . . . . 45 ARG H . 11452 1 456 . 1 1 45 45 ARG HA H 1 3.9 0.02 . 1 . . . . 45 ARG HA . 11452 1 457 . 1 1 45 45 ARG HB2 H 1 1.55 0.02 . 2 . . . . 45 ARG HB2 . 11452 1 458 . 1 1 45 45 ARG HB3 H 1 1.39 0.02 . 2 . . . . 45 ARG HB3 . 11452 1 459 . 1 1 45 45 ARG HD2 H 1 2.8 0.02 . 2 . . . . 45 ARG HD2 . 11452 1 460 . 1 1 45 45 ARG HE H 1 6.94 0.02 . 1 . . . . 45 ARG HE . 11452 1 461 . 1 1 45 45 ARG HG2 H 1 1.17 0.02 . 2 . . . . 45 ARG HG2 . 11452 1 462 . 1 1 45 45 ARG HG3 H 1 1.11 0.02 . 2 . . . . 45 ARG HG3 . 11452 1 463 . 1 1 45 45 ARG C C 13 175.17 0.2 . 1 . . . . 45 ARG C . 11452 1 464 . 1 1 45 45 ARG CA C 13 58.63 0.2 . 1 . . . . 45 ARG CA . 11452 1 465 . 1 1 45 45 ARG CB C 13 31.14 0.2 . 1 . . . . 45 ARG CB . 11452 1 466 . 1 1 45 45 ARG N N 15 128.01 0.1 . 1 . . . . 45 ARG N . 11452 1 467 . 1 1 45 45 ARG NE N 15 112.3 0.1 . 1 . . . . 45 ARG NE . 11452 1 stop_ save_