data_34519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34519 _Entry.Title ; NMR solution structure of the carbohydrate-binding module family 5 (CBM5) 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 2020-07-14 _Entry.Original_release_date 2020-07-14 _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. . . . 34519 2 F. Aachmann F. L. . . 34519 3 G. Courtade G. . . . 34519 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SUGAR BINDING PROTEIN' . 34519 cbm . 34519 chitin . 34519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 34519 '15N chemical shifts' 70 34519 '1H chemical shifts' 349 34519 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' 34519 1 . . 2021-04-26 2021-03-01 original author 'original release' 34519 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Z40 'BMRB Entry Tracking System' 34519 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34519 _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. . . . 34519 1 2 Z. Forsberg Z. . . . 34519 1 3 Y. Wang Y. . . . 34519 1 4 K. Lindorff-Larsen K. . . . 34519 1 5 A. Niebisch A. . . . 34519 1 6 J. Modregger J. . . . 34519 1 7 V. Eijsink V. G.H. . . 34519 1 8 F. Aachmann F. L. . . 34519 1 9 G. Courtade G. . . . 34519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34519 _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 . . . . . . 34519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34519 _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 ; MDTCATLPSWDASTVYTNPQ QVKHNSKRYQANYWTQNQNP STNSGQYGPWLDLGNCVTSG AHHHHHH ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7630.195 _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 . 34519 1 2 . ASP . 34519 1 3 . THR . 34519 1 4 . CYS . 34519 1 5 . ALA . 34519 1 6 . THR . 34519 1 7 . LEU . 34519 1 8 . PRO . 34519 1 9 . SER . 34519 1 10 . TRP . 34519 1 11 . ASP . 34519 1 12 . ALA . 34519 1 13 . SER . 34519 1 14 . THR . 34519 1 15 . VAL . 34519 1 16 . TYR . 34519 1 17 . THR . 34519 1 18 . ASN . 34519 1 19 . PRO . 34519 1 20 . GLN . 34519 1 21 . GLN . 34519 1 22 . VAL . 34519 1 23 . LYS . 34519 1 24 . HIS . 34519 1 25 . ASN . 34519 1 26 . SER . 34519 1 27 . LYS . 34519 1 28 . ARG . 34519 1 29 . TYR . 34519 1 30 . GLN . 34519 1 31 . ALA . 34519 1 32 . ASN . 34519 1 33 . TYR . 34519 1 34 . TRP . 34519 1 35 . THR . 34519 1 36 . GLN . 34519 1 37 . ASN . 34519 1 38 . GLN . 34519 1 39 . ASN . 34519 1 40 . PRO . 34519 1 41 . SER . 34519 1 42 . THR . 34519 1 43 . ASN . 34519 1 44 . SER . 34519 1 45 . GLY . 34519 1 46 . GLN . 34519 1 47 . TYR . 34519 1 48 . GLY . 34519 1 49 . PRO . 34519 1 50 . TRP . 34519 1 51 . LEU . 34519 1 52 . ASP . 34519 1 53 . LEU . 34519 1 54 . GLY . 34519 1 55 . ASN . 34519 1 56 . CYS . 34519 1 57 . VAL . 34519 1 58 . THR . 34519 1 59 . SER . 34519 1 60 . GLY . 34519 1 61 . ALA . 34519 1 62 . HIS . 34519 1 63 . HIS . 34519 1 64 . HIS . 34519 1 65 . HIS . 34519 1 66 . HIS . 34519 1 67 . HIS . 34519 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 34519 1 . ASP 2 2 34519 1 . THR 3 3 34519 1 . CYS 4 4 34519 1 . ALA 5 5 34519 1 . THR 6 6 34519 1 . LEU 7 7 34519 1 . PRO 8 8 34519 1 . SER 9 9 34519 1 . TRP 10 10 34519 1 . ASP 11 11 34519 1 . ALA 12 12 34519 1 . SER 13 13 34519 1 . THR 14 14 34519 1 . VAL 15 15 34519 1 . TYR 16 16 34519 1 . THR 17 17 34519 1 . ASN 18 18 34519 1 . PRO 19 19 34519 1 . GLN 20 20 34519 1 . GLN 21 21 34519 1 . VAL 22 22 34519 1 . LYS 23 23 34519 1 . HIS 24 24 34519 1 . ASN 25 25 34519 1 . SER 26 26 34519 1 . LYS 27 27 34519 1 . ARG 28 28 34519 1 . TYR 29 29 34519 1 . GLN 30 30 34519 1 . ALA 31 31 34519 1 . ASN 32 32 34519 1 . TYR 33 33 34519 1 . TRP 34 34 34519 1 . THR 35 35 34519 1 . GLN 36 36 34519 1 . ASN 37 37 34519 1 . GLN 38 38 34519 1 . ASN 39 39 34519 1 . PRO 40 40 34519 1 . SER 41 41 34519 1 . THR 42 42 34519 1 . ASN 43 43 34519 1 . SER 44 44 34519 1 . GLY 45 45 34519 1 . GLN 46 46 34519 1 . TYR 47 47 34519 1 . GLY 48 48 34519 1 . PRO 49 49 34519 1 . TRP 50 50 34519 1 . LEU 51 51 34519 1 . ASP 52 52 34519 1 . LEU 53 53 34519 1 . GLY 54 54 34519 1 . ASN 55 55 34519 1 . CYS 56 56 34519 1 . VAL 57 57 34519 1 . THR 58 58 34519 1 . SER 59 59 34519 1 . GLY 60 60 34519 1 . ALA 61 61 34519 1 . HIS 62 62 34519 1 . HIS 63 63 34519 1 . HIS 64 64 34519 1 . HIS 65 65 34519 1 . HIS 66 66 34519 1 . HIS 67 67 34519 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 34519 _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' . 34519 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 34519 _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 . . . 34519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34519 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-15N] CBM5, 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 CBM5 [U-15N] . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34519 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34519 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34519 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34519 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-13C; U-15N] CBM5, 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 CBM5 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34519 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34519 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34519 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34519 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM CBM5, 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 CBM5 'natural abundance' . . 1 $entity_1 . . 0.1 . . mM 0.05 . . . 34519 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34519 3 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34519 3 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 34519 _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 34519 1 pH 5.5 . pH 34519 1 pressure 1 . atm 34519 1 temperature 298 . K 34519 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34519 _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' . . 34519 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34519 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34519 _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' . . 34519 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34519 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34519 _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' . . 34519 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34519 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34519 _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 . . 34519 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34519 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 34519 _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 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 34519 _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' . 800 . . . 34519 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 34519 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 2 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 4 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 1 13 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34519 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 34519 _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 0.251449530 . . . . . 34519 1 H 1 water protons . . . . ppm 0.000 internal direct 1.0 . . . . . 34519 1 N 15 water protons . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34519 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 34519 _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-15N HSQC' . . . 34519 1 2 '3D HNCA' . . . 34519 1 3 '3D HN(CO)CA' . . . 34519 1 4 '3D HNCO' . . . 34519 1 5 '3D CBCA(CO)NH' . . . 34519 1 6 '2D 1H-13C HSQC aliphatic' . . . 34519 1 7 '2D 1H-13C HSQC aromatic' . . . 34519 1 8 '3D HCCH-TOCSY' . . . 34519 1 9 '3D 1H-13C NOESY aliphatic' . . . 34519 1 10 '3D 1H-13C NOESY aromatic' . . . 34519 1 11 '3D 1H-15N NOESY' . . . 34519 1 12 '2D 1H-1H NOESY' . . . 34519 1 13 '3D HN(CA)CO' . . . 34519 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 1 1 MET HE1 H 1 1.94 0.02 . 1 . . . . A 1 MET HE1 . 34519 1 2 . 1 . 1 1 1 MET HE2 H 1 1.94 0.02 . 1 . . . . A 1 MET HE2 . 34519 1 3 . 1 . 1 1 1 MET HE3 H 1 1.94 0.02 . 1 . . . . A 1 MET HE3 . 34519 1 4 . 1 . 1 1 1 MET CE C 13 14.2 0.3 . 1 . . . . A 1 MET CE . 34519 1 5 . 1 . 1 2 2 ASP HA H 1 4.91 0.02 . 1 . . . . A 2 ASP HA . 34519 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.85 0.02 . 2 . . . . A 2 ASP HB2 . 34519 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.46 0.02 . 2 . . . . A 2 ASP HB3 . 34519 1 8 . 1 . 1 2 2 ASP CA C 13 53.3 0.3 . 1 . . . . A 2 ASP CA . 34519 1 9 . 1 . 1 2 2 ASP CB C 13 40.5 0.3 . 1 . . . . A 2 ASP CB . 34519 1 10 . 1 . 1 3 3 THR H H 1 8.80 0.02 . 1 . . . . A 3 THR H . 34519 1 11 . 1 . 1 3 3 THR HA H 1 4.21 0.02 . 1 . . . . A 3 THR HA . 34519 1 12 . 1 . 1 3 3 THR HB H 1 4.18 0.02 . 1 . . . . A 3 THR HB . 34519 1 13 . 1 . 1 3 3 THR HG21 H 1 1.23 0.02 . 1 . . . . A 3 THR HG21 . 34519 1 14 . 1 . 1 3 3 THR HG22 H 1 1.23 0.02 . 1 . . . . A 3 THR HG22 . 34519 1 15 . 1 . 1 3 3 THR HG23 H 1 1.23 0.02 . 1 . . . . A 3 THR HG23 . 34519 1 16 . 1 . 1 3 3 THR C C 13 176.0 0.3 . 1 . . . . A 3 THR C . 34519 1 17 . 1 . 1 3 3 THR CA C 13 63.9 0.3 . 1 . . . . A 3 THR CA . 34519 1 18 . 1 . 1 3 3 THR CB C 13 69.3 0.3 . 1 . . . . A 3 THR CB . 34519 1 19 . 1 . 1 3 3 THR CG2 C 13 19.7 0.3 . 1 . . . . A 3 THR CG2 . 34519 1 20 . 1 . 1 3 3 THR N N 15 118.3 0.3 . 1 . . . . A 3 THR N . 34519 1 21 . 1 . 1 4 4 CYS H H 1 8.77 0.02 . 1 . . . . A 4 CYS H . 34519 1 22 . 1 . 1 4 4 CYS HA H 1 4.18 0.02 . 1 . . . . A 4 CYS HA . 34519 1 23 . 1 . 1 4 4 CYS HB2 H 1 2.97 0.02 . 2 . . . . A 4 CYS HB2 . 34519 1 24 . 1 . 1 4 4 CYS HB3 H 1 2.42 0.02 . 2 . . . . A 4 CYS HB3 . 34519 1 25 . 1 . 1 4 4 CYS C C 13 175.6 0.3 . 1 . . . . A 4 CYS C . 34519 1 26 . 1 . 1 4 4 CYS CA C 13 54.3 0.3 . 1 . . . . A 4 CYS CA . 34519 1 27 . 1 . 1 4 4 CYS CB C 13 41.0 0.3 . 1 . . . . A 4 CYS CB . 34519 1 28 . 1 . 1 4 4 CYS N N 15 118.0 0.3 . 1 . . . . A 4 CYS N . 34519 1 29 . 1 . 1 5 5 ALA H H 1 7.04 0.02 . 1 . . . . A 5 ALA H . 34519 1 30 . 1 . 1 5 5 ALA HA H 1 3.92 0.02 . 1 . . . . A 5 ALA HA . 34519 1 31 . 1 . 1 5 5 ALA HB1 H 1 1.43 0.02 . 1 . . . . A 5 ALA HB1 . 34519 1 32 . 1 . 1 5 5 ALA HB2 H 1 1.43 0.02 . 1 . . . . A 5 ALA HB2 . 34519 1 33 . 1 . 1 5 5 ALA HB3 H 1 1.43 0.02 . 1 . . . . A 5 ALA HB3 . 34519 1 34 . 1 . 1 5 5 ALA C C 13 179.3 0.3 . 1 . . . . A 5 ALA C . 34519 1 35 . 1 . 1 5 5 ALA CA C 13 56.3 0.3 . 1 . . . . A 5 ALA CA . 34519 1 36 . 1 . 1 5 5 ALA CB C 13 19.3 0.3 . 1 . . . . A 5 ALA CB . 34519 1 37 . 1 . 1 5 5 ALA N N 15 123.6 0.3 . 1 . . . . A 5 ALA N . 34519 1 38 . 1 . 1 6 6 THR H H 1 8.16 0.02 . 1 . . . . A 6 THR H . 34519 1 39 . 1 . 1 6 6 THR HA H 1 4.40 0.02 . 1 . . . . A 6 THR HA . 34519 1 40 . 1 . 1 6 6 THR HB H 1 4.49 0.02 . 1 . . . . A 6 THR HB . 34519 1 41 . 1 . 1 6 6 THR HG21 H 1 1.05 0.02 . 1 . . . . A 6 THR HG21 . 34519 1 42 . 1 . 1 6 6 THR HG22 H 1 1.05 0.02 . 1 . . . . A 6 THR HG22 . 34519 1 43 . 1 . 1 6 6 THR HG23 H 1 1.05 0.02 . 1 . . . . A 6 THR HG23 . 34519 1 44 . 1 . 1 6 6 THR C C 13 175.1 0.3 . 1 . . . . A 6 THR C . 34519 1 45 . 1 . 1 6 6 THR CA C 13 61.3 0.3 . 1 . . . . A 6 THR CA . 34519 1 46 . 1 . 1 6 6 THR CB C 13 69.0 0.3 . 1 . . . . A 6 THR CB . 34519 1 47 . 1 . 1 6 6 THR CG2 C 13 18.7 0.3 . 1 . . . . A 6 THR CG2 . 34519 1 48 . 1 . 1 6 6 THR N N 15 105.4 0.3 . 1 . . . . A 6 THR N . 34519 1 49 . 1 . 1 7 7 LEU H H 1 7.35 0.02 . 1 . . . . A 7 LEU H . 34519 1 50 . 1 . 1 7 7 LEU HA H 1 4.65 0.02 . 1 . . . . A 7 LEU HA . 34519 1 51 . 1 . 1 7 7 LEU HB2 H 1 1.58 0.02 . 2 . . . . A 7 LEU HB2 . 34519 1 52 . 1 . 1 7 7 LEU HB3 H 1 1.34 0.02 . 2 . . . . A 7 LEU HB3 . 34519 1 53 . 1 . 1 7 7 LEU HG H 1 1.04 0.02 . 1 . . . . A 7 LEU HG . 34519 1 54 . 1 . 1 7 7 LEU HD11 H 1 0.80 0.02 . 1 . . . . A 7 LEU HD11 . 34519 1 55 . 1 . 1 7 7 LEU HD12 H 1 0.80 0.02 . 1 . . . . A 7 LEU HD12 . 34519 1 56 . 1 . 1 7 7 LEU HD13 H 1 0.80 0.02 . 1 . . . . A 7 LEU HD13 . 34519 1 57 . 1 . 1 7 7 LEU HD21 H 1 0.75 0.02 . 1 . . . . A 7 LEU HD21 . 34519 1 58 . 1 . 1 7 7 LEU HD22 H 1 0.75 0.02 . 1 . . . . A 7 LEU HD22 . 34519 1 59 . 1 . 1 7 7 LEU HD23 H 1 0.75 0.02 . 1 . . . . A 7 LEU HD23 . 34519 1 60 . 1 . 1 7 7 LEU C C 13 176.3 0.3 . 1 . . . . A 7 LEU C . 34519 1 61 . 1 . 1 7 7 LEU CA C 13 52.7 0.3 . 1 . . . . A 7 LEU CA . 34519 1 62 . 1 . 1 7 7 LEU CB C 13 42.2 0.3 . 1 . . . . A 7 LEU CB . 34519 1 63 . 1 . 1 7 7 LEU CD1 C 13 19.6 0.3 . 1 . . . . A 7 LEU CD1 . 34519 1 64 . 1 . 1 7 7 LEU CD2 C 13 24.6 0.3 . 1 . . . . A 7 LEU CD2 . 34519 1 65 . 1 . 1 7 7 LEU N N 15 121.9 0.3 . 1 . . . . A 7 LEU N . 34519 1 66 . 1 . 1 8 8 PRO HA H 1 4.67 0.02 . 1 . . . . A 8 PRO HA . 34519 1 67 . 1 . 1 8 8 PRO HB2 H 1 2.29 0.02 . 2 . . . . A 8 PRO HB2 . 34519 1 68 . 1 . 1 8 8 PRO HB3 H 1 2.08 0.02 . 2 . . . . A 8 PRO HB3 . 34519 1 69 . 1 . 1 8 8 PRO HG2 H 1 2.29 0.02 . 2 . . . . A 8 PRO HG2 . 34519 1 70 . 1 . 1 8 8 PRO HG3 H 1 2.25 0.02 . 2 . . . . A 8 PRO HG3 . 34519 1 71 . 1 . 1 8 8 PRO HD2 H 1 4.01 0.02 . 2 . . . . A 8 PRO HD2 . 34519 1 72 . 1 . 1 8 8 PRO HD3 H 1 3.87 0.02 . 2 . . . . A 8 PRO HD3 . 34519 1 73 . 1 . 1 8 8 PRO CA C 13 62.5 0.3 . 1 . . . . A 8 PRO CA . 34519 1 74 . 1 . 1 8 8 PRO CB C 13 32.2 0.3 . 1 . . . . A 8 PRO CB . 34519 1 75 . 1 . 1 8 8 PRO CG C 13 24.0 0.3 . 1 . . . . A 8 PRO CG . 34519 1 76 . 1 . 1 8 8 PRO CD C 13 47.3 0.3 . 1 . . . . A 8 PRO CD . 34519 1 77 . 1 . 1 9 9 SER H H 1 8.54 0.02 . 1 . . . . A 9 SER H . 34519 1 78 . 1 . 1 9 9 SER HA H 1 5.17 0.02 . 1 . . . . A 9 SER HA . 34519 1 79 . 1 . 1 9 9 SER HB2 H 1 3.81 0.02 . 2 . . . . A 9 SER HB2 . 34519 1 80 . 1 . 1 9 9 SER HB3 H 1 3.77 0.02 . 2 . . . . A 9 SER HB3 . 34519 1 81 . 1 . 1 9 9 SER C C 13 175.8 0.3 . 1 . . . . A 9 SER C . 34519 1 82 . 1 . 1 9 9 SER CA C 13 58.6 0.3 . 1 . . . . A 9 SER CA . 34519 1 83 . 1 . 1 9 9 SER CB C 13 64.1 0.3 . 1 . . . . A 9 SER CB . 34519 1 84 . 1 . 1 9 9 SER N N 15 115.9 0.3 . 1 . . . . A 9 SER N . 34519 1 85 . 1 . 1 10 10 TRP H H 1 8.59 0.02 . 1 . . . . A 10 TRP H . 34519 1 86 . 1 . 1 10 10 TRP HA H 1 3.93 0.02 . 1 . . . . A 10 TRP HA . 34519 1 87 . 1 . 1 10 10 TRP HB2 H 1 3.04 0.02 . 2 . . . . A 10 TRP HB2 . 34519 1 88 . 1 . 1 10 10 TRP HB3 H 1 2.26 0.02 . 2 . . . . A 10 TRP HB3 . 34519 1 89 . 1 . 1 10 10 TRP HE1 H 1 9.57 0.02 . 1 . . . . A 10 TRP HE1 . 34519 1 90 . 1 . 1 10 10 TRP C C 13 175.4 0.3 . 1 . . . . A 10 TRP C . 34519 1 91 . 1 . 1 10 10 TRP CA C 13 60.9 0.3 . 1 . . . . A 10 TRP CA . 34519 1 92 . 1 . 1 10 10 TRP CB C 13 28.6 0.3 . 1 . . . . A 10 TRP CB . 34519 1 93 . 1 . 1 10 10 TRP N N 15 125.7 0.3 . 1 . . . . A 10 TRP N . 34519 1 94 . 1 . 1 10 10 TRP NE1 N 15 128.0 0.3 . 1 . . . . A 10 TRP NE1 . 34519 1 95 . 1 . 1 11 11 ASP H H 1 7.75 0.02 . 1 . . . . A 11 ASP H . 34519 1 96 . 1 . 1 11 11 ASP HA H 1 4.16 0.02 . 1 . . . . A 11 ASP HA . 34519 1 97 . 1 . 1 11 11 ASP HB2 H 1 2.40 0.02 . 1 . . . . A 11 ASP HB2 . 34519 1 98 . 1 . 1 11 11 ASP C C 13 175.2 0.3 . 1 . . . . A 11 ASP C . 34519 1 99 . 1 . 1 11 11 ASP CA C 13 52.7 0.3 . 1 . . . . A 11 ASP CA . 34519 1 100 . 1 . 1 11 11 ASP CB C 13 44.8 0.3 . 1 . . . . A 11 ASP CB . 34519 1 101 . 1 . 1 11 11 ASP N N 15 128.5 0.3 . 1 . . . . A 11 ASP N . 34519 1 102 . 1 . 1 12 12 ALA H H 1 7.89 0.02 . 1 . . . . A 12 ALA H . 34519 1 103 . 1 . 1 12 12 ALA HA H 1 3.27 0.02 . 1 . . . . A 12 ALA HA . 34519 1 104 . 1 . 1 12 12 ALA HB1 H 1 1.27 0.02 . 1 . . . . A 12 ALA HB1 . 34519 1 105 . 1 . 1 12 12 ALA HB2 H 1 1.27 0.02 . 1 . . . . A 12 ALA HB2 . 34519 1 106 . 1 . 1 12 12 ALA HB3 H 1 1.27 0.02 . 1 . . . . A 12 ALA HB3 . 34519 1 107 . 1 . 1 12 12 ALA C C 13 177.5 0.3 . 1 . . . . A 12 ALA C . 34519 1 108 . 1 . 1 12 12 ALA CA C 13 55.3 0.3 . 1 . . . . A 12 ALA CA . 34519 1 109 . 1 . 1 12 12 ALA CB C 13 19.2 0.3 . 1 . . . . A 12 ALA CB . 34519 1 110 . 1 . 1 12 12 ALA N N 15 125.7 0.3 . 1 . . . . A 12 ALA N . 34519 1 111 . 1 . 1 13 13 SER H H 1 7.80 0.02 . 1 . . . . A 13 SER H . 34519 1 112 . 1 . 1 13 13 SER HA H 1 5.17 0.02 . 1 . . . . A 13 SER HA . 34519 1 113 . 1 . 1 13 13 SER HB2 H 1 3.91 0.02 . 2 . . . . A 13 SER HB2 . 34519 1 114 . 1 . 1 13 13 SER HB3 H 1 3.76 0.02 . 2 . . . . A 13 SER HB3 . 34519 1 115 . 1 . 1 13 13 SER C C 13 175.6 0.3 . 1 . . . . A 13 SER C . 34519 1 116 . 1 . 1 13 13 SER CA C 13 58.4 0.3 . 1 . . . . A 13 SER CA . 34519 1 117 . 1 . 1 13 13 SER CB C 13 64.0 0.3 . 1 . . . . A 13 SER CB . 34519 1 118 . 1 . 1 13 13 SER N N 15 109.0 0.3 . 1 . . . . A 13 SER N . 34519 1 119 . 1 . 1 14 14 THR H H 1 7.10 0.02 . 1 . . . . A 14 THR H . 34519 1 120 . 1 . 1 14 14 THR HA H 1 3.68 0.02 . 1 . . . . A 14 THR HA . 34519 1 121 . 1 . 1 14 14 THR HB H 1 3.58 0.02 . 1 . . . . A 14 THR HB . 34519 1 122 . 1 . 1 14 14 THR HG21 H 1 0.25 0.02 . 1 . . . . A 14 THR HG21 . 34519 1 123 . 1 . 1 14 14 THR HG22 H 1 0.25 0.02 . 1 . . . . A 14 THR HG22 . 34519 1 124 . 1 . 1 14 14 THR HG23 H 1 0.25 0.02 . 1 . . . . A 14 THR HG23 . 34519 1 125 . 1 . 1 14 14 THR C C 13 172.3 0.3 . 1 . . . . A 14 THR C . 34519 1 126 . 1 . 1 14 14 THR CA C 13 64.3 0.3 . 1 . . . . A 14 THR CA . 34519 1 127 . 1 . 1 14 14 THR CB C 13 70.0 0.3 . 1 . . . . A 14 THR CB . 34519 1 128 . 1 . 1 14 14 THR CG2 C 13 18.5 0.3 . 1 . . . . A 14 THR CG2 . 34519 1 129 . 1 . 1 14 14 THR N N 15 122.2 0.3 . 1 . . . . A 14 THR N . 34519 1 130 . 1 . 1 15 15 VAL H H 1 8.01 0.02 . 1 . . . . A 15 VAL H . 34519 1 131 . 1 . 1 15 15 VAL HA H 1 3.73 0.02 . 1 . . . . A 15 VAL HA . 34519 1 132 . 1 . 1 15 15 VAL HB H 1 1.49 0.02 . 1 . . . . A 15 VAL HB . 34519 1 133 . 1 . 1 15 15 VAL HG11 H 1 0.62 0.02 . 1 . . . . A 15 VAL HG11 . 34519 1 134 . 1 . 1 15 15 VAL HG12 H 1 0.62 0.02 . 1 . . . . A 15 VAL HG12 . 34519 1 135 . 1 . 1 15 15 VAL HG13 H 1 0.62 0.02 . 1 . . . . A 15 VAL HG13 . 34519 1 136 . 1 . 1 15 15 VAL HG21 H 1 -0.04 0.02 . 1 . . . . A 15 VAL HG21 . 34519 1 137 . 1 . 1 15 15 VAL HG22 H 1 -0.04 0.02 . 1 . . . . A 15 VAL HG22 . 34519 1 138 . 1 . 1 15 15 VAL HG23 H 1 -0.04 0.02 . 1 . . . . A 15 VAL HG23 . 34519 1 139 . 1 . 1 15 15 VAL C C 13 175.5 0.3 . 1 . . . . A 15 VAL C . 34519 1 140 . 1 . 1 15 15 VAL CA C 13 62.2 0.3 . 1 . . . . A 15 VAL CA . 34519 1 141 . 1 . 1 15 15 VAL CB C 13 32.0 0.3 . 1 . . . . A 15 VAL CB . 34519 1 142 . 1 . 1 15 15 VAL CG1 C 13 18.7 0.3 . 1 . . . . A 15 VAL CG1 . 34519 1 143 . 1 . 1 15 15 VAL CG2 C 13 17.7 0.3 . 1 . . . . A 15 VAL CG2 . 34519 1 144 . 1 . 1 15 15 VAL N N 15 126.4 0.3 . 1 . . . . A 15 VAL N . 34519 1 145 . 1 . 1 16 16 TYR H H 1 8.55 0.02 . 1 . . . . A 16 TYR H . 34519 1 146 . 1 . 1 16 16 TYR HA H 1 4.93 0.02 . 1 . . . . A 16 TYR HA . 34519 1 147 . 1 . 1 16 16 TYR HB2 H 1 2.60 0.02 . 2 . . . . A 16 TYR HB2 . 34519 1 148 . 1 . 1 16 16 TYR HB3 H 1 2.45 0.02 . 2 . . . . A 16 TYR HB3 . 34519 1 149 . 1 . 1 16 16 TYR HD1 H 1 5.81 0.02 . 1 . . . . A 16 TYR HD1 . 34519 1 150 . 1 . 1 16 16 TYR C C 13 174.0 0.3 . 1 . . . . A 16 TYR C . 34519 1 151 . 1 . 1 16 16 TYR CA C 13 56.3 0.3 . 1 . . . . A 16 TYR CA . 34519 1 152 . 1 . 1 16 16 TYR CB C 13 41.5 0.3 . 1 . . . . A 16 TYR CB . 34519 1 153 . 1 . 1 16 16 TYR CD1 C 13 121.3 0.3 . 1 . . . . A 16 TYR CD1 . 34519 1 154 . 1 . 1 16 16 TYR N N 15 127.1 0.3 . 1 . . . . A 16 TYR N . 34519 1 155 . 1 . 1 17 17 THR H H 1 8.12 0.02 . 1 . . . . A 17 THR H . 34519 1 156 . 1 . 1 17 17 THR HA H 1 4.19 0.02 . 1 . . . . A 17 THR HA . 34519 1 157 . 1 . 1 17 17 THR HB H 1 4.07 0.02 . 1 . . . . A 17 THR HB . 34519 1 158 . 1 . 1 17 17 THR HG21 H 1 0.99 0.02 . 1 . . . . A 17 THR HG21 . 34519 1 159 . 1 . 1 17 17 THR HG22 H 1 0.99 0.02 . 1 . . . . A 17 THR HG22 . 34519 1 160 . 1 . 1 17 17 THR HG23 H 1 0.99 0.02 . 1 . . . . A 17 THR HG23 . 34519 1 161 . 1 . 1 17 17 THR C C 13 174.4 0.3 . 1 . . . . A 17 THR C . 34519 1 162 . 1 . 1 17 17 THR CA C 13 59.0 0.3 . 1 . . . . A 17 THR CA . 34519 1 163 . 1 . 1 17 17 THR CB C 13 71.4 0.3 . 1 . . . . A 17 THR CB . 34519 1 164 . 1 . 1 17 17 THR CG2 C 13 18.7 0.3 . 1 . . . . A 17 THR CG2 . 34519 1 165 . 1 . 1 17 17 THR N N 15 107.9 0.3 . 1 . . . . A 17 THR N . 34519 1 166 . 1 . 1 18 18 ASN H H 1 8.22 0.02 . 1 . . . . A 18 ASN H . 34519 1 167 . 1 . 1 18 18 ASN HA H 1 4.84 0.02 . 1 . . . . A 18 ASN HA . 34519 1 168 . 1 . 1 18 18 ASN HB2 H 1 2.35 0.02 . 2 . . . . A 18 ASN HB2 . 34519 1 169 . 1 . 1 18 18 ASN HB3 H 1 2.33 0.02 . 2 . . . . A 18 ASN HB3 . 34519 1 170 . 1 . 1 18 18 ASN HD21 H 1 7.98 0.02 . 1 . . . . A 18 ASN HD21 . 34519 1 171 . 1 . 1 18 18 ASN HD22 H 1 7.04 0.02 . 1 . . . . A 18 ASN HD22 . 34519 1 172 . 1 . 1 18 18 ASN C C 13 174.8 0.3 . 1 . . . . A 18 ASN C . 34519 1 173 . 1 . 1 18 18 ASN CA C 13 52.5 0.3 . 1 . . . . A 18 ASN CA . 34519 1 174 . 1 . 1 18 18 ASN CB C 13 40.0 0.3 . 1 . . . . A 18 ASN CB . 34519 1 175 . 1 . 1 18 18 ASN N N 15 120.4 0.3 . 1 . . . . A 18 ASN N . 34519 1 176 . 1 . 1 18 18 ASN ND2 N 15 113.8 0.3 . 1 . . . . A 18 ASN ND2 . 34519 1 177 . 1 . 1 19 19 PRO HA H 1 4.86 0.02 . 1 . . . . A 19 PRO HA . 34519 1 178 . 1 . 1 19 19 PRO HB2 H 1 2.43 0.02 . 2 . . . . A 19 PRO HB2 . 34519 1 179 . 1 . 1 19 19 PRO HB3 H 1 1.68 0.02 . 2 . . . . A 19 PRO HB3 . 34519 1 180 . 1 . 1 19 19 PRO HG2 H 1 1.89 0.02 . 2 . . . . A 19 PRO HG2 . 34519 1 181 . 1 . 1 19 19 PRO HG3 H 1 1.63 0.02 . 2 . . . . A 19 PRO HG3 . 34519 1 182 . 1 . 1 19 19 PRO HD2 H 1 3.59 0.02 . 2 . . . . A 19 PRO HD2 . 34519 1 183 . 1 . 1 19 19 PRO HD3 H 1 3.18 0.02 . 2 . . . . A 19 PRO HD3 . 34519 1 184 . 1 . 1 19 19 PRO CA C 13 64.3 0.3 . 1 . . . . A 19 PRO CA . 34519 1 185 . 1 . 1 19 19 PRO CB C 13 29.8 0.3 . 1 . . . . A 19 PRO CB . 34519 1 186 . 1 . 1 19 19 PRO CG C 13 20.8 0.3 . 1 . . . . A 19 PRO CG . 34519 1 187 . 1 . 1 19 19 PRO CD C 13 45.0 0.3 . 1 . . . . A 19 PRO CD . 34519 1 188 . 1 . 1 20 20 GLN H H 1 9.20 0.02 . 1 . . . . A 20 GLN H . 34519 1 189 . 1 . 1 20 20 GLN HA H 1 4.03 0.02 . 1 . . . . A 20 GLN HA . 34519 1 190 . 1 . 1 20 20 GLN HB2 H 1 2.46 0.02 . 2 . . . . A 20 GLN HB2 . 34519 1 191 . 1 . 1 20 20 GLN HB3 H 1 2.19 0.02 . 2 . . . . A 20 GLN HB3 . 34519 1 192 . 1 . 1 20 20 GLN HG2 H 1 2.56 0.02 . 2 . . . . A 20 GLN HG2 . 34519 1 193 . 1 . 1 20 20 GLN HG3 H 1 2.46 0.02 . 2 . . . . A 20 GLN HG3 . 34519 1 194 . 1 . 1 20 20 GLN HE21 H 1 7.56 0.02 . 1 . . . . A 20 GLN HE21 . 34519 1 195 . 1 . 1 20 20 GLN HE22 H 1 6.98 0.02 . 1 . . . . A 20 GLN HE22 . 34519 1 196 . 1 . 1 20 20 GLN C C 13 176.1 0.3 . 1 . . . . A 20 GLN C . 34519 1 197 . 1 . 1 20 20 GLN CA C 13 59.5 0.3 . 1 . . . . A 20 GLN CA . 34519 1 198 . 1 . 1 20 20 GLN CB C 13 30.4 0.3 . 1 . . . . A 20 GLN CB . 34519 1 199 . 1 . 1 20 20 GLN CG C 13 32.9 0.3 . 1 . . . . A 20 GLN CG . 34519 1 200 . 1 . 1 20 20 GLN N N 15 122.6 0.3 . 1 . . . . A 20 GLN N . 34519 1 201 . 1 . 1 20 20 GLN NE2 N 15 111.2 0.3 . 1 . . . . A 20 GLN NE2 . 34519 1 202 . 1 . 1 21 21 GLN H H 1 7.98 0.02 . 1 . . . . A 21 GLN H . 34519 1 203 . 1 . 1 21 21 GLN HA H 1 5.87 0.02 . 1 . . . . A 21 GLN HA . 34519 1 204 . 1 . 1 21 21 GLN HB2 H 1 2.01 0.02 . 2 . . . . A 21 GLN HB2 . 34519 1 205 . 1 . 1 21 21 GLN HB3 H 1 1.87 0.02 . 2 . . . . A 21 GLN HB3 . 34519 1 206 . 1 . 1 21 21 GLN HG2 H 1 2.73 0.02 . 2 . . . . A 21 GLN HG2 . 34519 1 207 . 1 . 1 21 21 GLN HG3 H 1 2.13 0.02 . 2 . . . . A 21 GLN HG3 . 34519 1 208 . 1 . 1 21 21 GLN HE21 H 1 7.82 0.02 . 1 . . . . A 21 GLN HE21 . 34519 1 209 . 1 . 1 21 21 GLN HE22 H 1 6.65 0.02 . 1 . . . . A 21 GLN HE22 . 34519 1 210 . 1 . 1 21 21 GLN C C 13 176.6 0.3 . 1 . . . . A 21 GLN C . 34519 1 211 . 1 . 1 21 21 GLN CA C 13 54.1 0.3 . 1 . . . . A 21 GLN CA . 34519 1 212 . 1 . 1 21 21 GLN CB C 13 32.5 0.3 . 1 . . . . A 21 GLN CB . 34519 1 213 . 1 . 1 21 21 GLN CG C 13 31.2 0.3 . 1 . . . . A 21 GLN CG . 34519 1 214 . 1 . 1 21 21 GLN N N 15 118.5 0.3 . 1 . . . . A 21 GLN N . 34519 1 215 . 1 . 1 21 21 GLN NE2 N 15 110.7 0.3 . 1 . . . . A 21 GLN NE2 . 34519 1 216 . 1 . 1 22 22 VAL H H 1 8.80 0.02 . 1 . . . . A 22 VAL H . 34519 1 217 . 1 . 1 22 22 VAL HA H 1 4.92 0.02 . 1 . . . . A 22 VAL HA . 34519 1 218 . 1 . 1 22 22 VAL HB H 1 2.03 0.02 . 1 . . . . A 22 VAL HB . 34519 1 219 . 1 . 1 22 22 VAL HG11 H 1 0.49 0.02 . 1 . . . . A 22 VAL HG11 . 34519 1 220 . 1 . 1 22 22 VAL HG12 H 1 0.49 0.02 . 1 . . . . A 22 VAL HG12 . 34519 1 221 . 1 . 1 22 22 VAL HG13 H 1 0.49 0.02 . 1 . . . . A 22 VAL HG13 . 34519 1 222 . 1 . 1 22 22 VAL HG21 H 1 -0.01 0.02 . 1 . . . . A 22 VAL HG21 . 34519 1 223 . 1 . 1 22 22 VAL HG22 H 1 -0.01 0.02 . 1 . . . . A 22 VAL HG22 . 34519 1 224 . 1 . 1 22 22 VAL HG23 H 1 -0.01 0.02 . 1 . . . . A 22 VAL HG23 . 34519 1 225 . 1 . 1 22 22 VAL C C 13 174.4 0.3 . 1 . . . . A 22 VAL C . 34519 1 226 . 1 . 1 22 22 VAL CA C 13 58.6 0.3 . 1 . . . . A 22 VAL CA . 34519 1 227 . 1 . 1 22 22 VAL CB C 13 36.7 0.3 . 1 . . . . A 22 VAL CB . 34519 1 228 . 1 . 1 22 22 VAL CG1 C 13 20.3 0.3 . 1 . . . . A 22 VAL CG1 . 34519 1 229 . 1 . 1 22 22 VAL CG2 C 13 16.5 0.3 . 1 . . . . A 22 VAL CG2 . 34519 1 230 . 1 . 1 22 22 VAL N N 15 110.3 0.3 . 1 . . . . A 22 VAL N . 34519 1 231 . 1 . 1 23 23 LYS H H 1 8.51 0.02 . 1 . . . . A 23 LYS H . 34519 1 232 . 1 . 1 23 23 LYS HA H 1 5.57 0.02 . 1 . . . . A 23 LYS HA . 34519 1 233 . 1 . 1 23 23 LYS HB2 H 1 1.72 0.02 . 2 . . . . A 23 LYS HB2 . 34519 1 234 . 1 . 1 23 23 LYS HB3 H 1 1.57 0.02 . 2 . . . . A 23 LYS HB3 . 34519 1 235 . 1 . 1 23 23 LYS HG2 H 1 1.30 0.02 . 2 . . . . A 23 LYS HG2 . 34519 1 236 . 1 . 1 23 23 LYS HG3 H 1 1.19 0.02 . 2 . . . . A 23 LYS HG3 . 34519 1 237 . 1 . 1 23 23 LYS HD2 H 1 1.59 0.02 . 1 . . . . A 23 LYS HD2 . 34519 1 238 . 1 . 1 23 23 LYS HE2 H 1 2.93 0.02 . 1 . . . . A 23 LYS HE2 . 34519 1 239 . 1 . 1 23 23 LYS C C 13 176.5 0.3 . 1 . . . . A 23 LYS C . 34519 1 240 . 1 . 1 23 23 LYS CA C 13 53.6 0.3 . 1 . . . . A 23 LYS CA . 34519 1 241 . 1 . 1 23 23 LYS CB C 13 36.6 0.3 . 1 . . . . A 23 LYS CB . 34519 1 242 . 1 . 1 23 23 LYS CG C 13 21.2 0.3 . 1 . . . . A 23 LYS CG . 34519 1 243 . 1 . 1 23 23 LYS CD C 13 28.1 0.3 . 1 . . . . A 23 LYS CD . 34519 1 244 . 1 . 1 23 23 LYS CE C 13 39.8 0.3 . 1 . . . . A 23 LYS CE . 34519 1 245 . 1 . 1 23 23 LYS N N 15 118.0 0.3 . 1 . . . . A 23 LYS N . 34519 1 246 . 1 . 1 24 24 HIS H H 1 9.38 0.02 . 1 . . . . A 24 HIS H . 34519 1 247 . 1 . 1 24 24 HIS HA H 1 4.70 0.02 . 1 . . . . A 24 HIS HA . 34519 1 248 . 1 . 1 24 24 HIS HB2 H 1 2.56 0.02 . 2 . . . . A 24 HIS HB2 . 34519 1 249 . 1 . 1 24 24 HIS HB3 H 1 2.52 0.02 . 2 . . . . A 24 HIS HB3 . 34519 1 250 . 1 . 1 24 24 HIS C C 13 175.6 0.3 . 1 . . . . A 24 HIS C . 34519 1 251 . 1 . 1 24 24 HIS CA C 13 57.5 0.3 . 1 . . . . A 24 HIS CA . 34519 1 252 . 1 . 1 24 24 HIS CB C 13 32.9 0.3 . 1 . . . . A 24 HIS CB . 34519 1 253 . 1 . 1 24 24 HIS N N 15 121.7 0.3 . 1 . . . . A 24 HIS N . 34519 1 254 . 1 . 1 25 25 ASN H H 1 8.92 0.02 . 1 . . . . A 25 ASN H . 34519 1 255 . 1 . 1 25 25 ASN HA H 1 4.05 0.02 . 1 . . . . A 25 ASN HA . 34519 1 256 . 1 . 1 25 25 ASN HB2 H 1 2.82 0.02 . 2 . . . . A 25 ASN HB2 . 34519 1 257 . 1 . 1 25 25 ASN HB3 H 1 2.04 0.02 . 2 . . . . A 25 ASN HB3 . 34519 1 258 . 1 . 1 25 25 ASN HD21 H 1 7.00 0.02 . 1 . . . . A 25 ASN HD21 . 34519 1 259 . 1 . 1 25 25 ASN HD22 H 1 6.53 0.02 . 1 . . . . A 25 ASN HD22 . 34519 1 260 . 1 . 1 25 25 ASN C C 13 174.8 0.3 . 1 . . . . A 25 ASN C . 34519 1 261 . 1 . 1 25 25 ASN CA C 13 54.3 0.3 . 1 . . . . A 25 ASN CA . 34519 1 262 . 1 . 1 25 25 ASN CB C 13 36.7 0.3 . 1 . . . . A 25 ASN CB . 34519 1 263 . 1 . 1 25 25 ASN N N 15 128.2 0.3 . 1 . . . . A 25 ASN N . 34519 1 264 . 1 . 1 25 25 ASN ND2 N 15 110.8 0.3 . 1 . . . . A 25 ASN ND2 . 34519 1 265 . 1 . 1 26 26 SER H H 1 8.78 0.02 . 1 . . . . A 26 SER H . 34519 1 266 . 1 . 1 26 26 SER HA H 1 3.73 0.02 . 1 . . . . A 26 SER HA . 34519 1 267 . 1 . 1 26 26 SER HB2 H 1 4.04 0.02 . 2 . . . . A 26 SER HB2 . 34519 1 268 . 1 . 1 26 26 SER HB3 H 1 3.95 0.02 . 2 . . . . A 26 SER HB3 . 34519 1 269 . 1 . 1 26 26 SER C C 13 173.4 0.3 . 1 . . . . A 26 SER C . 34519 1 270 . 1 . 1 26 26 SER CA C 13 60.7 0.3 . 1 . . . . A 26 SER CA . 34519 1 271 . 1 . 1 26 26 SER CB C 13 62.3 0.3 . 1 . . . . A 26 SER CB . 34519 1 272 . 1 . 1 26 26 SER N N 15 106.3 0.3 . 1 . . . . A 26 SER N . 34519 1 273 . 1 . 1 27 27 LYS H H 1 7.93 0.02 . 1 . . . . A 27 LYS H . 34519 1 274 . 1 . 1 27 27 LYS HA H 1 4.52 0.02 . 1 . . . . A 27 LYS HA . 34519 1 275 . 1 . 1 27 27 LYS HB2 H 1 1.51 0.02 . 2 . . . . A 27 LYS HB2 . 34519 1 276 . 1 . 1 27 27 LYS HB3 H 1 1.07 0.02 . 2 . . . . A 27 LYS HB3 . 34519 1 277 . 1 . 1 27 27 LYS HG2 H 1 1.06 0.02 . 2 . . . . A 27 LYS HG2 . 34519 1 278 . 1 . 1 27 27 LYS HG3 H 1 0.89 0.02 . 2 . . . . A 27 LYS HG3 . 34519 1 279 . 1 . 1 27 27 LYS HD2 H 1 1.60 0.02 . 2 . . . . A 27 LYS HD2 . 34519 1 280 . 1 . 1 27 27 LYS HD3 H 1 1.37 0.02 . 2 . . . . A 27 LYS HD3 . 34519 1 281 . 1 . 1 27 27 LYS HE2 H 1 2.79 0.02 . 2 . . . . A 27 LYS HE2 . 34519 1 282 . 1 . 1 27 27 LYS HE3 H 1 2.60 0.02 . 2 . . . . A 27 LYS HE3 . 34519 1 283 . 1 . 1 27 27 LYS C C 13 172.7 0.3 . 1 . . . . A 27 LYS C . 34519 1 284 . 1 . 1 27 27 LYS CA C 13 55.9 0.3 . 1 . . . . A 27 LYS CA . 34519 1 285 . 1 . 1 27 27 LYS CB C 13 35.3 0.3 . 1 . . . . A 27 LYS CB . 34519 1 286 . 1 . 1 27 27 LYS CG C 13 22.7 0.3 . 1 . . . . A 27 LYS CG . 34519 1 287 . 1 . 1 27 27 LYS CD C 13 25.9 0.3 . 1 . . . . A 27 LYS CD . 34519 1 288 . 1 . 1 27 27 LYS CE C 13 38.8 0.3 . 1 . . . . A 27 LYS CE . 34519 1 289 . 1 . 1 27 27 LYS N N 15 122.5 0.3 . 1 . . . . A 27 LYS N . 34519 1 290 . 1 . 1 28 28 ARG H H 1 8.01 0.02 . 1 . . . . A 28 ARG H . 34519 1 291 . 1 . 1 28 28 ARG HA H 1 4.70 0.02 . 1 . . . . A 28 ARG HA . 34519 1 292 . 1 . 1 28 28 ARG HB2 H 1 1.47 0.02 . 2 . . . . A 28 ARG HB2 . 34519 1 293 . 1 . 1 28 28 ARG HB3 H 1 1.07 0.02 . 2 . . . . A 28 ARG HB3 . 34519 1 294 . 1 . 1 28 28 ARG HG2 H 1 1.21 0.02 . 2 . . . . A 28 ARG HG2 . 34519 1 295 . 1 . 1 28 28 ARG HG3 H 1 1.07 0.02 . 2 . . . . A 28 ARG HG3 . 34519 1 296 . 1 . 1 28 28 ARG HD2 H 1 3.23 0.02 . 2 . . . . A 28 ARG HD2 . 34519 1 297 . 1 . 1 28 28 ARG HD3 H 1 2.84 0.02 . 2 . . . . A 28 ARG HD3 . 34519 1 298 . 1 . 1 28 28 ARG C C 13 173.8 0.3 . 1 . . . . A 28 ARG C . 34519 1 299 . 1 . 1 28 28 ARG CA C 13 54.5 0.3 . 1 . . . . A 28 ARG CA . 34519 1 300 . 1 . 1 28 28 ARG CB C 13 33.6 0.3 . 1 . . . . A 28 ARG CB . 34519 1 301 . 1 . 1 28 28 ARG CG C 13 24.7 0.3 . 1 . . . . A 28 ARG CG . 34519 1 302 . 1 . 1 28 28 ARG CD C 13 41.1 0.3 . 1 . . . . A 28 ARG CD . 34519 1 303 . 1 . 1 28 28 ARG N N 15 121.9 0.3 . 1 . . . . A 28 ARG N . 34519 1 304 . 1 . 1 29 29 TYR H H 1 8.70 0.02 . 1 . . . . A 29 TYR H . 34519 1 305 . 1 . 1 29 29 TYR HA H 1 5.61 0.02 . 1 . . . . A 29 TYR HA . 34519 1 306 . 1 . 1 29 29 TYR HB2 H 1 2.72 0.02 . 2 . . . . A 29 TYR HB2 . 34519 1 307 . 1 . 1 29 29 TYR HB3 H 1 1.92 0.02 . 2 . . . . A 29 TYR HB3 . 34519 1 308 . 1 . 1 29 29 TYR HD1 H 1 6.42 0.02 . 1 . . . . A 29 TYR HD1 . 34519 1 309 . 1 . 1 29 29 TYR C C 13 175.2 0.3 . 1 . . . . A 29 TYR C . 34519 1 310 . 1 . 1 29 29 TYR CA C 13 55.9 0.3 . 1 . . . . A 29 TYR CA . 34519 1 311 . 1 . 1 29 29 TYR CB C 13 43.9 0.3 . 1 . . . . A 29 TYR CB . 34519 1 312 . 1 . 1 29 29 TYR CD1 C 13 130.3 0.3 . 1 . . . . A 29 TYR CD1 . 34519 1 313 . 1 . 1 29 29 TYR N N 15 120.2 0.3 . 1 . . . . A 29 TYR N . 34519 1 314 . 1 . 1 30 30 GLN H H 1 9.18 0.02 . 1 . . . . A 30 GLN H . 34519 1 315 . 1 . 1 30 30 GLN HA H 1 5.30 0.02 . 1 . . . . A 30 GLN HA . 34519 1 316 . 1 . 1 30 30 GLN HB2 H 1 2.00 0.02 . 2 . . . . A 30 GLN HB2 . 34519 1 317 . 1 . 1 30 30 GLN HB3 H 1 1.88 0.02 . 2 . . . . A 30 GLN HB3 . 34519 1 318 . 1 . 1 30 30 GLN HG2 H 1 2.01 0.02 . 1 . . . . A 30 GLN HG2 . 34519 1 319 . 1 . 1 30 30 GLN HE21 H 1 7.13 0.02 . 1 . . . . A 30 GLN HE21 . 34519 1 320 . 1 . 1 30 30 GLN HE22 H 1 6.72 0.02 . 1 . . . . A 30 GLN HE22 . 34519 1 321 . 1 . 1 30 30 GLN C C 13 174.9 0.3 . 1 . . . . A 30 GLN C . 34519 1 322 . 1 . 1 30 30 GLN CA C 13 53.9 0.3 . 1 . . . . A 30 GLN CA . 34519 1 323 . 1 . 1 30 30 GLN CB C 13 34.6 0.3 . 1 . . . . A 30 GLN CB . 34519 1 324 . 1 . 1 30 30 GLN N N 15 120.2 0.3 . 1 . . . . A 30 GLN N . 34519 1 325 . 1 . 1 30 30 GLN NE2 N 15 111.6 0.3 . 1 . . . . A 30 GLN NE2 . 34519 1 326 . 1 . 1 31 31 ALA H H 1 9.10 0.02 . 1 . . . . A 31 ALA H . 34519 1 327 . 1 . 1 31 31 ALA HA H 1 3.63 0.02 . 1 . . . . A 31 ALA HA . 34519 1 328 . 1 . 1 31 31 ALA HB1 H 1 0.49 0.02 . 1 . . . . A 31 ALA HB1 . 34519 1 329 . 1 . 1 31 31 ALA HB2 H 1 0.49 0.02 . 1 . . . . A 31 ALA HB2 . 34519 1 330 . 1 . 1 31 31 ALA HB3 H 1 0.49 0.02 . 1 . . . . A 31 ALA HB3 . 34519 1 331 . 1 . 1 31 31 ALA C C 13 178.4 0.3 . 1 . . . . A 31 ALA C . 34519 1 332 . 1 . 1 31 31 ALA CA C 13 52.7 0.3 . 1 . . . . A 31 ALA CA . 34519 1 333 . 1 . 1 31 31 ALA CB C 13 16.2 0.3 . 1 . . . . A 31 ALA CB . 34519 1 334 . 1 . 1 31 31 ALA N N 15 131.9 0.3 . 1 . . . . A 31 ALA N . 34519 1 335 . 1 . 1 32 32 ASN H H 1 9.02 0.02 . 1 . . . . A 32 ASN H . 34519 1 336 . 1 . 1 32 32 ASN HA H 1 4.46 0.02 . 1 . . . . A 32 ASN HA . 34519 1 337 . 1 . 1 32 32 ASN HB2 H 1 2.57 0.02 . 2 . . . . A 32 ASN HB2 . 34519 1 338 . 1 . 1 32 32 ASN HB3 H 1 1.89 0.02 . 2 . . . . A 32 ASN HB3 . 34519 1 339 . 1 . 1 32 32 ASN HD21 H 1 7.38 0.02 . 1 . . . . A 32 ASN HD21 . 34519 1 340 . 1 . 1 32 32 ASN HD22 H 1 5.60 0.02 . 1 . . . . A 32 ASN HD22 . 34519 1 341 . 1 . 1 32 32 ASN C C 13 175.8 0.3 . 1 . . . . A 32 ASN C . 34519 1 342 . 1 . 1 32 32 ASN CA C 13 54.2 0.3 . 1 . . . . A 32 ASN CA . 34519 1 343 . 1 . 1 32 32 ASN CB C 13 40.2 0.3 . 1 . . . . A 32 ASN CB . 34519 1 344 . 1 . 1 32 32 ASN N N 15 120.7 0.3 . 1 . . . . A 32 ASN N . 34519 1 345 . 1 . 1 32 32 ASN ND2 N 15 113.0 0.3 . 1 . . . . A 32 ASN ND2 . 34519 1 346 . 1 . 1 33 33 TYR H H 1 7.33 0.02 . 1 . . . . A 33 TYR H . 34519 1 347 . 1 . 1 33 33 TYR HA H 1 4.47 0.02 . 1 . . . . A 33 TYR HA . 34519 1 348 . 1 . 1 33 33 TYR HB2 H 1 3.36 0.02 . 2 . . . . A 33 TYR HB2 . 34519 1 349 . 1 . 1 33 33 TYR HB3 H 1 3.22 0.02 . 2 . . . . A 33 TYR HB3 . 34519 1 350 . 1 . 1 33 33 TYR HD1 H 1 7.03 0.02 . 1 . . . . A 33 TYR HD1 . 34519 1 351 . 1 . 1 33 33 TYR C C 13 172.2 0.3 . 1 . . . . A 33 TYR C . 34519 1 352 . 1 . 1 33 33 TYR CA C 13 55.4 0.3 . 1 . . . . A 33 TYR CA . 34519 1 353 . 1 . 1 33 33 TYR CB C 13 37.2 0.3 . 1 . . . . A 33 TYR CB . 34519 1 354 . 1 . 1 33 33 TYR CD1 C 13 131.5 0.3 . 1 . . . . A 33 TYR CD1 . 34519 1 355 . 1 . 1 33 33 TYR N N 15 113.8 0.3 . 1 . . . . A 33 TYR N . 34519 1 356 . 1 . 1 34 34 TRP H H 1 7.97 0.02 . 1 . . . . A 34 TRP H . 34519 1 357 . 1 . 1 34 34 TRP HA H 1 4.61 0.02 . 1 . . . . A 34 TRP HA . 34519 1 358 . 1 . 1 34 34 TRP HB2 H 1 3.27 0.02 . 2 . . . . A 34 TRP HB2 . 34519 1 359 . 1 . 1 34 34 TRP HB3 H 1 3.15 0.02 . 2 . . . . A 34 TRP HB3 . 34519 1 360 . 1 . 1 34 34 TRP HE1 H 1 9.97 0.02 . 1 . . . . A 34 TRP HE1 . 34519 1 361 . 1 . 1 34 34 TRP C C 13 176.8 0.3 . 1 . . . . A 34 TRP C . 34519 1 362 . 1 . 1 34 34 TRP CA C 13 59.9 0.3 . 1 . . . . A 34 TRP CA . 34519 1 363 . 1 . 1 34 34 TRP CB C 13 30.6 0.3 . 1 . . . . A 34 TRP CB . 34519 1 364 . 1 . 1 34 34 TRP N N 15 117.0 0.3 . 1 . . . . A 34 TRP N . 34519 1 365 . 1 . 1 34 34 TRP NE1 N 15 130.0 0.3 . 1 . . . . A 34 TRP NE1 . 34519 1 366 . 1 . 1 35 35 THR H H 1 8.69 0.02 . 1 . . . . A 35 THR H . 34519 1 367 . 1 . 1 35 35 THR HA H 1 4.58 0.02 . 1 . . . . A 35 THR HA . 34519 1 368 . 1 . 1 35 35 THR HB H 1 3.75 0.02 . 1 . . . . A 35 THR HB . 34519 1 369 . 1 . 1 35 35 THR HG21 H 1 0.55 0.02 . 1 . . . . A 35 THR HG21 . 34519 1 370 . 1 . 1 35 35 THR HG22 H 1 0.55 0.02 . 1 . . . . A 35 THR HG22 . 34519 1 371 . 1 . 1 35 35 THR HG23 H 1 0.55 0.02 . 1 . . . . A 35 THR HG23 . 34519 1 372 . 1 . 1 35 35 THR C C 13 170.2 0.3 . 1 . . . . A 35 THR C . 34519 1 373 . 1 . 1 35 35 THR CA C 13 61.2 0.3 . 1 . . . . A 35 THR CA . 34519 1 374 . 1 . 1 35 35 THR CB C 13 68.5 0.3 . 1 . . . . A 35 THR CB . 34519 1 375 . 1 . 1 35 35 THR CG2 C 13 16.3 0.3 . 1 . . . . A 35 THR CG2 . 34519 1 376 . 1 . 1 35 35 THR N N 15 123.1 0.3 . 1 . . . . A 35 THR N . 34519 1 377 . 1 . 1 36 36 GLN H H 1 7.16 0.02 . 1 . . . . A 36 GLN H . 34519 1 378 . 1 . 1 36 36 GLN HA H 1 4.00 0.02 . 1 . . . . A 36 GLN HA . 34519 1 379 . 1 . 1 36 36 GLN HB2 H 1 2.05 0.02 . 2 . . . . A 36 GLN HB2 . 34519 1 380 . 1 . 1 36 36 GLN HB3 H 1 1.90 0.02 . 2 . . . . A 36 GLN HB3 . 34519 1 381 . 1 . 1 36 36 GLN HG2 H 1 2.39 0.02 . 2 . . . . A 36 GLN HG2 . 34519 1 382 . 1 . 1 36 36 GLN HG3 H 1 2.30 0.02 . 2 . . . . A 36 GLN HG3 . 34519 1 383 . 1 . 1 36 36 GLN HE21 H 1 7.81 0.02 . 1 . . . . A 36 GLN HE21 . 34519 1 384 . 1 . 1 36 36 GLN HE22 H 1 6.75 0.02 . 1 . . . . A 36 GLN HE22 . 34519 1 385 . 1 . 1 36 36 GLN C C 13 175.5 0.3 . 1 . . . . A 36 GLN C . 34519 1 386 . 1 . 1 36 36 GLN CA C 13 55.1 0.3 . 1 . . . . A 36 GLN CA . 34519 1 387 . 1 . 1 36 36 GLN CB C 13 33.1 0.3 . 1 . . . . A 36 GLN CB . 34519 1 388 . 1 . 1 36 36 GLN CG C 13 27.8 0.3 . 1 . . . . A 36 GLN CG . 34519 1 389 . 1 . 1 36 36 GLN N N 15 126.2 0.3 . 1 . . . . A 36 GLN N . 34519 1 390 . 1 . 1 36 36 GLN NE2 N 15 112.6 0.3 . 1 . . . . A 36 GLN NE2 . 34519 1 391 . 1 . 1 37 37 ASN H H 1 9.68 0.02 . 1 . . . . A 37 ASN H . 34519 1 392 . 1 . 1 37 37 ASN HA H 1 4.70 0.02 . 1 . . . . A 37 ASN HA . 34519 1 393 . 1 . 1 37 37 ASN HB2 H 1 3.36 0.02 . 2 . . . . A 37 ASN HB2 . 34519 1 394 . 1 . 1 37 37 ASN HB3 H 1 2.54 0.02 . 2 . . . . A 37 ASN HB3 . 34519 1 395 . 1 . 1 37 37 ASN HD21 H 1 7.45 0.02 . 1 . . . . A 37 ASN HD21 . 34519 1 396 . 1 . 1 37 37 ASN HD22 H 1 6.59 0.02 . 1 . . . . A 37 ASN HD22 . 34519 1 397 . 1 . 1 37 37 ASN C C 13 175.3 0.3 . 1 . . . . A 37 ASN C . 34519 1 398 . 1 . 1 37 37 ASN CA C 13 55.0 0.3 . 1 . . . . A 37 ASN CA . 34519 1 399 . 1 . 1 37 37 ASN CB C 13 37.7 0.3 . 1 . . . . A 37 ASN CB . 34519 1 400 . 1 . 1 37 37 ASN N N 15 124.7 0.3 . 1 . . . . A 37 ASN N . 34519 1 401 . 1 . 1 37 37 ASN ND2 N 15 109.0 0.3 . 1 . . . . A 37 ASN ND2 . 34519 1 402 . 1 . 1 38 38 GLN H H 1 8.79 0.02 . 1 . . . . A 38 GLN H . 34519 1 403 . 1 . 1 38 38 GLN HA H 1 4.52 0.02 . 1 . . . . A 38 GLN HA . 34519 1 404 . 1 . 1 38 38 GLN HB2 H 1 2.04 0.02 . 2 . . . . A 38 GLN HB2 . 34519 1 405 . 1 . 1 38 38 GLN HB3 H 1 1.35 0.02 . 2 . . . . A 38 GLN HB3 . 34519 1 406 . 1 . 1 38 38 GLN HG2 H 1 2.43 0.02 . 2 . . . . A 38 GLN HG2 . 34519 1 407 . 1 . 1 38 38 GLN HG3 H 1 2.24 0.02 . 2 . . . . A 38 GLN HG3 . 34519 1 408 . 1 . 1 38 38 GLN HE21 H 1 7.98 0.02 . 1 . . . . A 38 GLN HE21 . 34519 1 409 . 1 . 1 38 38 GLN HE22 H 1 7.23 0.02 . 1 . . . . A 38 GLN HE22 . 34519 1 410 . 1 . 1 38 38 GLN C C 13 173.2 0.3 . 1 . . . . A 38 GLN C . 34519 1 411 . 1 . 1 38 38 GLN CA C 13 54.7 0.3 . 1 . . . . A 38 GLN CA . 34519 1 412 . 1 . 1 38 38 GLN CB C 13 30.7 0.3 . 1 . . . . A 38 GLN CB . 34519 1 413 . 1 . 1 38 38 GLN CG C 13 31.5 0.3 . 1 . . . . A 38 GLN CG . 34519 1 414 . 1 . 1 38 38 GLN N N 15 117.5 0.3 . 1 . . . . A 38 GLN N . 34519 1 415 . 1 . 1 38 38 GLN NE2 N 15 115.0 0.3 . 1 . . . . A 38 GLN NE2 . 34519 1 416 . 1 . 1 39 39 ASN H H 1 8.19 0.02 . 1 . . . . A 39 ASN H . 34519 1 417 . 1 . 1 39 39 ASN HA H 1 2.10 0.02 . 1 . . . . A 39 ASN HA . 34519 1 418 . 1 . 1 39 39 ASN HD21 H 1 7.42 0.02 . 1 . . . . A 39 ASN HD21 . 34519 1 419 . 1 . 1 39 39 ASN HD22 H 1 6.87 0.02 . 1 . . . . A 39 ASN HD22 . 34519 1 420 . 1 . 1 39 39 ASN C C 13 175.5 0.3 . 1 . . . . A 39 ASN C . 34519 1 421 . 1 . 1 39 39 ASN CA C 13 51.6 0.3 . 1 . . . . A 39 ASN CA . 34519 1 422 . 1 . 1 39 39 ASN N N 15 123.7 0.3 . 1 . . . . A 39 ASN N . 34519 1 423 . 1 . 1 39 39 ASN ND2 N 15 113.0 0.3 . 1 . . . . A 39 ASN ND2 . 34519 1 424 . 1 . 1 40 40 PRO HA H 1 2.88 0.02 . 1 . . . . A 40 PRO HA . 34519 1 425 . 1 . 1 40 40 PRO HB2 H 1 -0.59 0.02 . 2 . . . . A 40 PRO HB2 . 34519 1 426 . 1 . 1 40 40 PRO HB3 H 1 -0.72 0.02 . 2 . . . . A 40 PRO HB3 . 34519 1 427 . 1 . 1 40 40 PRO HG2 H 1 -0.71 0.02 . 2 . . . . A 40 PRO HG2 . 34519 1 428 . 1 . 1 40 40 PRO HG3 H 1 -0.76 0.02 . 2 . . . . A 40 PRO HG3 . 34519 1 429 . 1 . 1 40 40 PRO HD2 H 1 0.48 0.02 . 2 . . . . A 40 PRO HD2 . 34519 1 430 . 1 . 1 40 40 PRO HD3 H 1 0.10 0.02 . 2 . . . . A 40 PRO HD3 . 34519 1 431 . 1 . 1 40 40 PRO CA C 13 65.3 0.3 . 1 . . . . A 40 PRO CA . 34519 1 432 . 1 . 1 40 40 PRO CB C 13 29.4 0.3 . 1 . . . . A 40 PRO CB . 34519 1 433 . 1 . 1 40 40 PRO CG C 13 22.4 0.3 . 1 . . . . A 40 PRO CG . 34519 1 434 . 1 . 1 40 40 PRO CD C 13 45.4 0.3 . 1 . . . . A 40 PRO CD . 34519 1 435 . 1 . 1 41 41 SER H H 1 7.67 0.02 . 1 . . . . A 41 SER H . 34519 1 436 . 1 . 1 41 41 SER HA H 1 3.90 0.02 . 1 . . . . A 41 SER HA . 34519 1 437 . 1 . 1 41 41 SER HB2 H 1 3.74 0.02 . 2 . . . . A 41 SER HB2 . 34519 1 438 . 1 . 1 41 41 SER HB3 H 1 3.58 0.02 . 2 . . . . A 41 SER HB3 . 34519 1 439 . 1 . 1 41 41 SER C C 13 176.6 0.3 . 1 . . . . A 41 SER C . 34519 1 440 . 1 . 1 41 41 SER CA C 13 61.9 0.3 . 1 . . . . A 41 SER CA . 34519 1 441 . 1 . 1 41 41 SER CB C 13 63.2 0.3 . 1 . . . . A 41 SER CB . 34519 1 442 . 1 . 1 41 41 SER N N 15 107.9 0.3 . 1 . . . . A 41 SER N . 34519 1 443 . 1 . 1 42 42 THR H H 1 6.88 0.02 . 1 . . . . A 42 THR H . 34519 1 444 . 1 . 1 42 42 THR HA H 1 4.46 0.02 . 1 . . . . A 42 THR HA . 34519 1 445 . 1 . 1 42 42 THR HB H 1 4.40 0.02 . 1 . . . . A 42 THR HB . 34519 1 446 . 1 . 1 42 42 THR HG21 H 1 0.89 0.02 . 1 . . . . A 42 THR HG21 . 34519 1 447 . 1 . 1 42 42 THR HG22 H 1 0.89 0.02 . 1 . . . . A 42 THR HG22 . 34519 1 448 . 1 . 1 42 42 THR HG23 H 1 0.89 0.02 . 1 . . . . A 42 THR HG23 . 34519 1 449 . 1 . 1 42 42 THR C C 13 175.2 0.3 . 1 . . . . A 42 THR C . 34519 1 450 . 1 . 1 42 42 THR CA C 13 60.9 0.3 . 1 . . . . A 42 THR CA . 34519 1 451 . 1 . 1 42 42 THR CB C 13 68.4 0.3 . 1 . . . . A 42 THR CB . 34519 1 452 . 1 . 1 42 42 THR CG2 C 13 19.4 0.3 . 1 . . . . A 42 THR CG2 . 34519 1 453 . 1 . 1 42 42 THR N N 15 106.7 0.3 . 1 . . . . A 42 THR N . 34519 1 454 . 1 . 1 43 43 ASN H H 1 7.02 0.02 . 1 . . . . A 43 ASN H . 34519 1 455 . 1 . 1 43 43 ASN HA H 1 5.16 0.02 . 1 . . . . A 43 ASN HA . 34519 1 456 . 1 . 1 43 43 ASN HB2 H 1 2.71 0.02 . 2 . . . . A 43 ASN HB2 . 34519 1 457 . 1 . 1 43 43 ASN HB3 H 1 2.22 0.02 . 2 . . . . A 43 ASN HB3 . 34519 1 458 . 1 . 1 43 43 ASN HD21 H 1 8.01 0.02 . 1 . . . . A 43 ASN HD21 . 34519 1 459 . 1 . 1 43 43 ASN HD22 H 1 6.87 0.02 . 1 . . . . A 43 ASN HD22 . 34519 1 460 . 1 . 1 43 43 ASN C C 13 173.4 0.3 . 1 . . . . A 43 ASN C . 34519 1 461 . 1 . 1 43 43 ASN CA C 13 53.9 0.3 . 1 . . . . A 43 ASN CA . 34519 1 462 . 1 . 1 43 43 ASN CB C 13 40.1 0.3 . 1 . . . . A 43 ASN CB . 34519 1 463 . 1 . 1 43 43 ASN N N 15 120.8 0.3 . 1 . . . . A 43 ASN N . 34519 1 464 . 1 . 1 43 43 ASN ND2 N 15 119.3 0.3 . 1 . . . . A 43 ASN ND2 . 34519 1 465 . 1 . 1 44 44 SER H H 1 8.25 0.02 . 1 . . . . A 44 SER H . 34519 1 466 . 1 . 1 44 44 SER HA H 1 5.80 0.02 . 1 . . . . A 44 SER HA . 34519 1 467 . 1 . 1 44 44 SER HB2 H 1 4.17 0.02 . 2 . . . . A 44 SER HB2 . 34519 1 468 . 1 . 1 44 44 SER HB3 H 1 3.80 0.02 . 2 . . . . A 44 SER HB3 . 34519 1 469 . 1 . 1 44 44 SER C C 13 176.3 0.3 . 1 . . . . A 44 SER C . 34519 1 470 . 1 . 1 44 44 SER CA C 13 56.8 0.3 . 1 . . . . A 44 SER CA . 34519 1 471 . 1 . 1 44 44 SER CB C 13 64.0 0.3 . 1 . . . . A 44 SER CB . 34519 1 472 . 1 . 1 44 44 SER N N 15 112.7 0.3 . 1 . . . . A 44 SER N . 34519 1 473 . 1 . 1 45 45 GLY H H 1 8.20 0.02 . 1 . . . . A 45 GLY H . 34519 1 474 . 1 . 1 45 45 GLY HA2 H 1 4.18 0.02 . 2 . . . . A 45 GLY HA2 . 34519 1 475 . 1 . 1 45 45 GLY HA3 H 1 3.81 0.02 . 2 . . . . A 45 GLY HA3 . 34519 1 476 . 1 . 1 45 45 GLY C C 13 175.3 0.3 . 1 . . . . A 45 GLY C . 34519 1 477 . 1 . 1 45 45 GLY CA C 13 44.6 0.3 . 1 . . . . A 45 GLY CA . 34519 1 478 . 1 . 1 45 45 GLY N N 15 108.6 0.3 . 1 . . . . A 45 GLY N . 34519 1 479 . 1 . 1 46 46 GLN H H 1 8.58 0.02 . 1 . . . . A 46 GLN H . 34519 1 480 . 1 . 1 46 46 GLN HA H 1 3.74 0.02 . 1 . . . . A 46 GLN HA . 34519 1 481 . 1 . 1 46 46 GLN HB2 H 1 1.75 0.02 . 2 . . . . A 46 GLN HB2 . 34519 1 482 . 1 . 1 46 46 GLN HB3 H 1 1.47 0.02 . 2 . . . . A 46 GLN HB3 . 34519 1 483 . 1 . 1 46 46 GLN HG2 H 1 1.42 0.02 . 2 . . . . A 46 GLN HG2 . 34519 1 484 . 1 . 1 46 46 GLN HG3 H 1 1.40 0.02 . 2 . . . . A 46 GLN HG3 . 34519 1 485 . 1 . 1 46 46 GLN HE21 H 1 7.12 0.02 . 1 . . . . A 46 GLN HE21 . 34519 1 486 . 1 . 1 46 46 GLN HE22 H 1 6.68 0.02 . 1 . . . . A 46 GLN HE22 . 34519 1 487 . 1 . 1 46 46 GLN C C 13 177.6 0.3 . 1 . . . . A 46 GLN C . 34519 1 488 . 1 . 1 46 46 GLN CA C 13 59.0 0.3 . 1 . . . . A 46 GLN CA . 34519 1 489 . 1 . 1 46 46 GLN CB C 13 28.4 0.3 . 1 . . . . A 46 GLN CB . 34519 1 490 . 1 . 1 46 46 GLN CG C 13 29.8 0.3 . 1 . . . . A 46 GLN CG . 34519 1 491 . 1 . 1 46 46 GLN N N 15 121.3 0.3 . 1 . . . . A 46 GLN N . 34519 1 492 . 1 . 1 46 46 GLN NE2 N 15 111.3 0.3 . 1 . . . . A 46 GLN NE2 . 34519 1 493 . 1 . 1 47 47 TYR H H 1 8.65 0.02 . 1 . . . . A 47 TYR H . 34519 1 494 . 1 . 1 47 47 TYR HA H 1 4.68 0.02 . 1 . . . . A 47 TYR HA . 34519 1 495 . 1 . 1 47 47 TYR HB2 H 1 3.39 0.02 . 2 . . . . A 47 TYR HB2 . 34519 1 496 . 1 . 1 47 47 TYR HB3 H 1 2.91 0.02 . 2 . . . . A 47 TYR HB3 . 34519 1 497 . 1 . 1 47 47 TYR HD1 H 1 7.07 0.02 . 1 . . . . A 47 TYR HD1 . 34519 1 498 . 1 . 1 47 47 TYR C C 13 177.2 0.3 . 1 . . . . A 47 TYR C . 34519 1 499 . 1 . 1 47 47 TYR CA C 13 58.3 0.3 . 1 . . . . A 47 TYR CA . 34519 1 500 . 1 . 1 47 47 TYR CB C 13 36.8 0.3 . 1 . . . . A 47 TYR CB . 34519 1 501 . 1 . 1 47 47 TYR CD1 C 13 130.7 0.3 . 1 . . . . A 47 TYR CD1 . 34519 1 502 . 1 . 1 47 47 TYR N N 15 117.6 0.3 . 1 . . . . A 47 TYR N . 34519 1 503 . 1 . 1 48 48 GLY H H 1 7.94 0.02 . 1 . . . . A 48 GLY H . 34519 1 504 . 1 . 1 48 48 GLY HA2 H 1 4.31 0.02 . 2 . . . . A 48 GLY HA2 . 34519 1 505 . 1 . 1 48 48 GLY HA3 H 1 3.55 0.02 . 2 . . . . A 48 GLY HA3 . 34519 1 506 . 1 . 1 48 48 GLY C C 13 172.5 0.3 . 1 . . . . A 48 GLY C . 34519 1 507 . 1 . 1 48 48 GLY CA C 13 45.3 0.3 . 1 . . . . A 48 GLY CA . 34519 1 508 . 1 . 1 48 48 GLY N N 15 109.4 0.3 . 1 . . . . A 48 GLY N . 34519 1 509 . 1 . 1 49 49 PRO HA H 1 2.89 0.02 . 1 . . . . A 49 PRO HA . 34519 1 510 . 1 . 1 49 49 PRO HB2 H 1 1.93 0.02 . 2 . . . . A 49 PRO HB2 . 34519 1 511 . 1 . 1 49 49 PRO HB3 H 1 1.76 0.02 . 2 . . . . A 49 PRO HB3 . 34519 1 512 . 1 . 1 49 49 PRO HG2 H 1 1.04 0.02 . 1 . . . . A 49 PRO HG2 . 34519 1 513 . 1 . 1 49 49 PRO HD2 H 1 3.86 0.02 . 2 . . . . A 49 PRO HD2 . 34519 1 514 . 1 . 1 49 49 PRO HD3 H 1 3.47 0.02 . 2 . . . . A 49 PRO HD3 . 34519 1 515 . 1 . 1 49 49 PRO CA C 13 64.2 0.3 . 1 . . . . A 49 PRO CA . 34519 1 516 . 1 . 1 49 49 PRO CB C 13 27.4 0.3 . 1 . . . . A 49 PRO CB . 34519 1 517 . 1 . 1 49 49 PRO CG C 13 29.4 0.3 . 1 . . . . A 49 PRO CG . 34519 1 518 . 1 . 1 49 49 PRO CD C 13 47.1 0.3 . 1 . . . . A 49 PRO CD . 34519 1 519 . 1 . 1 50 50 TRP H H 1 7.14 0.02 . 1 . . . . A 50 TRP H . 34519 1 520 . 1 . 1 50 50 TRP HA H 1 5.01 0.02 . 1 . . . . A 50 TRP HA . 34519 1 521 . 1 . 1 50 50 TRP HB2 H 1 2.64 0.02 . 2 . . . . A 50 TRP HB2 . 34519 1 522 . 1 . 1 50 50 TRP HB3 H 1 2.48 0.02 . 2 . . . . A 50 TRP HB3 . 34519 1 523 . 1 . 1 50 50 TRP HE1 H 1 9.42 0.02 . 1 . . . . A 50 TRP HE1 . 34519 1 524 . 1 . 1 50 50 TRP C C 13 174.7 0.3 . 1 . . . . A 50 TRP C . 34519 1 525 . 1 . 1 50 50 TRP CA C 13 55.4 0.3 . 1 . . . . A 50 TRP CA . 34519 1 526 . 1 . 1 50 50 TRP CB C 13 32.6 0.3 . 1 . . . . A 50 TRP CB . 34519 1 527 . 1 . 1 50 50 TRP N N 15 115.8 0.3 . 1 . . . . A 50 TRP N . 34519 1 528 . 1 . 1 50 50 TRP NE1 N 15 127.3 0.3 . 1 . . . . A 50 TRP NE1 . 34519 1 529 . 1 . 1 51 51 LEU H H 1 9.69 0.02 . 1 . . . . A 51 LEU H . 34519 1 530 . 1 . 1 51 51 LEU HA H 1 4.57 0.02 . 1 . . . . A 51 LEU HA . 34519 1 531 . 1 . 1 51 51 LEU HB2 H 1 1.88 0.02 . 2 . . . . A 51 LEU HB2 . 34519 1 532 . 1 . 1 51 51 LEU HB3 H 1 1.61 0.02 . 2 . . . . A 51 LEU HB3 . 34519 1 533 . 1 . 1 51 51 LEU HG H 1 1.24 0.02 . 1 . . . . A 51 LEU HG . 34519 1 534 . 1 . 1 51 51 LEU HD11 H 1 0.86 0.02 . 1 . . . . A 51 LEU HD11 . 34519 1 535 . 1 . 1 51 51 LEU HD12 H 1 0.86 0.02 . 1 . . . . A 51 LEU HD12 . 34519 1 536 . 1 . 1 51 51 LEU HD13 H 1 0.86 0.02 . 1 . . . . A 51 LEU HD13 . 34519 1 537 . 1 . 1 51 51 LEU HD21 H 1 0.76 0.02 . 1 . . . . A 51 LEU HD21 . 34519 1 538 . 1 . 1 51 51 LEU HD22 H 1 0.76 0.02 . 1 . . . . A 51 LEU HD22 . 34519 1 539 . 1 . 1 51 51 LEU HD23 H 1 0.76 0.02 . 1 . . . . A 51 LEU HD23 . 34519 1 540 . 1 . 1 51 51 LEU C C 13 176.4 0.3 . 1 . . . . A 51 LEU C . 34519 1 541 . 1 . 1 51 51 LEU CA C 13 53.6 0.3 . 1 . . . . A 51 LEU CA . 34519 1 542 . 1 . 1 51 51 LEU CB C 13 44.2 0.3 . 1 . . . . A 51 LEU CB . 34519 1 543 . 1 . 1 51 51 LEU CG C 13 24.4 0.3 . 1 . . . . A 51 LEU CG . 34519 1 544 . 1 . 1 51 51 LEU CD1 C 13 20.5 0.3 . 1 . . . . A 51 LEU CD1 . 34519 1 545 . 1 . 1 51 51 LEU CD2 C 13 23.3 0.3 . 1 . . . . A 51 LEU CD2 . 34519 1 546 . 1 . 1 51 51 LEU N N 15 125.6 0.3 . 1 . . . . A 51 LEU N . 34519 1 547 . 1 . 1 52 52 ASP H H 1 9.08 0.02 . 1 . . . . A 52 ASP H . 34519 1 548 . 1 . 1 52 52 ASP HA H 1 4.19 0.02 . 1 . . . . A 52 ASP HA . 34519 1 549 . 1 . 1 52 52 ASP HB2 H 1 2.97 0.02 . 2 . . . . A 52 ASP HB2 . 34519 1 550 . 1 . 1 52 52 ASP HB3 H 1 2.44 0.02 . 2 . . . . A 52 ASP HB3 . 34519 1 551 . 1 . 1 52 52 ASP C C 13 176.6 0.3 . 1 . . . . A 52 ASP C . 34519 1 552 . 1 . 1 52 52 ASP CA C 13 54.4 0.3 . 1 . . . . A 52 ASP CA . 34519 1 553 . 1 . 1 52 52 ASP CB C 13 40.5 0.3 . 1 . . . . A 52 ASP CB . 34519 1 554 . 1 . 1 52 52 ASP N N 15 126.7 0.3 . 1 . . . . A 52 ASP N . 34519 1 555 . 1 . 1 53 53 LEU H H 1 8.83 0.02 . 1 . . . . A 53 LEU H . 34519 1 556 . 1 . 1 53 53 LEU HA H 1 4.28 0.02 . 1 . . . . A 53 LEU HA . 34519 1 557 . 1 . 1 53 53 LEU HB2 H 1 1.41 0.02 . 2 . . . . A 53 LEU HB2 . 34519 1 558 . 1 . 1 53 53 LEU HB3 H 1 1.14 0.02 . 2 . . . . A 53 LEU HB3 . 34519 1 559 . 1 . 1 53 53 LEU HG H 1 1.47 0.02 . 1 . . . . A 53 LEU HG . 34519 1 560 . 1 . 1 53 53 LEU HD11 H 1 0.64 0.02 . 1 . . . . A 53 LEU HD11 . 34519 1 561 . 1 . 1 53 53 LEU HD12 H 1 0.64 0.02 . 1 . . . . A 53 LEU HD12 . 34519 1 562 . 1 . 1 53 53 LEU HD13 H 1 0.64 0.02 . 1 . . . . A 53 LEU HD13 . 34519 1 563 . 1 . 1 53 53 LEU C C 13 178.3 0.3 . 1 . . . . A 53 LEU C . 34519 1 564 . 1 . 1 53 53 LEU CA C 13 54.2 0.3 . 1 . . . . A 53 LEU CA . 34519 1 565 . 1 . 1 53 53 LEU CB C 13 41.3 0.3 . 1 . . . . A 53 LEU CB . 34519 1 566 . 1 . 1 53 53 LEU CG C 13 22.8 0.3 . 1 . . . . A 53 LEU CG . 34519 1 567 . 1 . 1 53 53 LEU CD1 C 13 19.6 0.3 . 1 . . . . A 53 LEU CD1 . 34519 1 568 . 1 . 1 53 53 LEU N N 15 128.9 0.3 . 1 . . . . A 53 LEU N . 34519 1 569 . 1 . 1 54 54 GLY H H 1 9.03 0.02 . 1 . . . . A 54 GLY H . 34519 1 570 . 1 . 1 54 54 GLY HA2 H 1 4.18 0.02 . 2 . . . . A 54 GLY HA2 . 34519 1 571 . 1 . 1 54 54 GLY HA3 H 1 3.51 0.02 . 2 . . . . A 54 GLY HA3 . 34519 1 572 . 1 . 1 54 54 GLY C C 13 173.1 0.3 . 1 . . . . A 54 GLY C . 34519 1 573 . 1 . 1 54 54 GLY CA C 13 44.5 0.3 . 1 . . . . A 54 GLY CA . 34519 1 574 . 1 . 1 54 54 GLY N N 15 111.3 0.3 . 1 . . . . A 54 GLY N . 34519 1 575 . 1 . 1 55 55 ASN H H 1 8.24 0.02 . 1 . . . . A 55 ASN H . 34519 1 576 . 1 . 1 55 55 ASN HA H 1 4.41 0.02 . 1 . . . . A 55 ASN HA . 34519 1 577 . 1 . 1 55 55 ASN HB2 H 1 2.83 0.02 . 2 . . . . A 55 ASN HB2 . 34519 1 578 . 1 . 1 55 55 ASN HB3 H 1 2.50 0.02 . 2 . . . . A 55 ASN HB3 . 34519 1 579 . 1 . 1 55 55 ASN HD21 H 1 7.55 0.02 . 1 . . . . A 55 ASN HD21 . 34519 1 580 . 1 . 1 55 55 ASN HD22 H 1 6.85 0.02 . 1 . . . . A 55 ASN HD22 . 34519 1 581 . 1 . 1 55 55 ASN C C 13 177.2 0.3 . 1 . . . . A 55 ASN C . 34519 1 582 . 1 . 1 55 55 ASN CA C 13 54.3 0.3 . 1 . . . . A 55 ASN CA . 34519 1 583 . 1 . 1 55 55 ASN CB C 13 38.7 0.3 . 1 . . . . A 55 ASN CB . 34519 1 584 . 1 . 1 55 55 ASN N N 15 115.8 0.3 . 1 . . . . A 55 ASN N . 34519 1 585 . 1 . 1 55 55 ASN ND2 N 15 112.3 0.3 . 1 . . . . A 55 ASN ND2 . 34519 1 586 . 1 . 1 56 56 CYS H H 1 8.63 0.02 . 1 . . . . A 56 CYS H . 34519 1 587 . 1 . 1 56 56 CYS HA H 1 4.09 0.02 . 1 . . . . A 56 CYS HA . 34519 1 588 . 1 . 1 56 56 CYS HB2 H 1 3.05 0.02 . 2 . . . . A 56 CYS HB2 . 34519 1 589 . 1 . 1 56 56 CYS HB3 H 1 2.66 0.02 . 2 . . . . A 56 CYS HB3 . 34519 1 590 . 1 . 1 56 56 CYS C C 13 176.3 0.3 . 1 . . . . A 56 CYS C . 34519 1 591 . 1 . 1 56 56 CYS CA C 13 58.9 0.3 . 1 . . . . A 56 CYS CA . 34519 1 592 . 1 . 1 56 56 CYS CB C 13 40.4 0.3 . 1 . . . . A 56 CYS CB . 34519 1 593 . 1 . 1 56 56 CYS N N 15 120.4 0.3 . 1 . . . . A 56 CYS N . 34519 1 594 . 1 . 1 57 57 VAL H H 1 8.45 0.02 . 1 . . . . A 57 VAL H . 34519 1 595 . 1 . 1 57 57 VAL HA H 1 4.64 0.02 . 1 . . . . A 57 VAL HA . 34519 1 596 . 1 . 1 57 57 VAL HB H 1 1.85 0.02 . 1 . . . . A 57 VAL HB . 34519 1 597 . 1 . 1 57 57 VAL HG11 H 1 0.77 0.02 . 1 . . . . A 57 VAL HG11 . 34519 1 598 . 1 . 1 57 57 VAL HG12 H 1 0.77 0.02 . 1 . . . . A 57 VAL HG12 . 34519 1 599 . 1 . 1 57 57 VAL HG13 H 1 0.77 0.02 . 1 . . . . A 57 VAL HG13 . 34519 1 600 . 1 . 1 57 57 VAL HG21 H 1 0.76 0.02 . 1 . . . . A 57 VAL HG21 . 34519 1 601 . 1 . 1 57 57 VAL HG22 H 1 0.76 0.02 . 1 . . . . A 57 VAL HG22 . 34519 1 602 . 1 . 1 57 57 VAL HG23 H 1 0.76 0.02 . 1 . . . . A 57 VAL HG23 . 34519 1 603 . 1 . 1 57 57 VAL C C 13 176.4 0.3 . 1 . . . . A 57 VAL C . 34519 1 604 . 1 . 1 57 57 VAL CA C 13 62.5 0.3 . 1 . . . . A 57 VAL CA . 34519 1 605 . 1 . 1 57 57 VAL CB C 13 31.9 0.3 . 1 . . . . A 57 VAL CB . 34519 1 606 . 1 . 1 57 57 VAL CG1 C 13 18.6 0.3 . 1 . . . . A 57 VAL CG1 . 34519 1 607 . 1 . 1 57 57 VAL CG2 C 13 18.4 0.3 . 1 . . . . A 57 VAL CG2 . 34519 1 608 . 1 . 1 57 57 VAL N N 15 121.1 0.3 . 1 . . . . A 57 VAL N . 34519 1 609 . 1 . 1 58 58 THR H H 1 8.46 0.02 . 1 . . . . A 58 THR H . 34519 1 610 . 1 . 1 58 58 THR HA H 1 4.48 0.02 . 1 . . . . A 58 THR HA . 34519 1 611 . 1 . 1 58 58 THR HB H 1 4.22 0.02 . 1 . . . . A 58 THR HB . 34519 1 612 . 1 . 1 58 58 THR HG21 H 1 1.12 0.02 . 1 . . . . A 58 THR HG21 . 34519 1 613 . 1 . 1 58 58 THR HG22 H 1 1.12 0.02 . 1 . . . . A 58 THR HG22 . 34519 1 614 . 1 . 1 58 58 THR HG23 H 1 1.12 0.02 . 1 . . . . A 58 THR HG23 . 34519 1 615 . 1 . 1 58 58 THR C C 13 174.7 0.3 . 1 . . . . A 58 THR C . 34519 1 616 . 1 . 1 58 58 THR CA C 13 60.8 0.3 . 1 . . . . A 58 THR CA . 34519 1 617 . 1 . 1 58 58 THR CB C 13 70.4 0.3 . 1 . . . . A 58 THR CB . 34519 1 618 . 1 . 1 58 58 THR N N 15 119.6 0.3 . 1 . . . . A 58 THR N . 34519 1 619 . 1 . 1 59 59 SER H H 1 8.44 0.02 . 1 . . . . A 59 SER H . 34519 1 620 . 1 . 1 59 59 SER HA H 1 4.49 0.02 . 1 . . . . A 59 SER HA . 34519 1 621 . 1 . 1 59 59 SER HB2 H 1 4.17 0.02 . 2 . . . . A 59 SER HB2 . 34519 1 622 . 1 . 1 59 59 SER HB3 H 1 3.79 0.02 . 2 . . . . A 59 SER HB3 . 34519 1 623 . 1 . 1 59 59 SER C C 13 175.6 0.3 . 1 . . . . A 59 SER C . 34519 1 624 . 1 . 1 59 59 SER CA C 13 58.6 0.3 . 1 . . . . A 59 SER CA . 34519 1 625 . 1 . 1 59 59 SER CB C 13 64.1 0.3 . 1 . . . . A 59 SER CB . 34519 1 626 . 1 . 1 59 59 SER N N 15 117.6 0.3 . 1 . . . . A 59 SER N . 34519 1 627 . 1 . 1 60 60 GLY H H 1 8.40 0.02 . 1 . . . . A 60 GLY H . 34519 1 628 . 1 . 1 60 60 GLY HA2 H 1 3.86 0.02 . 1 . . . . A 60 GLY HA2 . 34519 1 629 . 1 . 1 60 60 GLY C C 13 174.1 0.3 . 1 . . . . A 60 GLY C . 34519 1 630 . 1 . 1 60 60 GLY CA C 13 45.5 0.3 . 1 . . . . A 60 GLY CA . 34519 1 631 . 1 . 1 60 60 GLY N N 15 110.9 0.3 . 1 . . . . A 60 GLY N . 34519 1 stop_ save_