data_34520 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34520 _Entry.Title ; NMR solution structure of the carbohydrate-binding module family 73 (CBM73) from Cellvibrio japonicus CjLPMO10A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-22 _Entry.Accession_date 2020-05-22 _Entry.Last_release_date 2020-06-17 _Entry.Original_release_date 2020-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Madland E. . . . 34520 2 F. Aachmann F. L. . . 34520 3 G. Courtade G. . . . 34520 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SUGAR BINDING PROTEIN' . 34520 cbm . 34520 chitin . 34520 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34520 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 34520 '15N chemical shifts' 67 34520 '1H chemical shifts' 327 34520 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 . . 2022-03-26 2021-03-01 update BMRB 'update entry citation' 34520 1 . . 2021-04-26 2021-03-01 original author 'original release' 34520 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Z41 'BMRB Entry Tracking System' 34520 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34520 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34411561 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 297 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101084 _Citation.Page_last 101084 _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 E. Madland E. . . . 34520 1 2 Z. Forsberg Z. . . . 34520 1 3 Y. Wang Y. . . . 34520 1 4 K. Lindorff-Larsen K. . . . 34520 1 5 A. Niebisch A. . . . 34520 1 6 J. Modregger J. . . . 34520 1 7 V. Eijsink V. G.H. . . 34520 1 8 F. Aachmann F. L. . . 34520 1 9 G. Courtade G. . . . 34520 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34520 _Assembly.ID 1 _Assembly.Name 'Carbohydrate binding protein, putative, cpb33A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34520 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_asym_ID_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_asym_ID_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 . 1 CYS 4 4 SG . 1 . 1 CYS 60 60 SG . . . . . . . . . . . . 34520 1 2 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . . . 34520 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34520 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGNCISPVYVDGSSYANNAL VQNNGSEYRCLVGGWCTVGG PYAPGTGWAWANAWELVRSC QAHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7404.142 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34520 1 2 . GLY . 34520 1 3 . ASN . 34520 1 4 . CYS . 34520 1 5 . ILE . 34520 1 6 . SER . 34520 1 7 . PRO . 34520 1 8 . VAL . 34520 1 9 . TYR . 34520 1 10 . VAL . 34520 1 11 . ASP . 34520 1 12 . GLY . 34520 1 13 . SER . 34520 1 14 . SER . 34520 1 15 . TYR . 34520 1 16 . ALA . 34520 1 17 . ASN . 34520 1 18 . ASN . 34520 1 19 . ALA . 34520 1 20 . LEU . 34520 1 21 . VAL . 34520 1 22 . GLN . 34520 1 23 . ASN . 34520 1 24 . ASN . 34520 1 25 . GLY . 34520 1 26 . SER . 34520 1 27 . GLU . 34520 1 28 . TYR . 34520 1 29 . ARG . 34520 1 30 . CYS . 34520 1 31 . LEU . 34520 1 32 . VAL . 34520 1 33 . GLY . 34520 1 34 . GLY . 34520 1 35 . TRP . 34520 1 36 . CYS . 34520 1 37 . THR . 34520 1 38 . VAL . 34520 1 39 . GLY . 34520 1 40 . GLY . 34520 1 41 . PRO . 34520 1 42 . TYR . 34520 1 43 . ALA . 34520 1 44 . PRO . 34520 1 45 . GLY . 34520 1 46 . THR . 34520 1 47 . GLY . 34520 1 48 . TRP . 34520 1 49 . ALA . 34520 1 50 . TRP . 34520 1 51 . ALA . 34520 1 52 . ASN . 34520 1 53 . ALA . 34520 1 54 . TRP . 34520 1 55 . GLU . 34520 1 56 . LEU . 34520 1 57 . VAL . 34520 1 58 . ARG . 34520 1 59 . SER . 34520 1 60 . CYS . 34520 1 61 . GLN . 34520 1 62 . ALA . 34520 1 63 . HIS . 34520 1 64 . HIS . 34520 1 65 . HIS . 34520 1 66 . HIS . 34520 1 67 . HIS . 34520 1 68 . HIS . 34520 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34520 1 . GLY 2 2 34520 1 . ASN 3 3 34520 1 . CYS 4 4 34520 1 . ILE 5 5 34520 1 . SER 6 6 34520 1 . PRO 7 7 34520 1 . VAL 8 8 34520 1 . TYR 9 9 34520 1 . VAL 10 10 34520 1 . ASP 11 11 34520 1 . GLY 12 12 34520 1 . SER 13 13 34520 1 . SER 14 14 34520 1 . TYR 15 15 34520 1 . ALA 16 16 34520 1 . ASN 17 17 34520 1 . ASN 18 18 34520 1 . ALA 19 19 34520 1 . LEU 20 20 34520 1 . VAL 21 21 34520 1 . GLN 22 22 34520 1 . ASN 23 23 34520 1 . ASN 24 24 34520 1 . GLY 25 25 34520 1 . SER 26 26 34520 1 . GLU 27 27 34520 1 . TYR 28 28 34520 1 . ARG 29 29 34520 1 . CYS 30 30 34520 1 . LEU 31 31 34520 1 . VAL 32 32 34520 1 . GLY 33 33 34520 1 . GLY 34 34 34520 1 . TRP 35 35 34520 1 . CYS 36 36 34520 1 . THR 37 37 34520 1 . VAL 38 38 34520 1 . GLY 39 39 34520 1 . GLY 40 40 34520 1 . PRO 41 41 34520 1 . TYR 42 42 34520 1 . ALA 43 43 34520 1 . PRO 44 44 34520 1 . GLY 45 45 34520 1 . THR 46 46 34520 1 . GLY 47 47 34520 1 . TRP 48 48 34520 1 . ALA 49 49 34520 1 . TRP 50 50 34520 1 . ALA 51 51 34520 1 . ASN 52 52 34520 1 . ALA 53 53 34520 1 . TRP 54 54 34520 1 . GLU 55 55 34520 1 . LEU 56 56 34520 1 . VAL 57 57 34520 1 . ARG 58 58 34520 1 . SER 59 59 34520 1 . CYS 60 60 34520 1 . GLN 61 61 34520 1 . ALA 62 62 34520 1 . HIS 63 63 34520 1 . HIS 64 64 34520 1 . HIS 65 65 34520 1 . HIS 66 66 34520 1 . HIS 67 67 34520 1 . HIS 68 68 34520 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 34520 _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 . 498211 organism . 'Cellvibrio japonicus Ueda107' 'Cellvibrio japonicus' . . Bacteria . Cellvibrio japonicus Ueda107 . . . . . . . . . . 'cbp33A, CJA_2191' . 34520 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 34520 _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 BL21(DE3)' . . 469008 . . . . . . . . pNIC-CH . . . 34520 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34520 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM CBM73, 25 mM sodium phosphate, 10 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBM73 'natural abundance' . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34520 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34520 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34520 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34520 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM CBM73, 25 mM sodium phosphate, 10 mM sodium chloride, 100% D2O' _Sample.Aggregate_sample_number . _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 CBM73 'natural abundance' . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34520 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34520 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34520 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34520 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-15N] CBM73, 25 mM sodium phosphate, 10 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBM73 [U-15N] . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34520 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34520 3 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34520 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34520 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-13C; U-15N] CBM73, 25 mM sodium phosphate, 10 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBM73 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34520 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34520 4 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34520 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 34520 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 55 . mM 34520 1 pH 5.5 . pH 34520 1 pressure 1 . atm 34520 1 temperature 298 . K 34520 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34520 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34520 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34520 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34520 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34520 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34520 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34520 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34520 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34520 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34520 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version 14.6.23 _Software.DOI . _Software.Details ; Elmar Krieger, Keehyoung Joo, Jinwoo Lee,3 Jooyoung Lee, Srivatsan Raman, James Thompson, Mike Tyka, David Baker, and Kevin Karplus ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34520 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34520 4 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 34520 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 80 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 34520 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 80 . . . 34520 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 34520 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 9 '3D HNCA' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34520 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 34520 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34520 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34520 1 N 15 water protons . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34520 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 34520 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34520 1 2 '2D 1H-1H NOESY' . . . 34520 1 3 '2D 1H-15N HSQC' . . . 34520 1 4 '3D CBCA(CO)NH' . . . 34520 1 5 '3D 1H-15N NOESY' . . . 34520 1 6 '2D 1H-13C HSQC' . . . 34520 1 7 '2D 1H-15N HSQC' . . . 34520 1 8 '2D 1H-13C HSQC' . . . 34520 1 9 '3D HNCA' . . . 34520 1 10 '3D HCCH-TOCSY' . . . 34520 1 11 '3D 1H-13C NOESY' . . . 34520 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ASN HA H 1 4.70 0.02 . 1 . . . . A 3 ASN HA . 34520 1 2 . 1 . 1 3 3 ASN HB2 H 1 2.71 0.02 . 2 . . . . A 3 ASN HB2 . 34520 1 3 . 1 . 1 3 3 ASN HB3 H 1 2.61 0.02 . 2 . . . . A 3 ASN HB3 . 34520 1 4 . 1 . 1 3 3 ASN CA C 13 53.1 0.3 . 1 . . . . A 3 ASN CA . 34520 1 5 . 1 . 1 3 3 ASN CB C 13 38.9 0.3 . 1 . . . . A 3 ASN CB . 34520 1 6 . 1 . 1 4 4 CYS H H 1 8.77 0.02 . 1 . . . . A 4 CYS H . 34520 1 7 . 1 . 1 4 4 CYS HA H 1 4.76 0.02 . 1 . . . . A 4 CYS HA . 34520 1 8 . 1 . 1 4 4 CYS HB2 H 1 3.17 0.02 . 2 . . . . A 4 CYS HB2 . 34520 1 9 . 1 . 1 4 4 CYS HB3 H 1 2.80 0.02 . 2 . . . . A 4 CYS HB3 . 34520 1 10 . 1 . 1 4 4 CYS C C 13 174.9 0.3 . 1 . . . . A 4 CYS C . 34520 1 11 . 1 . 1 4 4 CYS CA C 13 54.8 0.3 . 1 . . . . A 4 CYS CA . 34520 1 12 . 1 . 1 4 4 CYS CB C 13 44.0 0.3 . 1 . . . . A 4 CYS CB . 34520 1 13 . 1 . 1 4 4 CYS N N 15 120.1 0.3 . 1 . . . . A 4 CYS N . 34520 1 14 . 1 . 1 5 5 ILE H H 1 9.25 0.02 . 1 . . . . A 5 ILE H . 34520 1 15 . 1 . 1 5 5 ILE HA H 1 4.51 0.02 . 1 . . . . A 5 ILE HA . 34520 1 16 . 1 . 1 5 5 ILE HB H 1 2.12 0.02 . 1 . . . . A 5 ILE HB . 34520 1 17 . 1 . 1 5 5 ILE HG12 H 1 1.15 0.02 . 2 . . . . A 5 ILE HG12 . 34520 1 18 . 1 . 1 5 5 ILE HG13 H 1 0.98 0.02 . 2 . . . . A 5 ILE HG13 . 34520 1 19 . 1 . 1 5 5 ILE HG21 H 1 0.76 0.02 . 1 . . . . A 5 ILE HG21 . 34520 1 20 . 1 . 1 5 5 ILE HG22 H 1 0.76 0.02 . 1 . . . . A 5 ILE HG22 . 34520 1 21 . 1 . 1 5 5 ILE HG23 H 1 0.76 0.02 . 1 . . . . A 5 ILE HG23 . 34520 1 22 . 1 . 1 5 5 ILE HD11 H 1 0.79 0.02 . 1 . . . . A 5 ILE HD11 . 34520 1 23 . 1 . 1 5 5 ILE HD12 H 1 0.79 0.02 . 1 . . . . A 5 ILE HD12 . 34520 1 24 . 1 . 1 5 5 ILE HD13 H 1 0.79 0.02 . 1 . . . . A 5 ILE HD13 . 34520 1 25 . 1 . 1 5 5 ILE C C 13 175.5 0.3 . 1 . . . . A 5 ILE C . 34520 1 26 . 1 . 1 5 5 ILE CA C 13 60.6 0.3 . 1 . . . . A 5 ILE CA . 34520 1 27 . 1 . 1 5 5 ILE CB C 13 39.2 0.3 . 1 . . . . A 5 ILE CB . 34520 1 28 . 1 . 1 5 5 ILE CG1 C 13 26.3 0.3 . 1 . . . . A 5 ILE CG1 . 34520 1 29 . 1 . 1 5 5 ILE CG2 C 13 18.1 0.3 . 1 . . . . A 5 ILE CG2 . 34520 1 30 . 1 . 1 5 5 ILE CD1 C 13 14.2 0.3 . 1 . . . . A 5 ILE CD1 . 34520 1 31 . 1 . 1 5 5 ILE N N 15 118.3 0.3 . 1 . . . . A 5 ILE N . 34520 1 32 . 1 . 1 6 6 SER H H 1 7.29 0.02 . 1 . . . . A 6 SER H . 34520 1 33 . 1 . 1 6 6 SER HA H 1 4.45 0.02 . 1 . . . . A 6 SER HA . 34520 1 34 . 1 . 1 6 6 SER HB2 H 1 3.83 0.02 . 2 . . . . A 6 SER HB2 . 34520 1 35 . 1 . 1 6 6 SER HB3 H 1 3.79 0.02 . 2 . . . . A 6 SER HB3 . 34520 1 36 . 1 . 1 6 6 SER C C 13 172.6 0.3 . 1 . . . . A 6 SER C . 34520 1 37 . 1 . 1 6 6 SER CA C 13 55.5 0.3 . 1 . . . . A 6 SER CA . 34520 1 38 . 1 . 1 6 6 SER CB C 13 61.8 0.3 . 1 . . . . A 6 SER CB . 34520 1 39 . 1 . 1 6 6 SER N N 15 118.6 0.3 . 1 . . . . A 6 SER N . 34520 1 40 . 1 . 1 7 7 PRO HA H 1 4.49 0.02 . 1 . . . . A 7 PRO HA . 34520 1 41 . 1 . 1 7 7 PRO HB2 H 1 2.38 0.02 . 2 . . . . A 7 PRO HB2 . 34520 1 42 . 1 . 1 7 7 PRO HB3 H 1 2.36 0.02 . 2 . . . . A 7 PRO HB3 . 34520 1 43 . 1 . 1 7 7 PRO HG2 H 1 2.16 0.02 . 2 . . . . A 7 PRO HG2 . 34520 1 44 . 1 . 1 7 7 PRO HG3 H 1 2.01 0.02 . 2 . . . . A 7 PRO HG3 . 34520 1 45 . 1 . 1 7 7 PRO HD2 H 1 4.04 0.02 . 2 . . . . A 7 PRO HD2 . 34520 1 46 . 1 . 1 7 7 PRO HD3 H 1 3.75 0.02 . 2 . . . . A 7 PRO HD3 . 34520 1 47 . 1 . 1 7 7 PRO C C 13 175.9 0.3 . 1 . . . . A 7 PRO C . 34520 1 48 . 1 . 1 7 7 PRO CA C 13 62.6 0.3 . 1 . . . . A 7 PRO CA . 34520 1 49 . 1 . 1 7 7 PRO CB C 13 32.6 0.3 . 1 . . . . A 7 PRO CB . 34520 1 50 . 1 . 1 7 7 PRO CG C 13 27.9 0.3 . 1 . . . . A 7 PRO CG . 34520 1 51 . 1 . 1 7 7 PRO CD C 13 50.4 0.3 . 1 . . . . A 7 PRO CD . 34520 1 52 . 1 . 1 8 8 VAL H H 1 8.18 0.02 . 1 . . . . A 8 VAL H . 34520 1 53 . 1 . 1 8 8 VAL HA H 1 4.13 0.02 . 1 . . . . A 8 VAL HA . 34520 1 54 . 1 . 1 8 8 VAL HB H 1 1.96 0.02 . 1 . . . . A 8 VAL HB . 34520 1 55 . 1 . 1 8 8 VAL HG11 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG11 . 34520 1 56 . 1 . 1 8 8 VAL HG12 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG12 . 34520 1 57 . 1 . 1 8 8 VAL HG13 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG13 . 34520 1 58 . 1 . 1 8 8 VAL HG21 H 1 0.95 0.02 . 1 . . . . A 8 VAL HG21 . 34520 1 59 . 1 . 1 8 8 VAL HG22 H 1 0.95 0.02 . 1 . . . . A 8 VAL HG22 . 34520 1 60 . 1 . 1 8 8 VAL HG23 H 1 0.95 0.02 . 1 . . . . A 8 VAL HG23 . 34520 1 61 . 1 . 1 8 8 VAL C C 13 177.3 0.3 . 1 . . . . A 8 VAL C . 34520 1 62 . 1 . 1 8 8 VAL CA C 13 62.7 0.3 . 1 . . . . A 8 VAL CA . 34520 1 63 . 1 . 1 8 8 VAL CB C 13 31.9 0.3 . 1 . . . . A 8 VAL CB . 34520 1 64 . 1 . 1 8 8 VAL CG1 C 13 21.3 0.3 . 1 . . . . A 8 VAL CG1 . 34520 1 65 . 1 . 1 8 8 VAL CG2 C 13 21.6 0.3 . 1 . . . . A 8 VAL CG2 . 34520 1 66 . 1 . 1 8 8 VAL N N 15 119.9 0.3 . 1 . . . . A 8 VAL N . 34520 1 67 . 1 . 1 9 9 TYR H H 1 8.77 0.02 . 1 . . . . A 9 TYR H . 34520 1 68 . 1 . 1 9 9 TYR HA H 1 4.06 0.02 . 1 . . . . A 9 TYR HA . 34520 1 69 . 1 . 1 9 9 TYR HB2 H 1 2.44 0.02 . 2 . . . . A 9 TYR HB2 . 34520 1 70 . 1 . 1 9 9 TYR HB3 H 1 2.39 0.02 . 2 . . . . A 9 TYR HB3 . 34520 1 71 . 1 . 1 9 9 TYR C C 13 173.9 0.3 . 1 . . . . A 9 TYR C . 34520 1 72 . 1 . 1 9 9 TYR CA C 13 59.2 0.3 . 1 . . . . A 9 TYR CA . 34520 1 73 . 1 . 1 9 9 TYR CB C 13 39.0 0.3 . 1 . . . . A 9 TYR CB . 34520 1 74 . 1 . 1 9 9 TYR N N 15 128.6 0.3 . 1 . . . . A 9 TYR N . 34520 1 75 . 1 . 1 10 10 VAL H H 1 7.55 0.02 . 1 . . . . A 10 VAL H . 34520 1 76 . 1 . 1 10 10 VAL HA H 1 3.73 0.02 . 1 . . . . A 10 VAL HA . 34520 1 77 . 1 . 1 10 10 VAL HB H 1 1.70 0.02 . 1 . . . . A 10 VAL HB . 34520 1 78 . 1 . 1 10 10 VAL HG11 H 1 0.83 0.02 . 1 . . . . A 10 VAL HG11 . 34520 1 79 . 1 . 1 10 10 VAL HG12 H 1 0.83 0.02 . 1 . . . . A 10 VAL HG12 . 34520 1 80 . 1 . 1 10 10 VAL HG13 H 1 0.83 0.02 . 1 . . . . A 10 VAL HG13 . 34520 1 81 . 1 . 1 10 10 VAL HG21 H 1 0.68 0.02 . 1 . . . . A 10 VAL HG21 . 34520 1 82 . 1 . 1 10 10 VAL HG22 H 1 0.68 0.02 . 1 . . . . A 10 VAL HG22 . 34520 1 83 . 1 . 1 10 10 VAL HG23 H 1 0.68 0.02 . 1 . . . . A 10 VAL HG23 . 34520 1 84 . 1 . 1 10 10 VAL C C 13 174.9 0.3 . 1 . . . . A 10 VAL C . 34520 1 85 . 1 . 1 10 10 VAL CA C 13 61.5 0.3 . 1 . . . . A 10 VAL CA . 34520 1 86 . 1 . 1 10 10 VAL CB C 13 33.2 0.3 . 1 . . . . A 10 VAL CB . 34520 1 87 . 1 . 1 10 10 VAL CG1 C 13 20.9 0.3 . 1 . . . . A 10 VAL CG1 . 34520 1 88 . 1 . 1 10 10 VAL CG2 C 13 20.7 0.3 . 1 . . . . A 10 VAL CG2 . 34520 1 89 . 1 . 1 10 10 VAL N N 15 130.2 0.3 . 1 . . . . A 10 VAL N . 34520 1 90 . 1 . 1 11 11 ASP H H 1 8.35 0.02 . 1 . . . . A 11 ASP H . 34520 1 91 . 1 . 1 11 11 ASP HA H 1 4.08 0.02 . 1 . . . . A 11 ASP HA . 34520 1 92 . 1 . 1 11 11 ASP HB2 H 1 2.79 0.02 . 2 . . . . A 11 ASP HB2 . 34520 1 93 . 1 . 1 11 11 ASP HB3 H 1 2.58 0.02 . 2 . . . . A 11 ASP HB3 . 34520 1 94 . 1 . 1 11 11 ASP C C 13 176.9 0.3 . 1 . . . . A 11 ASP C . 34520 1 95 . 1 . 1 11 11 ASP CA C 13 56.7 0.3 . 1 . . . . A 11 ASP CA . 34520 1 96 . 1 . 1 11 11 ASP CB C 13 42.2 0.3 . 1 . . . . A 11 ASP CB . 34520 1 97 . 1 . 1 11 11 ASP N N 15 129.0 0.3 . 1 . . . . A 11 ASP N . 34520 1 98 . 1 . 1 12 12 GLY H H 1 9.37 0.02 . 1 . . . . A 12 GLY H . 34520 1 99 . 1 . 1 12 12 GLY HA2 H 1 4.23 0.02 . 2 . . . . A 12 GLY HA2 . 34520 1 100 . 1 . 1 12 12 GLY HA3 H 1 3.75 0.02 . 2 . . . . A 12 GLY HA3 . 34520 1 101 . 1 . 1 12 12 GLY C C 13 175.1 0.3 . 1 . . . . A 12 GLY C . 34520 1 102 . 1 . 1 12 12 GLY CA C 13 45.3 0.3 . 1 . . . . A 12 GLY CA . 34520 1 103 . 1 . 1 12 12 GLY N N 15 117.4 0.3 . 1 . . . . A 12 GLY N . 34520 1 104 . 1 . 1 13 13 SER H H 1 7.75 0.02 . 1 . . . . A 13 SER H . 34520 1 105 . 1 . 1 13 13 SER HA H 1 4.27 0.02 . 1 . . . . A 13 SER HA . 34520 1 106 . 1 . 1 13 13 SER HB2 H 1 3.62 0.02 . 2 . . . . A 13 SER HB2 . 34520 1 107 . 1 . 1 13 13 SER HB3 H 1 3.45 0.02 . 2 . . . . A 13 SER HB3 . 34520 1 108 . 1 . 1 13 13 SER C C 13 171.5 0.3 . 1 . . . . A 13 SER C . 34520 1 109 . 1 . 1 13 13 SER CA C 13 58.3 0.3 . 1 . . . . A 13 SER CA . 34520 1 110 . 1 . 1 13 13 SER CB C 13 63.4 0.3 . 1 . . . . A 13 SER CB . 34520 1 111 . 1 . 1 13 13 SER N N 15 117.4 0.3 . 1 . . . . A 13 SER N . 34520 1 112 . 1 . 1 14 14 SER H H 1 7.79 0.02 . 1 . . . . A 14 SER H . 34520 1 113 . 1 . 1 14 14 SER HA H 1 4.29 0.02 . 1 . . . . A 14 SER HA . 34520 1 114 . 1 . 1 14 14 SER HB2 H 1 3.57 0.02 . 1 . . . . A 14 SER HB2 . 34520 1 115 . 1 . 1 14 14 SER C C 13 173.6 0.3 . 1 . . . . A 14 SER C . 34520 1 116 . 1 . 1 14 14 SER CA C 13 58.4 0.3 . 1 . . . . A 14 SER CA . 34520 1 117 . 1 . 1 14 14 SER CB C 13 63.2 0.3 . 1 . . . . A 14 SER CB . 34520 1 118 . 1 . 1 14 14 SER N N 15 113.6 0.3 . 1 . . . . A 14 SER N . 34520 1 119 . 1 . 1 15 15 TYR H H 1 8.14 0.02 . 1 . . . . A 15 TYR H . 34520 1 120 . 1 . 1 15 15 TYR HA H 1 4.63 0.02 . 1 . . . . A 15 TYR HA . 34520 1 121 . 1 . 1 15 15 TYR HB2 H 1 2.84 0.02 . 2 . . . . A 15 TYR HB2 . 34520 1 122 . 1 . 1 15 15 TYR HB3 H 1 2.26 0.02 . 2 . . . . A 15 TYR HB3 . 34520 1 123 . 1 . 1 15 15 TYR C C 13 173.5 0.3 . 1 . . . . A 15 TYR C . 34520 1 124 . 1 . 1 15 15 TYR CA C 13 58.0 0.3 . 1 . . . . A 15 TYR CA . 34520 1 125 . 1 . 1 15 15 TYR CB C 13 43.8 0.3 . 1 . . . . A 15 TYR CB . 34520 1 126 . 1 . 1 15 15 TYR N N 15 125.6 0.3 . 1 . . . . A 15 TYR N . 34520 1 127 . 1 . 1 16 16 ALA H H 1 8.03 0.02 . 1 . . . . A 16 ALA H . 34520 1 128 . 1 . 1 16 16 ALA HA H 1 4.37 0.02 . 1 . . . . A 16 ALA HA . 34520 1 129 . 1 . 1 16 16 ALA HB1 H 1 1.31 0.02 . 1 . . . . A 16 ALA HB1 . 34520 1 130 . 1 . 1 16 16 ALA HB2 H 1 1.31 0.02 . 1 . . . . A 16 ALA HB2 . 34520 1 131 . 1 . 1 16 16 ALA HB3 H 1 1.31 0.02 . 1 . . . . A 16 ALA HB3 . 34520 1 132 . 1 . 1 16 16 ALA C C 13 177.0 0.3 . 1 . . . . A 16 ALA C . 34520 1 133 . 1 . 1 16 16 ALA CA C 13 49.5 0.3 . 1 . . . . A 16 ALA CA . 34520 1 134 . 1 . 1 16 16 ALA CB C 13 21.2 0.3 . 1 . . . . A 16 ALA CB . 34520 1 135 . 1 . 1 16 16 ALA N N 15 123.9 0.3 . 1 . . . . A 16 ALA N . 34520 1 136 . 1 . 1 17 17 ASN H H 1 8.30 0.02 . 1 . . . . A 17 ASN H . 34520 1 137 . 1 . 1 17 17 ASN HA H 1 3.60 0.02 . 1 . . . . A 17 ASN HA . 34520 1 138 . 1 . 1 17 17 ASN HB2 H 1 2.55 0.02 . 1 . . . . A 17 ASN HB2 . 34520 1 139 . 1 . 1 17 17 ASN HD21 H 1 6.62 0.02 . 1 . . . . A 17 ASN HD21 . 34520 1 140 . 1 . 1 17 17 ASN HD22 H 1 7.37 0.02 . 1 . . . . A 17 ASN HD22 . 34520 1 141 . 1 . 1 17 17 ASN C C 13 176.7 0.3 . 1 . . . . A 17 ASN C . 34520 1 142 . 1 . 1 17 17 ASN CA C 13 55.1 0.3 . 1 . . . . A 17 ASN CA . 34520 1 143 . 1 . 1 17 17 ASN CB C 13 37.4 0.3 . 1 . . . . A 17 ASN CB . 34520 1 144 . 1 . 1 17 17 ASN N N 15 117.5 0.3 . 1 . . . . A 17 ASN N . 34520 1 145 . 1 . 1 17 17 ASN ND2 N 15 111.4 0.3 . 1 . . . . A 17 ASN ND2 . 34520 1 146 . 1 . 1 18 18 ASN H H 1 9.39 0.02 . 1 . . . . A 18 ASN H . 34520 1 147 . 1 . 1 18 18 ASN HA H 1 4.13 0.02 . 1 . . . . A 18 ASN HA . 34520 1 148 . 1 . 1 18 18 ASN HB2 H 1 3.19 0.02 . 2 . . . . A 18 ASN HB2 . 34520 1 149 . 1 . 1 18 18 ASN HB3 H 1 2.95 0.02 . 2 . . . . A 18 ASN HB3 . 34520 1 150 . 1 . 1 18 18 ASN HD21 H 1 6.91 0.02 . 1 . . . . A 18 ASN HD21 . 34520 1 151 . 1 . 1 18 18 ASN HD22 H 1 7.53 0.02 . 1 . . . . A 18 ASN HD22 . 34520 1 152 . 1 . 1 18 18 ASN C C 13 174.3 0.3 . 1 . . . . A 18 ASN C . 34520 1 153 . 1 . 1 18 18 ASN CA C 13 55.7 0.3 . 1 . . . . A 18 ASN CA . 34520 1 154 . 1 . 1 18 18 ASN CB C 13 37.3 0.3 . 1 . . . . A 18 ASN CB . 34520 1 155 . 1 . 1 18 18 ASN N N 15 116.5 0.3 . 1 . . . . A 18 ASN N . 34520 1 156 . 1 . 1 18 18 ASN ND2 N 15 114.4 0.3 . 1 . . . . A 18 ASN ND2 . 34520 1 157 . 1 . 1 19 19 ALA H H 1 7.96 0.02 . 1 . . . . A 19 ALA H . 34520 1 158 . 1 . 1 19 19 ALA HA H 1 4.27 0.02 . 1 . . . . A 19 ALA HA . 34520 1 159 . 1 . 1 19 19 ALA HB1 H 1 1.72 0.02 . 1 . . . . A 19 ALA HB1 . 34520 1 160 . 1 . 1 19 19 ALA HB2 H 1 1.72 0.02 . 1 . . . . A 19 ALA HB2 . 34520 1 161 . 1 . 1 19 19 ALA HB3 H 1 1.72 0.02 . 1 . . . . A 19 ALA HB3 . 34520 1 162 . 1 . 1 19 19 ALA C C 13 176.3 0.3 . 1 . . . . A 19 ALA C . 34520 1 163 . 1 . 1 19 19 ALA CA C 13 54.0 0.3 . 1 . . . . A 19 ALA CA . 34520 1 164 . 1 . 1 19 19 ALA CB C 13 19.9 0.3 . 1 . . . . A 19 ALA CB . 34520 1 165 . 1 . 1 19 19 ALA N N 15 124.0 0.3 . 1 . . . . A 19 ALA N . 34520 1 166 . 1 . 1 20 20 LEU H H 1 7.96 0.02 . 1 . . . . A 20 LEU H . 34520 1 167 . 1 . 1 20 20 LEU HA H 1 5.84 0.02 . 1 . . . . A 20 LEU HA . 34520 1 168 . 1 . 1 20 20 LEU HB2 H 1 1.73 0.02 . 2 . . . . A 20 LEU HB2 . 34520 1 169 . 1 . 1 20 20 LEU HB3 H 1 1.46 0.02 . 2 . . . . A 20 LEU HB3 . 34520 1 170 . 1 . 1 20 20 LEU HG H 1 1.69 0.02 . 1 . . . . A 20 LEU HG . 34520 1 171 . 1 . 1 20 20 LEU HD11 H 1 0.87 0.02 . 1 . . . . A 20 LEU HD11 . 34520 1 172 . 1 . 1 20 20 LEU HD12 H 1 0.87 0.02 . 1 . . . . A 20 LEU HD12 . 34520 1 173 . 1 . 1 20 20 LEU HD13 H 1 0.87 0.02 . 1 . . . . A 20 LEU HD13 . 34520 1 174 . 1 . 1 20 20 LEU HD21 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD21 . 34520 1 175 . 1 . 1 20 20 LEU HD22 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD22 . 34520 1 176 . 1 . 1 20 20 LEU HD23 H 1 0.83 0.02 . 1 . . . . A 20 LEU HD23 . 34520 1 177 . 1 . 1 20 20 LEU C C 13 177.6 0.3 . 1 . . . . A 20 LEU C . 34520 1 178 . 1 . 1 20 20 LEU CA C 13 53.5 0.3 . 1 . . . . A 20 LEU CA . 34520 1 179 . 1 . 1 20 20 LEU CB C 13 45.4 0.3 . 1 . . . . A 20 LEU CB . 34520 1 180 . 1 . 1 20 20 LEU CG C 13 27.2 0.3 . 1 . . . . A 20 LEU CG . 34520 1 181 . 1 . 1 20 20 LEU CD1 C 13 25.6 0.3 . 1 . . . . A 20 LEU CD1 . 34520 1 182 . 1 . 1 20 20 LEU CD2 C 13 24.4 0.3 . 1 . . . . A 20 LEU CD2 . 34520 1 183 . 1 . 1 20 20 LEU N N 15 122.3 0.3 . 1 . . . . A 20 LEU N . 34520 1 184 . 1 . 1 21 21 VAL H H 1 8.80 0.02 . 1 . . . . A 21 VAL H . 34520 1 185 . 1 . 1 21 21 VAL HA H 1 5.27 0.02 . 1 . . . . A 21 VAL HA . 34520 1 186 . 1 . 1 21 21 VAL HB H 1 1.98 0.02 . 1 . . . . A 21 VAL HB . 34520 1 187 . 1 . 1 21 21 VAL HG11 H 1 0.78 0.02 . 1 . . . . A 21 VAL HG11 . 34520 1 188 . 1 . 1 21 21 VAL HG12 H 1 0.78 0.02 . 1 . . . . A 21 VAL HG12 . 34520 1 189 . 1 . 1 21 21 VAL HG13 H 1 0.78 0.02 . 1 . . . . A 21 VAL HG13 . 34520 1 190 . 1 . 1 21 21 VAL HG21 H 1 0.18 0.02 . 1 . . . . A 21 VAL HG21 . 34520 1 191 . 1 . 1 21 21 VAL HG22 H 1 0.18 0.02 . 1 . . . . A 21 VAL HG22 . 34520 1 192 . 1 . 1 21 21 VAL HG23 H 1 0.18 0.02 . 1 . . . . A 21 VAL HG23 . 34520 1 193 . 1 . 1 21 21 VAL C C 13 174.5 0.3 . 1 . . . . A 21 VAL C . 34520 1 194 . 1 . 1 21 21 VAL CA C 13 58.6 0.3 . 1 . . . . A 21 VAL CA . 34520 1 195 . 1 . 1 21 21 VAL CB C 13 36.8 0.3 . 1 . . . . A 21 VAL CB . 34520 1 196 . 1 . 1 21 21 VAL CG1 C 13 23.3 0.3 . 1 . . . . A 21 VAL CG1 . 34520 1 197 . 1 . 1 21 21 VAL CG2 C 13 20.1 0.3 . 1 . . . . A 21 VAL CG2 . 34520 1 198 . 1 . 1 21 21 VAL N N 15 113.6 0.3 . 1 . . . . A 21 VAL N . 34520 1 199 . 1 . 1 22 22 GLN H H 1 8.61 0.02 . 1 . . . . A 22 GLN H . 34520 1 200 . 1 . 1 22 22 GLN HA H 1 5.50 0.02 . 1 . . . . A 22 GLN HA . 34520 1 201 . 1 . 1 22 22 GLN HB2 H 1 1.88 0.02 . 1 . . . . A 22 GLN HB2 . 34520 1 202 . 1 . 1 22 22 GLN HG2 H 1 2.39 0.02 . 1 . . . . A 22 GLN HG2 . 34520 1 203 . 1 . 1 22 22 GLN HE21 H 1 6.69 0.02 . 1 . . . . A 22 GLN HE21 . 34520 1 204 . 1 . 1 22 22 GLN HE22 H 1 7.21 0.02 . 1 . . . . A 22 GLN HE22 . 34520 1 205 . 1 . 1 22 22 GLN C C 13 175.6 0.3 . 1 . . . . A 22 GLN C . 34520 1 206 . 1 . 1 22 22 GLN CA C 13 53.8 0.3 . 1 . . . . A 22 GLN CA . 34520 1 207 . 1 . 1 22 22 GLN CB C 13 32.6 0.3 . 1 . . . . A 22 GLN CB . 34520 1 208 . 1 . 1 22 22 GLN CG C 13 34.9 0.3 . 1 . . . . A 22 GLN CG . 34520 1 209 . 1 . 1 22 22 GLN N N 15 117.8 0.3 . 1 . . . . A 22 GLN N . 34520 1 210 . 1 . 1 22 22 GLN NE2 N 15 113.8 0.3 . 1 . . . . A 22 GLN NE2 . 34520 1 211 . 1 . 1 23 23 ASN H H 1 9.08 0.02 . 1 . . . . A 23 ASN H . 34520 1 212 . 1 . 1 23 23 ASN HA H 1 5.01 0.02 . 1 . . . . A 23 ASN HA . 34520 1 213 . 1 . 1 23 23 ASN HB2 H 1 2.11 0.02 . 2 . . . . A 23 ASN HB2 . 34520 1 214 . 1 . 1 23 23 ASN HB3 H 1 1.87 0.02 . 2 . . . . A 23 ASN HB3 . 34520 1 215 . 1 . 1 23 23 ASN HD21 H 1 7.01 0.02 . 1 . . . . A 23 ASN HD21 . 34520 1 216 . 1 . 1 23 23 ASN HD22 H 1 7.33 0.02 . 1 . . . . A 23 ASN HD22 . 34520 1 217 . 1 . 1 23 23 ASN C C 13 174.9 0.3 . 1 . . . . A 23 ASN C . 34520 1 218 . 1 . 1 23 23 ASN CA C 13 53.3 0.3 . 1 . . . . A 23 ASN CA . 34520 1 219 . 1 . 1 23 23 ASN CB C 13 42.0 0.3 . 1 . . . . A 23 ASN CB . 34520 1 220 . 1 . 1 23 23 ASN N N 15 118.8 0.3 . 1 . . . . A 23 ASN N . 34520 1 221 . 1 . 1 23 23 ASN ND2 N 15 113.3 0.3 . 1 . . . . A 23 ASN ND2 . 34520 1 222 . 1 . 1 24 24 ASN H H 1 9.25 0.02 . 1 . . . . A 24 ASN H . 34520 1 223 . 1 . 1 24 24 ASN HA H 1 4.72 0.02 . 1 . . . . A 24 ASN HA . 34520 1 224 . 1 . 1 24 24 ASN HB2 H 1 2.88 0.02 . 2 . . . . A 24 ASN HB2 . 34520 1 225 . 1 . 1 24 24 ASN HB3 H 1 2.39 0.02 . 2 . . . . A 24 ASN HB3 . 34520 1 226 . 1 . 1 24 24 ASN HD21 H 1 6.86 0.02 . 1 . . . . A 24 ASN HD21 . 34520 1 227 . 1 . 1 24 24 ASN HD22 H 1 7.46 0.02 . 1 . . . . A 24 ASN HD22 . 34520 1 228 . 1 . 1 24 24 ASN C C 13 175.2 0.3 . 1 . . . . A 24 ASN C . 34520 1 229 . 1 . 1 24 24 ASN CA C 13 53.3 0.3 . 1 . . . . A 24 ASN CA . 34520 1 230 . 1 . 1 24 24 ASN CB C 13 38.0 0.3 . 1 . . . . A 24 ASN CB . 34520 1 231 . 1 . 1 24 24 ASN N N 15 125.3 0.3 . 1 . . . . A 24 ASN N . 34520 1 232 . 1 . 1 24 24 ASN ND2 N 15 113.0 0.3 . 1 . . . . A 24 ASN ND2 . 34520 1 233 . 1 . 1 25 25 GLY H H 1 8.89 0.02 . 1 . . . . A 25 GLY H . 34520 1 234 . 1 . 1 25 25 GLY HA2 H 1 4.13 0.02 . 2 . . . . A 25 GLY HA2 . 34520 1 235 . 1 . 1 25 25 GLY HA3 H 1 3.58 0.02 . 2 . . . . A 25 GLY HA3 . 34520 1 236 . 1 . 1 25 25 GLY C C 13 174.2 0.3 . 1 . . . . A 25 GLY C . 34520 1 237 . 1 . 1 25 25 GLY CA C 13 45.9 0.3 . 1 . . . . A 25 GLY CA . 34520 1 238 . 1 . 1 25 25 GLY N N 15 105.4 0.3 . 1 . . . . A 25 GLY N . 34520 1 239 . 1 . 1 26 26 SER H H 1 7.60 0.02 . 1 . . . . A 26 SER H . 34520 1 240 . 1 . 1 26 26 SER HA H 1 4.85 0.02 . 1 . . . . A 26 SER HA . 34520 1 241 . 1 . 1 26 26 SER HB2 H 1 3.29 0.02 . 2 . . . . A 26 SER HB2 . 34520 1 242 . 1 . 1 26 26 SER HB3 H 1 3.27 0.02 . 2 . . . . A 26 SER HB3 . 34520 1 243 . 1 . 1 26 26 SER C C 13 169.5 0.3 . 1 . . . . A 26 SER C . 34520 1 244 . 1 . 1 26 26 SER CA C 13 58.2 0.3 . 1 . . . . A 26 SER CA . 34520 1 245 . 1 . 1 26 26 SER CB C 13 66.9 0.3 . 1 . . . . A 26 SER CB . 34520 1 246 . 1 . 1 26 26 SER N N 15 116.7 0.3 . 1 . . . . A 26 SER N . 34520 1 247 . 1 . 1 27 27 GLU H H 1 8.71 0.02 . 1 . . . . A 27 GLU H . 34520 1 248 . 1 . 1 27 27 GLU HA H 1 5.25 0.02 . 1 . . . . A 27 GLU HA . 34520 1 249 . 1 . 1 27 27 GLU HB3 H 1 1.71 0.02 . 1 . . . . A 27 GLU HB3 . 34520 1 250 . 1 . 1 27 27 GLU HG2 H 1 2.07 0.02 . 2 . . . . A 27 GLU HG2 . 34520 1 251 . 1 . 1 27 27 GLU HG3 H 1 1.89 0.02 . 2 . . . . A 27 GLU HG3 . 34520 1 252 . 1 . 1 27 27 GLU C C 13 174.2 0.3 . 1 . . . . A 27 GLU C . 34520 1 253 . 1 . 1 27 27 GLU CA C 13 54.5 0.3 . 1 . . . . A 27 GLU CA . 34520 1 254 . 1 . 1 27 27 GLU CB C 13 33.6 0.3 . 1 . . . . A 27 GLU CB . 34520 1 255 . 1 . 1 27 27 GLU CG C 13 38.6 0.3 . 1 . . . . A 27 GLU CG . 34520 1 256 . 1 . 1 27 27 GLU N N 15 124.6 0.3 . 1 . . . . A 27 GLU N . 34520 1 257 . 1 . 1 28 28 TYR H H 1 9.32 0.02 . 1 . . . . A 28 TYR H . 34520 1 258 . 1 . 1 28 28 TYR HA H 1 5.37 0.02 . 1 . . . . A 28 TYR HA . 34520 1 259 . 1 . 1 28 28 TYR HB2 H 1 2.77 0.02 . 2 . . . . A 28 TYR HB2 . 34520 1 260 . 1 . 1 28 28 TYR HB3 H 1 1.96 0.02 . 2 . . . . A 28 TYR HB3 . 34520 1 261 . 1 . 1 28 28 TYR C C 13 173.2 0.3 . 1 . . . . A 28 TYR C . 34520 1 262 . 1 . 1 28 28 TYR CA C 13 56.7 0.3 . 1 . . . . A 28 TYR CA . 34520 1 263 . 1 . 1 28 28 TYR CB C 13 43.7 0.3 . 1 . . . . A 28 TYR CB . 34520 1 264 . 1 . 1 28 28 TYR N N 15 124.5 0.3 . 1 . . . . A 28 TYR N . 34520 1 265 . 1 . 1 29 29 ARG H H 1 9.49 0.02 . 1 . . . . A 29 ARG H . 34520 1 266 . 1 . 1 29 29 ARG HA H 1 5.65 0.02 . 1 . . . . A 29 ARG HA . 34520 1 267 . 1 . 1 29 29 ARG HB2 H 1 1.84 0.02 . 2 . . . . A 29 ARG HB2 . 34520 1 268 . 1 . 1 29 29 ARG HB3 H 1 1.51 0.02 . 2 . . . . A 29 ARG HB3 . 34520 1 269 . 1 . 1 29 29 ARG HG2 H 1 1.33 0.02 . 2 . . . . A 29 ARG HG2 . 34520 1 270 . 1 . 1 29 29 ARG HG3 H 1 1.29 0.02 . 2 . . . . A 29 ARG HG3 . 34520 1 271 . 1 . 1 29 29 ARG HD2 H 1 3.28 0.02 . 2 . . . . A 29 ARG HD2 . 34520 1 272 . 1 . 1 29 29 ARG HD3 H 1 3.13 0.02 . 2 . . . . A 29 ARG HD3 . 34520 1 273 . 1 . 1 29 29 ARG C C 13 176.6 0.3 . 1 . . . . A 29 ARG C . 34520 1 274 . 1 . 1 29 29 ARG CA C 13 53.6 0.3 . 1 . . . . A 29 ARG CA . 34520 1 275 . 1 . 1 29 29 ARG CB C 13 34.4 0.3 . 1 . . . . A 29 ARG CB . 34520 1 276 . 1 . 1 29 29 ARG CG C 13 27.9 0.3 . 1 . . . . A 29 ARG CG . 34520 1 277 . 1 . 1 29 29 ARG CD C 13 43.2 0.3 . 1 . . . . A 29 ARG CD . 34520 1 278 . 1 . 1 29 29 ARG N N 15 121.3 0.3 . 1 . . . . A 29 ARG N . 34520 1 279 . 1 . 1 30 30 CYS H H 1 9.61 0.02 . 1 . . . . A 30 CYS H . 34520 1 280 . 1 . 1 30 30 CYS HA H 1 3.63 0.02 . 1 . . . . A 30 CYS HA . 34520 1 281 . 1 . 1 30 30 CYS HB2 H 1 2.15 0.02 . 1 . . . . A 30 CYS HB2 . 34520 1 282 . 1 . 1 30 30 CYS C C 13 175.0 0.3 . 1 . . . . A 30 CYS C . 34520 1 283 . 1 . 1 30 30 CYS CA C 13 58.2 0.3 . 1 . . . . A 30 CYS CA . 34520 1 284 . 1 . 1 30 30 CYS CB C 13 41.3 0.3 . 1 . . . . A 30 CYS CB . 34520 1 285 . 1 . 1 30 30 CYS N N 15 128.2 0.3 . 1 . . . . A 30 CYS N . 34520 1 286 . 1 . 1 31 31 LEU H H 1 9.62 0.02 . 1 . . . . A 31 LEU H . 34520 1 287 . 1 . 1 31 31 LEU HA H 1 5.52 0.02 . 1 . . . . A 31 LEU HA . 34520 1 288 . 1 . 1 31 31 LEU HB2 H 1 1.51 0.02 . 2 . . . . A 31 LEU HB2 . 34520 1 289 . 1 . 1 31 31 LEU HB3 H 1 1.47 0.02 . 2 . . . . A 31 LEU HB3 . 34520 1 290 . 1 . 1 31 31 LEU HD11 H 1 0.85 0.02 . 1 . . . . A 31 LEU HD11 . 34520 1 291 . 1 . 1 31 31 LEU HD12 H 1 0.85 0.02 . 1 . . . . A 31 LEU HD12 . 34520 1 292 . 1 . 1 31 31 LEU HD13 H 1 0.85 0.02 . 1 . . . . A 31 LEU HD13 . 34520 1 293 . 1 . 1 31 31 LEU HD21 H 1 0.83 0.02 . 1 . . . . A 31 LEU HD21 . 34520 1 294 . 1 . 1 31 31 LEU HD22 H 1 0.83 0.02 . 1 . . . . A 31 LEU HD22 . 34520 1 295 . 1 . 1 31 31 LEU HD23 H 1 0.83 0.02 . 1 . . . . A 31 LEU HD23 . 34520 1 296 . 1 . 1 31 31 LEU C C 13 177.1 0.3 . 1 . . . . A 31 LEU C . 34520 1 297 . 1 . 1 31 31 LEU CA C 13 55.6 0.3 . 1 . . . . A 31 LEU CA . 34520 1 298 . 1 . 1 31 31 LEU CB C 13 43.4 0.3 . 1 . . . . A 31 LEU CB . 34520 1 299 . 1 . 1 31 31 LEU CD1 C 13 17.5 0.3 . 1 . . . . A 31 LEU CD1 . 34520 1 300 . 1 . 1 31 31 LEU CD2 C 13 17.5 0.3 . 1 . . . . A 31 LEU CD2 . 34520 1 301 . 1 . 1 31 31 LEU N N 15 132.0 0.3 . 1 . . . . A 31 LEU N . 34520 1 302 . 1 . 1 32 32 VAL H H 1 6.68 0.02 . 1 . . . . A 32 VAL H . 34520 1 303 . 1 . 1 32 32 VAL HA H 1 4.01 0.02 . 1 . . . . A 32 VAL HA . 34520 1 304 . 1 . 1 32 32 VAL HB H 1 1.76 0.02 . 1 . . . . A 32 VAL HB . 34520 1 305 . 1 . 1 32 32 VAL HG11 H 1 0.62 0.02 . 1 . . . . A 32 VAL HG11 . 34520 1 306 . 1 . 1 32 32 VAL HG12 H 1 0.62 0.02 . 1 . . . . A 32 VAL HG12 . 34520 1 307 . 1 . 1 32 32 VAL HG13 H 1 0.62 0.02 . 1 . . . . A 32 VAL HG13 . 34520 1 308 . 1 . 1 32 32 VAL HG21 H 1 -0.128 0.02 . 1 . . . . A 32 VAL HG21 . 34520 1 309 . 1 . 1 32 32 VAL HG22 H 1 -0.128 0.02 . 1 . . . . A 32 VAL HG22 . 34520 1 310 . 1 . 1 32 32 VAL HG23 H 1 -0.128 0.02 . 1 . . . . A 32 VAL HG23 . 34520 1 311 . 1 . 1 32 32 VAL C C 13 175.1 0.3 . 1 . . . . A 32 VAL C . 34520 1 312 . 1 . 1 32 32 VAL CA C 13 60.5 0.3 . 1 . . . . A 32 VAL CA . 34520 1 313 . 1 . 1 32 32 VAL CB C 13 33.8 0.3 . 1 . . . . A 32 VAL CB . 34520 1 314 . 1 . 1 32 32 VAL CG1 C 13 19.6 0.3 . 1 . . . . A 32 VAL CG1 . 34520 1 315 . 1 . 1 32 32 VAL CG2 C 13 20.149 0.3 . 1 . . . . A 32 VAL CG2 . 34520 1 316 . 1 . 1 32 32 VAL N N 15 118.4 0.3 . 1 . . . . A 32 VAL N . 34520 1 317 . 1 . 1 33 33 GLY H H 1 8.96 0.02 . 1 . . . . A 33 GLY H . 34520 1 318 . 1 . 1 33 33 GLY HA2 H 1 3.73 0.02 . 2 . . . . A 33 GLY HA2 . 34520 1 319 . 1 . 1 33 33 GLY HA3 H 1 3.70 0.02 . 2 . . . . A 33 GLY HA3 . 34520 1 320 . 1 . 1 33 33 GLY C C 13 176.3 0.3 . 1 . . . . A 33 GLY C . 34520 1 321 . 1 . 1 33 33 GLY CA C 13 48.6 0.3 . 1 . . . . A 33 GLY CA . 34520 1 322 . 1 . 1 33 33 GLY N N 15 117.6 0.3 . 1 . . . . A 33 GLY N . 34520 1 323 . 1 . 1 34 34 GLY H H 1 8.84 0.02 . 1 . . . . A 34 GLY H . 34520 1 324 . 1 . 1 34 34 GLY HA2 H 1 3.70 0.02 . 2 . . . . A 34 GLY HA2 . 34520 1 325 . 1 . 1 34 34 GLY HA3 H 1 3.67 0.02 . 2 . . . . A 34 GLY HA3 . 34520 1 326 . 1 . 1 34 34 GLY C C 13 176.2 0.3 . 1 . . . . A 34 GLY C . 34520 1 327 . 1 . 1 34 34 GLY CA C 13 47.0 0.3 . 1 . . . . A 34 GLY CA . 34520 1 328 . 1 . 1 34 34 GLY N N 15 109.1 0.3 . 1 . . . . A 34 GLY N . 34520 1 329 . 1 . 1 35 35 TRP H H 1 6.74 0.02 . 1 . . . . A 35 TRP H . 34520 1 330 . 1 . 1 35 35 TRP HA H 1 4.53 0.02 . 1 . . . . A 35 TRP HA . 34520 1 331 . 1 . 1 35 35 TRP HB2 H 1 3.69 0.02 . 2 . . . . A 35 TRP HB2 . 34520 1 332 . 1 . 1 35 35 TRP HB3 H 1 2.55 0.02 . 2 . . . . A 35 TRP HB3 . 34520 1 333 . 1 . 1 35 35 TRP HE1 H 1 10.29 0.02 . 1 . . . . A 35 TRP HE1 . 34520 1 334 . 1 . 1 35 35 TRP C C 13 177.3 0.3 . 1 . . . . A 35 TRP C . 34520 1 335 . 1 . 1 35 35 TRP CA C 13 56.0 0.3 . 1 . . . . A 35 TRP CA . 34520 1 336 . 1 . 1 35 35 TRP CB C 13 28.5 0.3 . 1 . . . . A 35 TRP CB . 34520 1 337 . 1 . 1 35 35 TRP N N 15 121.4 0.3 . 1 . . . . A 35 TRP N . 34520 1 338 . 1 . 1 35 35 TRP NE1 N 15 132.5 0.3 . 1 . . . . A 35 TRP NE1 . 34520 1 339 . 1 . 1 36 36 CYS H H 1 8.67 0.02 . 1 . . . . A 36 CYS H . 34520 1 340 . 1 . 1 36 36 CYS HB2 H 1 3.66 0.02 . 2 . . . . A 36 CYS HB2 . 34520 1 341 . 1 . 1 36 36 CYS HB3 H 1 3.42 0.02 . 2 . . . . A 36 CYS HB3 . 34520 1 342 . 1 . 1 36 36 CYS C C 13 177.8 0.3 . 1 . . . . A 36 CYS C . 34520 1 343 . 1 . 1 36 36 CYS CA C 13 58.5 0.3 . 1 . . . . A 36 CYS CA . 34520 1 344 . 1 . 1 36 36 CYS CB C 13 44.5 0.3 . 1 . . . . A 36 CYS CB . 34520 1 345 . 1 . 1 36 36 CYS N N 15 118.5 0.3 . 1 . . . . A 36 CYS N . 34520 1 346 . 1 . 1 37 37 THR H H 1 8.19 0.02 . 1 . . . . A 37 THR H . 34520 1 347 . 1 . 1 37 37 THR HA H 1 4.66 0.02 . 1 . . . . A 37 THR HA . 34520 1 348 . 1 . 1 37 37 THR HB H 1 4.26 0.02 . 1 . . . . A 37 THR HB . 34520 1 349 . 1 . 1 37 37 THR HG21 H 1 1.14 0.02 . 1 . . . . A 37 THR HG21 . 34520 1 350 . 1 . 1 37 37 THR HG22 H 1 1.14 0.02 . 1 . . . . A 37 THR HG22 . 34520 1 351 . 1 . 1 37 37 THR HG23 H 1 1.14 0.02 . 1 . . . . A 37 THR HG23 . 34520 1 352 . 1 . 1 37 37 THR C C 13 173.6 0.3 . 1 . . . . A 37 THR C . 34520 1 353 . 1 . 1 37 37 THR CA C 13 65.8 0.3 . 1 . . . . A 37 THR CA . 34520 1 354 . 1 . 1 37 37 THR CB C 13 70.1 0.3 . 1 . . . . A 37 THR CB . 34520 1 355 . 1 . 1 37 37 THR CG2 C 13 21.6 0.3 . 1 . . . . A 37 THR CG2 . 34520 1 356 . 1 . 1 37 37 THR N N 15 115.1 0.3 . 1 . . . . A 37 THR N . 34520 1 357 . 1 . 1 38 38 VAL H H 1 7.26 0.02 . 1 . . . . A 38 VAL H . 34520 1 358 . 1 . 1 38 38 VAL HA H 1 3.76 0.02 . 1 . . . . A 38 VAL HA . 34520 1 359 . 1 . 1 38 38 VAL HB H 1 2.53 0.02 . 1 . . . . A 38 VAL HB . 34520 1 360 . 1 . 1 38 38 VAL HG11 H 1 1.31 0.02 . 1 . . . . A 38 VAL HG11 . 34520 1 361 . 1 . 1 38 38 VAL HG12 H 1 1.31 0.02 . 1 . . . . A 38 VAL HG12 . 34520 1 362 . 1 . 1 38 38 VAL HG13 H 1 1.31 0.02 . 1 . . . . A 38 VAL HG13 . 34520 1 363 . 1 . 1 38 38 VAL HG21 H 1 1.19 0.02 . 1 . . . . A 38 VAL HG21 . 34520 1 364 . 1 . 1 38 38 VAL HG22 H 1 1.19 0.02 . 1 . . . . A 38 VAL HG22 . 34520 1 365 . 1 . 1 38 38 VAL HG23 H 1 1.19 0.02 . 1 . . . . A 38 VAL HG23 . 34520 1 366 . 1 . 1 38 38 VAL C C 13 178.6 0.3 . 1 . . . . A 38 VAL C . 34520 1 367 . 1 . 1 38 38 VAL CA C 13 65.7 0.3 . 1 . . . . A 38 VAL CA . 34520 1 368 . 1 . 1 38 38 VAL CB C 13 32.2 0.3 . 1 . . . . A 38 VAL CB . 34520 1 369 . 1 . 1 38 38 VAL CG1 C 13 23.3 0.3 . 1 . . . . A 38 VAL CG1 . 34520 1 370 . 1 . 1 38 38 VAL CG2 C 13 21.1 0.3 . 1 . . . . A 38 VAL CG2 . 34520 1 371 . 1 . 1 38 38 VAL N N 15 121.7 0.3 . 1 . . . . A 38 VAL N . 34520 1 372 . 1 . 1 39 39 GLY H H 1 7.45 0.02 . 1 . . . . A 39 GLY H . 34520 1 373 . 1 . 1 39 39 GLY HA2 H 1 4.17 0.02 . 2 . . . . A 39 GLY HA2 . 34520 1 374 . 1 . 1 39 39 GLY HA3 H 1 3.68 0.02 . 2 . . . . A 39 GLY HA3 . 34520 1 375 . 1 . 1 39 39 GLY C C 13 176.1 0.3 . 1 . . . . A 39 GLY C . 34520 1 376 . 1 . 1 39 39 GLY CA C 13 45.5 0.3 . 1 . . . . A 39 GLY CA . 34520 1 377 . 1 . 1 39 39 GLY N N 15 106.2 0.3 . 1 . . . . A 39 GLY N . 34520 1 378 . 1 . 1 40 40 GLY H H 1 9.89 0.02 . 1 . . . . A 40 GLY H . 34520 1 379 . 1 . 1 40 40 GLY HA3 H 1 3.58 0.02 . 1 . . . . A 40 GLY HA3 . 34520 1 380 . 1 . 1 40 40 GLY CA C 13 45.7 0.3 . 1 . . . . A 40 GLY CA . 34520 1 381 . 1 . 1 40 40 GLY N N 15 116.0 0.3 . 1 . . . . A 40 GLY N . 34520 1 382 . 1 . 1 41 41 PRO HA H 1 4.00 0.02 . 1 . . . . A 41 PRO HA . 34520 1 383 . 1 . 1 41 41 PRO HB2 H 1 1.47 0.02 . 2 . . . . A 41 PRO HB2 . 34520 1 384 . 1 . 1 41 41 PRO HB3 H 1 0.53 0.02 . 2 . . . . A 41 PRO HB3 . 34520 1 385 . 1 . 1 41 41 PRO HG2 H 1 1.72 0.02 . 2 . . . . A 41 PRO HG2 . 34520 1 386 . 1 . 1 41 41 PRO HG3 H 1 1.29 0.02 . 2 . . . . A 41 PRO HG3 . 34520 1 387 . 1 . 1 41 41 PRO HD2 H 1 4.25 0.02 . 2 . . . . A 41 PRO HD2 . 34520 1 388 . 1 . 1 41 41 PRO HD3 H 1 3.62 0.02 . 2 . . . . A 41 PRO HD3 . 34520 1 389 . 1 . 1 41 41 PRO C C 13 175.1 0.3 . 1 . . . . A 41 PRO C . 34520 1 390 . 1 . 1 41 41 PRO CA C 13 64.4 0.3 . 1 . . . . A 41 PRO CA . 34520 1 391 . 1 . 1 41 41 PRO CB C 13 31.5 0.3 . 1 . . . . A 41 PRO CB . 34520 1 392 . 1 . 1 41 41 PRO CG C 13 26.4 0.3 . 1 . . . . A 41 PRO CG . 34520 1 393 . 1 . 1 41 41 PRO CD C 13 51.9 0.3 . 1 . . . . A 41 PRO CD . 34520 1 394 . 1 . 1 42 42 TYR H H 1 7.31 0.02 . 1 . . . . A 42 TYR H . 34520 1 395 . 1 . 1 42 42 TYR HA H 1 3.94 0.02 . 1 . . . . A 42 TYR HA . 34520 1 396 . 1 . 1 42 42 TYR HB2 H 1 3.05 0.02 . 2 . . . . A 42 TYR HB2 . 34520 1 397 . 1 . 1 42 42 TYR HB3 H 1 2.60 0.02 . 2 . . . . A 42 TYR HB3 . 34520 1 398 . 1 . 1 42 42 TYR C C 13 174.1 0.3 . 1 . . . . A 42 TYR C . 34520 1 399 . 1 . 1 42 42 TYR CA C 13 57.5 0.3 . 1 . . . . A 42 TYR CA . 34520 1 400 . 1 . 1 42 42 TYR CB C 13 38.7 0.3 . 1 . . . . A 42 TYR CB . 34520 1 401 . 1 . 1 42 42 TYR N N 15 115.5 0.3 . 1 . . . . A 42 TYR N . 34520 1 402 . 1 . 1 43 43 ALA H H 1 7.39 0.02 . 1 . . . . A 43 ALA H . 34520 1 403 . 1 . 1 43 43 ALA HA H 1 3.86 0.02 . 1 . . . . A 43 ALA HA . 34520 1 404 . 1 . 1 43 43 ALA HB1 H 1 1.14 0.02 . 1 . . . . A 43 ALA HB1 . 34520 1 405 . 1 . 1 43 43 ALA HB2 H 1 1.14 0.02 . 1 . . . . A 43 ALA HB2 . 34520 1 406 . 1 . 1 43 43 ALA HB3 H 1 1.14 0.02 . 1 . . . . A 43 ALA HB3 . 34520 1 407 . 1 . 1 43 43 ALA C C 13 177.0 0.3 . 1 . . . . A 43 ALA C . 34520 1 408 . 1 . 1 43 43 ALA CA C 13 50.9 0.3 . 1 . . . . A 43 ALA CA . 34520 1 409 . 1 . 1 43 43 ALA CB C 13 17.4 0.3 . 1 . . . . A 43 ALA CB . 34520 1 410 . 1 . 1 43 43 ALA N N 15 121.2 0.3 . 1 . . . . A 43 ALA N . 34520 1 411 . 1 . 1 44 44 PRO HA H 1 4.34 0.02 . 1 . . . . A 44 PRO HA . 34520 1 412 . 1 . 1 44 44 PRO HB2 H 1 2.22 0.02 . 2 . . . . A 44 PRO HB2 . 34520 1 413 . 1 . 1 44 44 PRO HB3 H 1 1.83 0.02 . 2 . . . . A 44 PRO HB3 . 34520 1 414 . 1 . 1 44 44 PRO HG2 H 1 1.97 0.02 . 2 . . . . A 44 PRO HG2 . 34520 1 415 . 1 . 1 44 44 PRO HG3 H 1 1.96 0.02 . 2 . . . . A 44 PRO HG3 . 34520 1 416 . 1 . 1 44 44 PRO HD2 H 1 3.56 0.02 . 1 . . . . A 44 PRO HD2 . 34520 1 417 . 1 . 1 44 44 PRO CA C 13 63.2 0.3 . 1 . . . . A 44 PRO CA . 34520 1 418 . 1 . 1 44 44 PRO CB C 13 32.0 0.3 . 1 . . . . A 44 PRO CB . 34520 1 419 . 1 . 1 44 44 PRO CG C 13 27.4 0.3 . 1 . . . . A 44 PRO CG . 34520 1 420 . 1 . 1 44 44 PRO CD C 13 50.5 0.3 . 1 . . . . A 44 PRO CD . 34520 1 421 . 1 . 1 45 45 GLY HA2 H 1 4.26 0.02 . 2 . . . . A 45 GLY HA2 . 34520 1 422 . 1 . 1 45 45 GLY HA3 H 1 3.53 0.02 . 2 . . . . A 45 GLY HA3 . 34520 1 423 . 1 . 1 45 45 GLY CA C 13 45.7 0.3 . 1 . . . . A 45 GLY CA . 34520 1 424 . 1 . 1 46 46 THR H H 1 7.02 0.02 . 1 . . . . A 46 THR H . 34520 1 425 . 1 . 1 46 46 THR HA H 1 4.31 0.02 . 1 . . . . A 46 THR HA . 34520 1 426 . 1 . 1 46 46 THR HB H 1 3.74 0.02 . 1 . . . . A 46 THR HB . 34520 1 427 . 1 . 1 46 46 THR HG21 H 1 0.84 0.02 . 1 . . . . A 46 THR HG21 . 34520 1 428 . 1 . 1 46 46 THR HG22 H 1 0.84 0.02 . 1 . . . . A 46 THR HG22 . 34520 1 429 . 1 . 1 46 46 THR HG23 H 1 0.84 0.02 . 1 . . . . A 46 THR HG23 . 34520 1 430 . 1 . 1 46 46 THR C C 13 175.0 0.3 . 1 . . . . A 46 THR C . 34520 1 431 . 1 . 1 46 46 THR CA C 13 62.5 0.3 . 1 . . . . A 46 THR CA . 34520 1 432 . 1 . 1 46 46 THR CB C 13 70.1 0.3 . 1 . . . . A 46 THR CB . 34520 1 433 . 1 . 1 46 46 THR CG2 C 13 21.0 0.3 . 1 . . . . A 46 THR CG2 . 34520 1 434 . 1 . 1 46 46 THR N N 15 111.3 0.3 . 1 . . . . A 46 THR N . 34520 1 435 . 1 . 1 47 47 GLY H H 1 8.85 0.02 . 1 . . . . A 47 GLY H . 34520 1 436 . 1 . 1 47 47 GLY HA2 H 1 4.18 0.02 . 2 . . . . A 47 GLY HA2 . 34520 1 437 . 1 . 1 47 47 GLY HA3 H 1 3.68 0.02 . 2 . . . . A 47 GLY HA3 . 34520 1 438 . 1 . 1 47 47 GLY C C 13 176.4 0.3 . 1 . . . . A 47 GLY C . 34520 1 439 . 1 . 1 47 47 GLY CA C 13 45.2 0.3 . 1 . . . . A 47 GLY CA . 34520 1 440 . 1 . 1 47 47 GLY N N 15 114.4 0.3 . 1 . . . . A 47 GLY N . 34520 1 441 . 1 . 1 48 48 TRP H H 1 8.09 0.02 . 1 . . . . A 48 TRP H . 34520 1 442 . 1 . 1 48 48 TRP HA H 1 4.40 0.02 . 1 . . . . A 48 TRP HA . 34520 1 443 . 1 . 1 48 48 TRP HB2 H 1 3.49 0.02 . 2 . . . . A 48 TRP HB2 . 34520 1 444 . 1 . 1 48 48 TRP HB3 H 1 3.18 0.02 . 2 . . . . A 48 TRP HB3 . 34520 1 445 . 1 . 1 48 48 TRP HE1 H 1 9.90 0.02 . 1 . . . . A 48 TRP HE1 . 34520 1 446 . 1 . 1 48 48 TRP C C 13 176.7 0.3 . 1 . . . . A 48 TRP C . 34520 1 447 . 1 . 1 48 48 TRP CA C 13 59.3 0.3 . 1 . . . . A 48 TRP CA . 34520 1 448 . 1 . 1 48 48 TRP CB C 13 27.9 0.3 . 1 . . . . A 48 TRP CB . 34520 1 449 . 1 . 1 48 48 TRP N N 15 122.0 0.3 . 1 . . . . A 48 TRP N . 34520 1 450 . 1 . 1 48 48 TRP NE1 N 15 128.2 0.3 . 1 . . . . A 48 TRP NE1 . 34520 1 451 . 1 . 1 49 49 ALA H H 1 7.89 0.02 . 1 . . . . A 49 ALA H . 34520 1 452 . 1 . 1 49 49 ALA HA H 1 4.11 0.02 . 1 . . . . A 49 ALA HA . 34520 1 453 . 1 . 1 49 49 ALA HB1 H 1 -0.24 0.02 . 1 . . . . A 49 ALA HB1 . 34520 1 454 . 1 . 1 49 49 ALA HB2 H 1 -0.24 0.02 . 1 . . . . A 49 ALA HB2 . 34520 1 455 . 1 . 1 49 49 ALA HB3 H 1 -0.24 0.02 . 1 . . . . A 49 ALA HB3 . 34520 1 456 . 1 . 1 49 49 ALA C C 13 179.1 0.3 . 1 . . . . A 49 ALA C . 34520 1 457 . 1 . 1 49 49 ALA CA C 13 50.5 0.3 . 1 . . . . A 49 ALA CA . 34520 1 458 . 1 . 1 49 49 ALA CB C 13 18.1 0.3 . 1 . . . . A 49 ALA CB . 34520 1 459 . 1 . 1 49 49 ALA N N 15 124.4 0.3 . 1 . . . . A 49 ALA N . 34520 1 460 . 1 . 1 50 50 TRP H H 1 7.34 0.02 . 1 . . . . A 50 TRP H . 34520 1 461 . 1 . 1 50 50 TRP HA H 1 4.34 0.02 . 1 . . . . A 50 TRP HA . 34520 1 462 . 1 . 1 50 50 TRP HB2 H 1 3.16 0.02 . 2 . . . . A 50 TRP HB2 . 34520 1 463 . 1 . 1 50 50 TRP HB3 H 1 3.04 0.02 . 2 . . . . A 50 TRP HB3 . 34520 1 464 . 1 . 1 50 50 TRP HE1 H 1 10.16 0.02 . 1 . . . . A 50 TRP HE1 . 34520 1 465 . 1 . 1 50 50 TRP C C 13 178.4 0.3 . 1 . . . . A 50 TRP C . 34520 1 466 . 1 . 1 50 50 TRP CA C 13 61.4 0.3 . 1 . . . . A 50 TRP CA . 34520 1 467 . 1 . 1 50 50 TRP CB C 13 31.1 0.3 . 1 . . . . A 50 TRP CB . 34520 1 468 . 1 . 1 50 50 TRP N N 15 120.0 0.3 . 1 . . . . A 50 TRP N . 34520 1 469 . 1 . 1 50 50 TRP NE1 N 15 130.5 0.3 . 1 . . . . A 50 TRP NE1 . 34520 1 470 . 1 . 1 51 51 ALA H H 1 7.69 0.02 . 1 . . . . A 51 ALA H . 34520 1 471 . 1 . 1 51 51 ALA HA H 1 4.20 0.02 . 1 . . . . A 51 ALA HA . 34520 1 472 . 1 . 1 51 51 ALA HB1 H 1 0.48 0.02 . 1 . . . . A 51 ALA HB1 . 34520 1 473 . 1 . 1 51 51 ALA HB2 H 1 0.48 0.02 . 1 . . . . A 51 ALA HB2 . 34520 1 474 . 1 . 1 51 51 ALA HB3 H 1 0.48 0.02 . 1 . . . . A 51 ALA HB3 . 34520 1 475 . 1 . 1 51 51 ALA C C 13 178.0 0.3 . 1 . . . . A 51 ALA C . 34520 1 476 . 1 . 1 51 51 ALA CA C 13 53.9 0.3 . 1 . . . . A 51 ALA CA . 34520 1 477 . 1 . 1 51 51 ALA CB C 13 16.6 0.3 . 1 . . . . A 51 ALA CB . 34520 1 478 . 1 . 1 51 51 ALA N N 15 124.8 0.3 . 1 . . . . A 51 ALA N . 34520 1 479 . 1 . 1 52 52 ASN H H 1 7.85 0.02 . 1 . . . . A 52 ASN H . 34520 1 480 . 1 . 1 52 52 ASN HA H 1 4.56 0.02 . 1 . . . . A 52 ASN HA . 34520 1 481 . 1 . 1 52 52 ASN HB2 H 1 2.94 0.02 . 2 . . . . A 52 ASN HB2 . 34520 1 482 . 1 . 1 52 52 ASN HB3 H 1 2.84 0.02 . 2 . . . . A 52 ASN HB3 . 34520 1 483 . 1 . 1 52 52 ASN HD21 H 1 6.98 0.02 . 1 . . . . A 52 ASN HD21 . 34520 1 484 . 1 . 1 52 52 ASN C C 13 174.7 0.3 . 1 . . . . A 52 ASN C . 34520 1 485 . 1 . 1 52 52 ASN CA C 13 54.5 0.3 . 1 . . . . A 52 ASN CA . 34520 1 486 . 1 . 1 52 52 ASN CB C 13 38.9 0.3 . 1 . . . . A 52 ASN CB . 34520 1 487 . 1 . 1 52 52 ASN N N 15 114.6 0.3 . 1 . . . . A 52 ASN N . 34520 1 488 . 1 . 1 52 52 ASN ND2 N 15 112.1 0.3 . 1 . . . . A 52 ASN ND2 . 34520 1 489 . 1 . 1 53 53 ALA H H 1 8.13 0.02 . 1 . . . . A 53 ALA H . 34520 1 490 . 1 . 1 53 53 ALA HA H 1 4.71 0.02 . 1 . . . . A 53 ALA HA . 34520 1 491 . 1 . 1 53 53 ALA HB1 H 1 1.45 0.02 . 1 . . . . A 53 ALA HB1 . 34520 1 492 . 1 . 1 53 53 ALA HB2 H 1 1.45 0.02 . 1 . . . . A 53 ALA HB2 . 34520 1 493 . 1 . 1 53 53 ALA HB3 H 1 1.45 0.02 . 1 . . . . A 53 ALA HB3 . 34520 1 494 . 1 . 1 53 53 ALA C C 13 174.8 0.3 . 1 . . . . A 53 ALA C . 34520 1 495 . 1 . 1 53 53 ALA CA C 13 52.7 0.3 . 1 . . . . A 53 ALA CA . 34520 1 496 . 1 . 1 53 53 ALA CB C 13 24.0 0.3 . 1 . . . . A 53 ALA CB . 34520 1 497 . 1 . 1 53 53 ALA N N 15 119.2 0.3 . 1 . . . . A 53 ALA N . 34520 1 498 . 1 . 1 54 54 TRP H H 1 8.85 0.02 . 1 . . . . A 54 TRP H . 34520 1 499 . 1 . 1 54 54 TRP HA H 1 5.52 0.02 . 1 . . . . A 54 TRP HA . 34520 1 500 . 1 . 1 54 54 TRP HB2 H 1 3.27 0.02 . 1 . . . . A 54 TRP HB2 . 34520 1 501 . 1 . 1 54 54 TRP HE1 H 1 10.15 0.02 . 1 . . . . A 54 TRP HE1 . 34520 1 502 . 1 . 1 54 54 TRP C C 13 174.4 0.3 . 1 . . . . A 54 TRP C . 34520 1 503 . 1 . 1 54 54 TRP CA C 13 55.5 0.3 . 1 . . . . A 54 TRP CA . 34520 1 504 . 1 . 1 54 54 TRP CB C 13 34.1 0.3 . 1 . . . . A 54 TRP CB . 34520 1 505 . 1 . 1 54 54 TRP N N 15 118.1 0.3 . 1 . . . . A 54 TRP N . 34520 1 506 . 1 . 1 54 54 TRP NE1 N 15 132.4 0.3 . 1 . . . . A 54 TRP NE1 . 34520 1 507 . 1 . 1 55 55 GLU H H 1 9.48 0.02 . 1 . . . . A 55 GLU H . 34520 1 508 . 1 . 1 55 55 GLU HA H 1 5.10 0.02 . 1 . . . . A 55 GLU HA . 34520 1 509 . 1 . 1 55 55 GLU HB2 H 1 2.12 0.02 . 1 . . . . A 55 GLU HB2 . 34520 1 510 . 1 . 1 55 55 GLU HG2 H 1 2.28 0.02 . 1 . . . . A 55 GLU HG2 . 34520 1 511 . 1 . 1 55 55 GLU C C 13 176.0 0.3 . 1 . . . . A 55 GLU C . 34520 1 512 . 1 . 1 55 55 GLU CA C 13 53.8 0.3 . 1 . . . . A 55 GLU CA . 34520 1 513 . 1 . 1 55 55 GLU CB C 13 33.6 0.3 . 1 . . . . A 55 GLU CB . 34520 1 514 . 1 . 1 55 55 GLU CG C 13 36.1 0.3 . 1 . . . . A 55 GLU CG . 34520 1 515 . 1 . 1 55 55 GLU N N 15 119.3 0.3 . 1 . . . . A 55 GLU N . 34520 1 516 . 1 . 1 56 56 LEU H H 1 9.36 0.02 . 1 . . . . A 56 LEU H . 34520 1 517 . 1 . 1 56 56 LEU HA H 1 3.95 0.02 . 1 . . . . A 56 LEU HA . 34520 1 518 . 1 . 1 56 56 LEU HB2 H 1 1.93 0.02 . 2 . . . . A 56 LEU HB2 . 34520 1 519 . 1 . 1 56 56 LEU HB3 H 1 1.51 0.02 . 2 . . . . A 56 LEU HB3 . 34520 1 520 . 1 . 1 56 56 LEU HG H 1 1.00 0.02 . 1 . . . . A 56 LEU HG . 34520 1 521 . 1 . 1 56 56 LEU HD11 H 1 0.73 0.02 . 1 . . . . A 56 LEU HD11 . 34520 1 522 . 1 . 1 56 56 LEU HD12 H 1 0.73 0.02 . 1 . . . . A 56 LEU HD12 . 34520 1 523 . 1 . 1 56 56 LEU HD13 H 1 0.73 0.02 . 1 . . . . A 56 LEU HD13 . 34520 1 524 . 1 . 1 56 56 LEU HD21 H 1 0.35 0.02 . 1 . . . . A 56 LEU HD21 . 34520 1 525 . 1 . 1 56 56 LEU HD22 H 1 0.35 0.02 . 1 . . . . A 56 LEU HD22 . 34520 1 526 . 1 . 1 56 56 LEU HD23 H 1 0.35 0.02 . 1 . . . . A 56 LEU HD23 . 34520 1 527 . 1 . 1 56 56 LEU C C 13 176.0 0.3 . 1 . . . . A 56 LEU C . 34520 1 528 . 1 . 1 56 56 LEU CA C 13 56.1 0.3 . 1 . . . . A 56 LEU CA . 34520 1 529 . 1 . 1 56 56 LEU CB C 13 41.9 0.3 . 1 . . . . A 56 LEU CB . 34520 1 530 . 1 . 1 56 56 LEU CG C 13 27.6 0.3 . 1 . . . . A 56 LEU CG . 34520 1 531 . 1 . 1 56 56 LEU CD1 C 13 25.5 0.3 . 1 . . . . A 56 LEU CD1 . 34520 1 532 . 1 . 1 56 56 LEU CD2 C 13 23.6 0.3 . 1 . . . . A 56 LEU CD2 . 34520 1 533 . 1 . 1 56 56 LEU N N 15 129.2 0.3 . 1 . . . . A 56 LEU N . 34520 1 534 . 1 . 1 57 57 VAL H H 1 9.30 0.02 . 1 . . . . A 57 VAL H . 34520 1 535 . 1 . 1 57 57 VAL HA H 1 3.91 0.02 . 1 . . . . A 57 VAL HA . 34520 1 536 . 1 . 1 57 57 VAL HB H 1 1.69 0.02 . 1 . . . . A 57 VAL HB . 34520 1 537 . 1 . 1 57 57 VAL HG11 H 1 0.88 0.02 . 1 . . . . A 57 VAL HG11 . 34520 1 538 . 1 . 1 57 57 VAL HG12 H 1 0.88 0.02 . 1 . . . . A 57 VAL HG12 . 34520 1 539 . 1 . 1 57 57 VAL HG13 H 1 0.88 0.02 . 1 . . . . A 57 VAL HG13 . 34520 1 540 . 1 . 1 57 57 VAL HG21 H 1 0.83 0.02 . 1 . . . . A 57 VAL HG21 . 34520 1 541 . 1 . 1 57 57 VAL HG22 H 1 0.83 0.02 . 1 . . . . A 57 VAL HG22 . 34520 1 542 . 1 . 1 57 57 VAL HG23 H 1 0.83 0.02 . 1 . . . . A 57 VAL HG23 . 34520 1 543 . 1 . 1 57 57 VAL C C 13 176.3 0.3 . 1 . . . . A 57 VAL C . 34520 1 544 . 1 . 1 57 57 VAL CA C 13 64.8 0.3 . 1 . . . . A 57 VAL CA . 34520 1 545 . 1 . 1 57 57 VAL CB C 13 33.1 0.3 . 1 . . . . A 57 VAL CB . 34520 1 546 . 1 . 1 57 57 VAL CG1 C 13 23.7 0.3 . 1 . . . . A 57 VAL CG1 . 34520 1 547 . 1 . 1 57 57 VAL CG2 C 13 21.2 0.3 . 1 . . . . A 57 VAL CG2 . 34520 1 548 . 1 . 1 57 57 VAL N N 15 130.1 0.3 . 1 . . . . A 57 VAL N . 34520 1 549 . 1 . 1 58 58 ARG H H 1 7.18 0.02 . 1 . . . . A 58 ARG H . 34520 1 550 . 1 . 1 58 58 ARG HA H 1 4.56 0.02 . 1 . . . . A 58 ARG HA . 34520 1 551 . 1 . 1 58 58 ARG HB2 H 1 2.14 0.02 . 2 . . . . A 58 ARG HB2 . 34520 1 552 . 1 . 1 58 58 ARG HB3 H 1 1.72 0.02 . 2 . . . . A 58 ARG HB3 . 34520 1 553 . 1 . 1 58 58 ARG HG2 H 1 1.08 0.02 . 1 . . . . A 58 ARG HG2 . 34520 1 554 . 1 . 1 58 58 ARG HD2 H 1 3.04 0.02 . 2 . . . . A 58 ARG HD2 . 34520 1 555 . 1 . 1 58 58 ARG HD3 H 1 2.84 0.02 . 2 . . . . A 58 ARG HD3 . 34520 1 556 . 1 . 1 58 58 ARG C C 13 173.9 0.3 . 1 . . . . A 58 ARG C . 34520 1 557 . 1 . 1 58 58 ARG CA C 13 54.7 0.3 . 1 . . . . A 58 ARG CA . 34520 1 558 . 1 . 1 58 58 ARG CB C 13 31.0 0.3 . 1 . . . . A 58 ARG CB . 34520 1 559 . 1 . 1 58 58 ARG N N 15 110.9 0.3 . 1 . . . . A 58 ARG N . 34520 1 560 . 1 . 1 59 59 SER H H 1 8.48 0.02 . 1 . . . . A 59 SER H . 34520 1 561 . 1 . 1 59 59 SER HA H 1 4.71 0.02 . 1 . . . . A 59 SER HA . 34520 1 562 . 1 . 1 59 59 SER HB2 H 1 3.88 0.02 . 2 . . . . A 59 SER HB2 . 34520 1 563 . 1 . 1 59 59 SER HB3 H 1 3.72 0.02 . 2 . . . . A 59 SER HB3 . 34520 1 564 . 1 . 1 59 59 SER C C 13 175.4 0.3 . 1 . . . . A 59 SER C . 34520 1 565 . 1 . 1 59 59 SER CA C 13 57.7 0.3 . 1 . . . . A 59 SER CA . 34520 1 566 . 1 . 1 59 59 SER CB C 13 63.9 0.3 . 1 . . . . A 59 SER CB . 34520 1 567 . 1 . 1 59 59 SER N N 15 114.6 0.3 . 1 . . . . A 59 SER N . 34520 1 568 . 1 . 1 60 60 CYS H H 1 8.71 0.02 . 1 . . . . A 60 CYS H . 34520 1 569 . 1 . 1 60 60 CYS HA H 1 4.73 0.02 . 1 . . . . A 60 CYS HA . 34520 1 570 . 1 . 1 60 60 CYS HB2 H 1 3.14 0.02 . 2 . . . . A 60 CYS HB2 . 34520 1 571 . 1 . 1 60 60 CYS HB3 H 1 2.43 0.02 . 2 . . . . A 60 CYS HB3 . 34520 1 572 . 1 . 1 60 60 CYS C C 13 174.6 0.3 . 1 . . . . A 60 CYS C . 34520 1 573 . 1 . 1 60 60 CYS CA C 13 54.5 0.3 . 1 . . . . A 60 CYS CA . 34520 1 574 . 1 . 1 60 60 CYS CB C 13 41.4 0.3 . 1 . . . . A 60 CYS CB . 34520 1 575 . 1 . 1 60 60 CYS N N 15 123.2 0.3 . 1 . . . . A 60 CYS N . 34520 1 576 . 1 . 1 61 61 GLN H H 1 8.18 0.02 . 1 . . . . A 61 GLN H . 34520 1 577 . 1 . 1 61 61 GLN HA H 1 4.33 0.02 . 1 . . . . A 61 GLN HA . 34520 1 578 . 1 . 1 61 61 GLN HB2 H 1 1.95 0.02 . 2 . . . . A 61 GLN HB2 . 34520 1 579 . 1 . 1 61 61 GLN HB3 H 1 1.84 0.02 . 2 . . . . A 61 GLN HB3 . 34520 1 580 . 1 . 1 61 61 GLN HG2 H 1 2.05 0.02 . 1 . . . . A 61 GLN HG2 . 34520 1 581 . 1 . 1 61 61 GLN HE21 H 1 6.13 0.02 . 1 . . . . A 61 GLN HE21 . 34520 1 582 . 1 . 1 61 61 GLN HE22 H 1 8.28 0.02 . 1 . . . . A 61 GLN HE22 . 34520 1 583 . 1 . 1 61 61 GLN C C 13 175.2 0.3 . 1 . . . . A 61 GLN C . 34520 1 584 . 1 . 1 61 61 GLN CA C 13 55.6 0.3 . 1 . . . . A 61 GLN CA . 34520 1 585 . 1 . 1 61 61 GLN CB C 13 29.6 0.3 . 1 . . . . A 61 GLN CB . 34520 1 586 . 1 . 1 61 61 GLN CG C 13 30.4 0.3 . 1 . . . . A 61 GLN CG . 34520 1 587 . 1 . 1 61 61 GLN N N 15 121.4 0.3 . 1 . . . . A 61 GLN N . 34520 1 588 . 1 . 1 61 61 GLN NE2 N 15 114.2 0.3 . 1 . . . . A 61 GLN NE2 . 34520 1 589 . 1 . 1 62 62 ALA H H 1 8.37 0.02 . 1 . . . . A 62 ALA H . 34520 1 590 . 1 . 1 62 62 ALA HA H 1 4.17 0.02 . 1 . . . . A 62 ALA HA . 34520 1 591 . 1 . 1 62 62 ALA HB1 H 1 1.21 0.02 . 1 . . . . A 62 ALA HB1 . 34520 1 592 . 1 . 1 62 62 ALA HB2 H 1 1.21 0.02 . 1 . . . . A 62 ALA HB2 . 34520 1 593 . 1 . 1 62 62 ALA HB3 H 1 1.21 0.02 . 1 . . . . A 62 ALA HB3 . 34520 1 594 . 1 . 1 62 62 ALA C C 13 178.0 0.3 . 1 . . . . A 62 ALA C . 34520 1 595 . 1 . 1 62 62 ALA CA C 13 52.4 0.3 . 1 . . . . A 62 ALA CA . 34520 1 596 . 1 . 1 62 62 ALA CB C 13 19.3 0.3 . 1 . . . . A 62 ALA CB . 34520 1 597 . 1 . 1 62 62 ALA N N 15 126.4 0.3 . 1 . . . . A 62 ALA N . 34520 1 598 . 1 . 1 63 63 HIS H H 1 8.39 0.02 . 1 . . . . A 63 HIS H . 34520 1 599 . 1 . 1 63 63 HIS CA C 13 55.4 0.3 . 1 . . . . A 63 HIS CA . 34520 1 600 . 1 . 1 63 63 HIS N N 15 118.9 0.3 . 1 . . . . A 63 HIS N . 34520 1 stop_ save_