data_18255 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18255 _Entry.Title ; Solution structure of a MbtH-like protein from Burkholderia pseudomallei, the etiological agent responsible for melioidosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target BupsA.13472.b. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-10 _Entry.Accession_date 2012-02-10 _Entry.Last_release_date 2012-02-13 _Entry.Original_release_date 2012-02-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Garry Buchko . W. . . 18255 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 18255 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Seattle Structural Genomics Center for Infectious Disease' . 18255 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SSGCID . 18255 'drug target' . 18255 'infectious disease' . 18255 melioidosis . 18255 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18255 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 18255 '15N chemical shifts' 84 18255 '1H chemical shifts' 517 18255 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-03-19 . original BMRB . 18255 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LPD 'BMRB Entry Tracking System' 18255 TargetDB BupsA.13472.b . 18255 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18255 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of a MbtH-like protein from Burkholderia pseudomallei, the etiological agent responsible for melioidosis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . . 18255 1 2 Stephan Hewitt . N. . . 18255 1 3 Alberto Napuli . J. . . 18255 1 4 Wesley 'Van Voorhis' . C . . 18255 1 5 Peter Myler . J. . . 18255 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18255 _Assembly.ID 1 _Assembly.Name 'MbtH-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MbtH-like protein' 1 $MbtH A . yes native no no . . . 18255 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MbtH _Entity.Sf_category entity _Entity.Sf_framecode MbtH _Entity.Entry_ID 18255 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MAHHHHHHMGTLEAQTQGPG SMDDELYFVVRNNEGQYSVW MDGRSLPAGWETVGEPATKQ QCLQRIEQLWTDMVPASVRE HLNQHSGPGIDYAVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 21 residues, MAHHHHHHMGTLEAQTQGPGS-,are non-native residue used to facilitate protein purification.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10805.033 _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 . 18255 1 2 . ALA . 18255 1 3 . HIS . 18255 1 4 . HIS . 18255 1 5 . HIS . 18255 1 6 . HIS . 18255 1 7 . HIS . 18255 1 8 . HIS . 18255 1 9 . MET . 18255 1 10 . GLY . 18255 1 11 . THR . 18255 1 12 . LEU . 18255 1 13 . GLU . 18255 1 14 . ALA . 18255 1 15 . GLN . 18255 1 16 . THR . 18255 1 17 . GLN . 18255 1 18 . GLY . 18255 1 19 . PRO . 18255 1 20 . GLY . 18255 1 21 . SER . 18255 1 22 . MET . 18255 1 23 . ASP . 18255 1 24 . ASP . 18255 1 25 . GLU . 18255 1 26 . LEU . 18255 1 27 . TYR . 18255 1 28 . PHE . 18255 1 29 . VAL . 18255 1 30 . VAL . 18255 1 31 . ARG . 18255 1 32 . ASN . 18255 1 33 . ASN . 18255 1 34 . GLU . 18255 1 35 . GLY . 18255 1 36 . GLN . 18255 1 37 . TYR . 18255 1 38 . SER . 18255 1 39 . VAL . 18255 1 40 . TRP . 18255 1 41 . MET . 18255 1 42 . ASP . 18255 1 43 . GLY . 18255 1 44 . ARG . 18255 1 45 . SER . 18255 1 46 . LEU . 18255 1 47 . PRO . 18255 1 48 . ALA . 18255 1 49 . GLY . 18255 1 50 . TRP . 18255 1 51 . GLU . 18255 1 52 . THR . 18255 1 53 . VAL . 18255 1 54 . GLY . 18255 1 55 . GLU . 18255 1 56 . PRO . 18255 1 57 . ALA . 18255 1 58 . THR . 18255 1 59 . LYS . 18255 1 60 . GLN . 18255 1 61 . GLN . 18255 1 62 . CYS . 18255 1 63 . LEU . 18255 1 64 . GLN . 18255 1 65 . ARG . 18255 1 66 . ILE . 18255 1 67 . GLU . 18255 1 68 . GLN . 18255 1 69 . LEU . 18255 1 70 . TRP . 18255 1 71 . THR . 18255 1 72 . ASP . 18255 1 73 . MET . 18255 1 74 . VAL . 18255 1 75 . PRO . 18255 1 76 . ALA . 18255 1 77 . SER . 18255 1 78 . VAL . 18255 1 79 . ARG . 18255 1 80 . GLU . 18255 1 81 . HIS . 18255 1 82 . LEU . 18255 1 83 . ASN . 18255 1 84 . GLN . 18255 1 85 . HIS . 18255 1 86 . SER . 18255 1 87 . GLY . 18255 1 88 . PRO . 18255 1 89 . GLY . 18255 1 90 . ILE . 18255 1 91 . ASP . 18255 1 92 . TYR . 18255 1 93 . ALA . 18255 1 94 . VAL . 18255 1 95 . ARG . 18255 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 18255 1 . ALA 2 2 18255 1 . HIS 3 3 18255 1 . HIS 4 4 18255 1 . HIS 5 5 18255 1 . HIS 6 6 18255 1 . HIS 7 7 18255 1 . HIS 8 8 18255 1 . MET 9 9 18255 1 . GLY 10 10 18255 1 . THR 11 11 18255 1 . LEU 12 12 18255 1 . GLU 13 13 18255 1 . ALA 14 14 18255 1 . GLN 15 15 18255 1 . THR 16 16 18255 1 . GLN 17 17 18255 1 . GLY 18 18 18255 1 . PRO 19 19 18255 1 . GLY 20 20 18255 1 . SER 21 21 18255 1 . MET 22 22 18255 1 . ASP 23 23 18255 1 . ASP 24 24 18255 1 . GLU 25 25 18255 1 . LEU 26 26 18255 1 . TYR 27 27 18255 1 . PHE 28 28 18255 1 . VAL 29 29 18255 1 . VAL 30 30 18255 1 . ARG 31 31 18255 1 . ASN 32 32 18255 1 . ASN 33 33 18255 1 . GLU 34 34 18255 1 . GLY 35 35 18255 1 . GLN 36 36 18255 1 . TYR 37 37 18255 1 . SER 38 38 18255 1 . VAL 39 39 18255 1 . TRP 40 40 18255 1 . MET 41 41 18255 1 . ASP 42 42 18255 1 . GLY 43 43 18255 1 . ARG 44 44 18255 1 . SER 45 45 18255 1 . LEU 46 46 18255 1 . PRO 47 47 18255 1 . ALA 48 48 18255 1 . GLY 49 49 18255 1 . TRP 50 50 18255 1 . GLU 51 51 18255 1 . THR 52 52 18255 1 . VAL 53 53 18255 1 . GLY 54 54 18255 1 . GLU 55 55 18255 1 . PRO 56 56 18255 1 . ALA 57 57 18255 1 . THR 58 58 18255 1 . LYS 59 59 18255 1 . GLN 60 60 18255 1 . GLN 61 61 18255 1 . CYS 62 62 18255 1 . LEU 63 63 18255 1 . GLN 64 64 18255 1 . ARG 65 65 18255 1 . ILE 66 66 18255 1 . GLU 67 67 18255 1 . GLN 68 68 18255 1 . LEU 69 69 18255 1 . TRP 70 70 18255 1 . THR 71 71 18255 1 . ASP 72 72 18255 1 . MET 73 73 18255 1 . VAL 74 74 18255 1 . PRO 75 75 18255 1 . ALA 76 76 18255 1 . SER 77 77 18255 1 . VAL 78 78 18255 1 . ARG 79 79 18255 1 . GLU 80 80 18255 1 . HIS 81 81 18255 1 . LEU 82 82 18255 1 . ASN 83 83 18255 1 . GLN 84 84 18255 1 . HIS 85 85 18255 1 . SER 86 86 18255 1 . GLY 87 87 18255 1 . PRO 88 88 18255 1 . GLY 89 89 18255 1 . ILE 90 90 18255 1 . ASP 91 91 18255 1 . TYR 92 92 18255 1 . ALA 93 93 18255 1 . VAL 94 94 18255 1 . ARG 95 95 18255 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 18255 _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 $MbtH . 28450 organism . 'Burkholderia pseudomallei' 'Burkholderia pseudomallei' . . Bacteria . Burkholderia pseudomallei 1710b . . . . . . . . . . BURPS1710b_2147 . 18255 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 18255 _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 $MbtH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . AVA0421 . . . 18255 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18255 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MbtH '[U-99% 13C; U-99% 15N]' . . 1 $MbtH . . 1.0 . . mM 0.2 . . . 18255 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18255 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 18255 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18255 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18255 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18255 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18255 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 MbtH '[U-99% 15N]' . . 1 $MbtH . . 1.0 . . mM 0.2 . . . 18255 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18255 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 18255 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18255 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18255 2 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 18255 _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' 0.12 0.1 M 18255 1 pH 7 0.2 pH 18255 1 pressure 1 . atm 18255 1 temperature 293 1 K 18255 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18255 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18255 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 18255 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18255 _Software.ID 2 _Software.Type . _Software.Name FELIX _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18255 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18255 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18255 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18255 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 18255 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18255 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18255 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 18255 4 . 'peak picking' 18255 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18255 _Software.ID 5 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18255 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 18255 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18255 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18255 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18255 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18255 _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 spectrometer_1 Varian VNMRS . 800 . . . 18255 1 2 spectrometer_2 Varian VNMRS . 750 . . . 18255 1 3 spectrometer_3 Varian INOVA . 600 . . . 18255 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 18255 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18255 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18255 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18255 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18255 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18255 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18255 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18255 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18255 1 9 'deuterium exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18255 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18255 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18255 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18255 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18255 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18255 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D 1H-13C NOESY aliphatic' . . . 18255 1 3 '3D 1H-13C NOESY aromatic' . . . 18255 1 4 '3D 1H-15N NOESY' . . . 18255 1 7 '3D HNCO' . . . 18255 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 ALA HA H 1 3.96 0.02 . 1 . . . . A 2 ALA HA . 18255 1 2 . 1 1 2 2 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 2 ALA HB1 . 18255 1 3 . 1 1 2 2 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 2 ALA HB2 . 18255 1 4 . 1 1 2 2 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 2 ALA HB3 . 18255 1 5 . 1 1 2 2 ALA CA C 13 51.7 0.2 . 1 . . . . A 2 ALA CA . 18255 1 6 . 1 1 2 2 ALA CB C 13 19.7 0.2 . 1 . . . . A 2 ALA CB . 18255 1 7 . 1 1 8 8 HIS C C 13 175.2 0.2 . 1 . . . . A 8 HIS C . 18255 1 8 . 1 1 8 8 HIS CA C 13 56.6 0.2 . 1 . . . . A 8 HIS CA . 18255 1 9 . 1 1 8 8 HIS CB C 13 30.8 0.2 . 1 . . . . A 8 HIS CB . 18255 1 10 . 1 1 9 9 MET H H 1 8.47 0.02 . 1 . . . . A 9 MET H . 18255 1 11 . 1 1 9 9 MET C C 13 176.4 0.2 . 1 . . . . A 9 MET C . 18255 1 12 . 1 1 9 9 MET CA C 13 55.8 0.2 . 1 . . . . A 9 MET CA . 18255 1 13 . 1 1 9 9 MET CB C 13 32.8 0.2 . 1 . . . . A 9 MET CB . 18255 1 14 . 1 1 9 9 MET CG C 13 32.1 0.2 . 1 . . . . A 9 MET CG . 18255 1 15 . 1 1 9 9 MET N N 15 121.8 0.2 . 1 . . . . A 9 MET N . 18255 1 16 . 1 1 10 10 GLY H H 1 8.49 0.02 . 1 . . . . A 10 GLY H . 18255 1 17 . 1 1 10 10 GLY HA2 H 1 4.00 0.02 . 2 . . . . A 10 GLY HA2 . 18255 1 18 . 1 1 10 10 GLY HA3 H 1 4.00 0.02 . 2 . . . . A 10 GLY HA3 . 18255 1 19 . 1 1 10 10 GLY C C 13 174.1 0.2 . 1 . . . . A 10 GLY C . 18255 1 20 . 1 1 10 10 GLY CA C 13 45.3 0.2 . 1 . . . . A 10 GLY CA . 18255 1 21 . 1 1 10 10 GLY N N 15 109.8 0.2 . 1 . . . . A 10 GLY N . 18255 1 22 . 1 1 11 11 THR H H 1 8.10 0.02 . 1 . . . . A 11 THR H . 18255 1 23 . 1 1 11 11 THR HA H 1 3.71 0.02 . 1 . . . . A 11 THR HA . 18255 1 24 . 1 1 11 11 THR C C 13 174.6 0.2 . 1 . . . . A 11 THR C . 18255 1 25 . 1 1 11 11 THR CA C 13 62.4 0.2 . 1 . . . . A 11 THR CA . 18255 1 26 . 1 1 11 11 THR CB C 13 70.1 0.2 . 1 . . . . A 11 THR CB . 18255 1 27 . 1 1 11 11 THR CG2 C 13 21.8 0.2 . 1 . . . . A 11 THR CG2 . 18255 1 28 . 1 1 11 11 THR N N 15 113.6 0.2 . 1 . . . . A 11 THR N . 18255 1 29 . 1 1 12 12 LEU H H 1 8.35 0.02 . 1 . . . . A 12 LEU H . 18255 1 30 . 1 1 12 12 LEU HA H 1 4.30 0.02 . 1 . . . . A 12 LEU HA . 18255 1 31 . 1 1 12 12 LEU HB2 H 1 1.60 0.02 . 2 . . . . A 12 LEU HB2 . 18255 1 32 . 1 1 12 12 LEU HB3 H 1 1.56 0.02 . 2 . . . . A 12 LEU HB3 . 18255 1 33 . 1 1 12 12 LEU HD11 H 1 0.81 0.2 . 2 . . . . A 12 LEU HD11 . 18255 1 34 . 1 1 12 12 LEU HD12 H 1 0.81 0.2 . 2 . . . . A 12 LEU HD12 . 18255 1 35 . 1 1 12 12 LEU HD13 H 1 0.81 0.2 . 2 . . . . A 12 LEU HD13 . 18255 1 36 . 1 1 12 12 LEU HD21 H 1 0.82 0.2 . 2 . . . . A 12 LEU HD21 . 18255 1 37 . 1 1 12 12 LEU HD22 H 1 0.82 0.2 . 2 . . . . A 12 LEU HD22 . 18255 1 38 . 1 1 12 12 LEU HD23 H 1 0.82 0.2 . 2 . . . . A 12 LEU HD23 . 18255 1 39 . 1 1 12 12 LEU C C 13 177.4 0.2 . 1 . . . . A 12 LEU C . 18255 1 40 . 1 1 12 12 LEU CA C 13 55.6 0.2 . 1 . . . . A 12 LEU CA . 18255 1 41 . 1 1 12 12 LEU CB C 13 42.1 0.2 . 1 . . . . A 12 LEU CB . 18255 1 42 . 1 1 12 12 LEU CD1 C 13 24.7 0.2 . 2 . . . . A 12 LEU CD1 . 18255 1 43 . 1 1 12 12 LEU CD2 C 13 23.3 0.2 . 2 . . . . A 12 LEU CD2 . 18255 1 44 . 1 1 12 12 LEU N N 15 123.9 0.2 . 1 . . . . A 12 LEU N . 18255 1 45 . 1 1 13 13 GLU H H 1 8.42 0.02 . 1 . . . . A 13 GLU H . 18255 1 46 . 1 1 13 13 GLU HA H 1 4.19 0.02 . 1 . . . . A 13 GLU HA . 18255 1 47 . 1 1 13 13 GLU HG2 H 1 2.39 0.02 . 2 . . . . A 13 GLU HG2 . 18255 1 48 . 1 1 13 13 GLU HG3 H 1 2.39 0.02 . 2 . . . . A 13 GLU HG3 . 18255 1 49 . 1 1 13 13 GLU C C 13 176.2 0.2 . 1 . . . . A 13 GLU C . 18255 1 50 . 1 1 13 13 GLU CA C 13 56.9 0.2 . 1 . . . . A 13 GLU CA . 18255 1 51 . 1 1 13 13 GLU CB C 13 30.0 0.2 . 1 . . . . A 13 GLU CB . 18255 1 52 . 1 1 13 13 GLU CG C 13 36.4 0.2 . 1 . . . . A 13 GLU CG . 18255 1 53 . 1 1 13 13 GLU N N 15 121.3 0.2 . 1 . . . . A 13 GLU N . 18255 1 54 . 1 1 14 14 ALA H H 1 8.26 0.02 . 1 . . . . A 14 ALA H . 18255 1 55 . 1 1 14 14 ALA HA H 1 4.26 0.02 . 1 . . . . A 14 ALA HA . 18255 1 56 . 1 1 14 14 ALA HB1 H 1 1.37 0.02 . 1 . . . . A 14 ALA HB1 . 18255 1 57 . 1 1 14 14 ALA HB2 H 1 1.37 0.02 . 1 . . . . A 14 ALA HB2 . 18255 1 58 . 1 1 14 14 ALA HB3 H 1 1.37 0.02 . 1 . . . . A 14 ALA HB3 . 18255 1 59 . 1 1 14 14 ALA C C 13 177.7 0.2 . 1 . . . . A 14 ALA C . 18255 1 60 . 1 1 14 14 ALA CA C 13 52.7 0.2 . 1 . . . . A 14 ALA CA . 18255 1 61 . 1 1 14 14 ALA CB C 13 19.1 0.2 . 1 . . . . A 14 ALA CB . 18255 1 62 . 1 1 14 14 ALA N N 15 124.1 0.2 . 1 . . . . A 14 ALA N . 18255 1 63 . 1 1 15 15 GLN H H 1 8.34 0.02 . 1 . . . . A 15 GLN H . 18255 1 64 . 1 1 15 15 GLN HA H 1 4.36 0.02 . 1 . . . . A 15 GLN HA . 18255 1 65 . 1 1 15 15 GLN HB2 H 1 2.13 0.02 . 2 . . . . A 15 GLN HB2 . 18255 1 66 . 1 1 15 15 GLN HB3 H 1 2.00 0.02 . 2 . . . . A 15 GLN HB3 . 18255 1 67 . 1 1 15 15 GLN HG2 H 1 2.38 0.02 . 2 . . . . A 15 GLN HG2 . 18255 1 68 . 1 1 15 15 GLN HG3 H 1 2.38 0.02 . 2 . . . . A 15 GLN HG3 . 18255 1 69 . 1 1 15 15 GLN C C 13 176.2 0.2 . 1 . . . . A 15 GLN C . 18255 1 70 . 1 1 15 15 GLN CA C 13 55.9 0.2 . 1 . . . . A 15 GLN CA . 18255 1 71 . 1 1 15 15 GLN CB C 13 29.3 0.2 . 1 . . . . A 15 GLN CB . 18255 1 72 . 1 1 15 15 GLN CG C 13 33.8 0.2 . 1 . . . . A 15 GLN CG . 18255 1 73 . 1 1 15 15 GLN N N 15 119.1 0.2 . 1 . . . . A 15 GLN N . 18255 1 74 . 1 1 16 16 THR H H 1 8.16 0.02 . 1 . . . . A 16 THR H . 18255 1 75 . 1 1 16 16 THR HA H 1 4.32 0.02 . 1 . . . . A 16 THR HA . 18255 1 76 . 1 1 16 16 THR HB H 1 4.24 0.02 . 1 . . . . A 16 THR HB . 18255 1 77 . 1 1 16 16 THR HG21 H 1 1.18 0.02 . 1 . . . . A 16 THR HG21 . 18255 1 78 . 1 1 16 16 THR HG22 H 1 1.18 0.02 . 1 . . . . A 16 THR HG22 . 18255 1 79 . 1 1 16 16 THR HG23 H 1 1.18 0.02 . 1 . . . . A 16 THR HG23 . 18255 1 80 . 1 1 16 16 THR C C 13 174.3 0.2 . 1 . . . . A 16 THR C . 18255 1 81 . 1 1 16 16 THR CA C 13 61.9 0.2 . 1 . . . . A 16 THR CA . 18255 1 82 . 1 1 16 16 THR CB C 13 69.7 0.2 . 1 . . . . A 16 THR CB . 18255 1 83 . 1 1 16 16 THR CG2 C 13 21.7 0.2 . 1 . . . . A 16 THR CG2 . 18255 1 84 . 1 1 16 16 THR N N 15 114.6 0.2 . 1 . . . . A 16 THR N . 18255 1 85 . 1 1 17 17 GLN H H 1 8.41 0.02 . 1 . . . . A 17 GLN H . 18255 1 86 . 1 1 17 17 GLN C C 13 175.8 0.2 . 1 . . . . A 17 GLN C . 18255 1 87 . 1 1 17 17 GLN CA C 13 55.9 0.2 . 1 . . . . A 17 GLN CA . 18255 1 88 . 1 1 17 17 GLN CB C 13 29.6 0.2 . 1 . . . . A 17 GLN CB . 18255 1 89 . 1 1 17 17 GLN CG C 13 33.9 0.2 . 1 . . . . A 17 GLN CG . 18255 1 90 . 1 1 17 17 GLN N N 15 122.2 0.2 . 1 . . . . A 17 GLN N . 18255 1 91 . 1 1 18 18 GLY H H 1 8.34 0.02 . 1 . . . . A 18 GLY H . 18255 1 92 . 1 1 18 18 GLY HA2 H 1 4.10 0.02 . 2 . . . . A 18 GLY HA2 . 18255 1 93 . 1 1 18 18 GLY HA3 H 1 4.10 0.02 . 2 . . . . A 18 GLY HA3 . 18255 1 94 . 1 1 18 18 GLY CA C 13 44.6 0.2 . 1 . . . . A 18 GLY CA . 18255 1 95 . 1 1 18 18 GLY N N 15 110.1 0.2 . 1 . . . . A 18 GLY N . 18255 1 96 . 1 1 19 19 PRO HA H 1 4.43 0.02 . 1 . . . . A 19 PRO HA . 18255 1 97 . 1 1 19 19 PRO HB2 H 1 2.26 0.02 . 2 . . . . A 19 PRO HB2 . 18255 1 98 . 1 1 19 19 PRO HB3 H 1 2.00 0.02 . 2 . . . . A 19 PRO HB3 . 18255 1 99 . 1 1 19 19 PRO HG2 H 1 2.01 0.02 . 1 . . . . A 19 PRO HG2 . 18255 1 100 . 1 1 19 19 PRO HG3 H 1 2.01 0.02 . 1 . . . . A 19 PRO HG3 . 18255 1 101 . 1 1 19 19 PRO HD2 H 1 3.62 0.02 . 2 . . . . A 19 PRO HD2 . 18255 1 102 . 1 1 19 19 PRO HD3 H 1 3.62 0.02 . 2 . . . . A 19 PRO HD3 . 18255 1 103 . 1 1 19 19 PRO C C 13 177.5 0.2 . 1 . . . . A 19 PRO C . 18255 1 104 . 1 1 19 19 PRO CA C 13 63.5 0.2 . 1 . . . . A 19 PRO CA . 18255 1 105 . 1 1 19 19 PRO CB C 13 32.1 0.2 . 1 . . . . A 19 PRO CB . 18255 1 106 . 1 1 19 19 PRO CG C 13 27.1 0.2 . 1 . . . . A 19 PRO CG . 18255 1 107 . 1 1 19 19 PRO CD C 13 49.7 0.2 . 1 . . . . A 19 PRO CD . 18255 1 108 . 1 1 20 20 GLY H H 1 8.62 0.02 . 1 . . . . A 20 GLY H . 18255 1 109 . 1 1 20 20 GLY HA2 H 1 3.98 0.02 . 2 . . . . A 20 GLY HA2 . 18255 1 110 . 1 1 20 20 GLY HA3 H 1 3.98 0.02 . 2 . . . . A 20 GLY HA3 . 18255 1 111 . 1 1 20 20 GLY C C 13 174.0 0.2 . 1 . . . . A 20 GLY C . 18255 1 112 . 1 1 20 20 GLY CA C 13 45.2 0.2 . 1 . . . . A 20 GLY CA . 18255 1 113 . 1 1 20 20 GLY N N 15 109.6 0.2 . 1 . . . . A 20 GLY N . 18255 1 114 . 1 1 21 21 SER H H 1 8.24 0.02 . 1 . . . . A 21 SER H . 18255 1 115 . 1 1 21 21 SER HA H 1 4.46 0.02 . 1 . . . . A 21 SER HA . 18255 1 116 . 1 1 21 21 SER HB2 H 1 3.89 0.02 . 2 . . . . A 21 SER HB2 . 18255 1 117 . 1 1 21 21 SER HB3 H 1 3.89 0.02 . 2 . . . . A 21 SER HB3 . 18255 1 118 . 1 1 21 21 SER C C 13 174.7 0.2 . 1 . . . . A 21 SER C . 18255 1 119 . 1 1 21 21 SER CA C 13 58.4 0.2 . 1 . . . . A 21 SER CA . 18255 1 120 . 1 1 21 21 SER CB C 13 64.0 0.2 . 1 . . . . A 21 SER CB . 18255 1 121 . 1 1 21 21 SER N N 15 115.3 0.2 . 1 . . . . A 21 SER N . 18255 1 122 . 1 1 22 22 MET H H 1 8.57 0.02 . 1 . . . . A 22 MET H . 18255 1 123 . 1 1 22 22 MET HA H 1 4.53 0.02 . 1 . . . . A 22 MET HA . 18255 1 124 . 1 1 22 22 MET HB2 H 1 2.14 0.02 . 2 . . . . A 22 MET HB2 . 18255 1 125 . 1 1 22 22 MET HB3 H 1 2.01 0.02 . 2 . . . . A 22 MET HB3 . 18255 1 126 . 1 1 22 22 MET HG2 H 1 2.60 0.02 . 2 . . . . A 22 MET HG2 . 18255 1 127 . 1 1 22 22 MET HG3 H 1 2.52 0.02 . 2 . . . . A 22 MET HG3 . 18255 1 128 . 1 1 22 22 MET C C 13 176.0 0.2 . 1 . . . . A 22 MET C . 18255 1 129 . 1 1 22 22 MET CA C 13 55.7 0.2 . 1 . . . . A 22 MET CA . 18255 1 130 . 1 1 22 22 MET CB C 13 32.6 0.2 . 1 . . . . A 22 MET CB . 18255 1 131 . 1 1 22 22 MET CG C 13 32.1 0.2 . 1 . . . . A 22 MET CG . 18255 1 132 . 1 1 22 22 MET N N 15 122.0 0.2 . 1 . . . . A 22 MET N . 18255 1 133 . 1 1 23 23 ASP H H 1 8.33 0.02 . 1 . . . . A 23 ASP H . 18255 1 134 . 1 1 23 23 ASP HA H 1 4.63 0.02 . 1 . . . . A 23 ASP HA . 18255 1 135 . 1 1 23 23 ASP HB2 H 1 2.77 0.02 . 2 . . . . A 23 ASP HB2 . 18255 1 136 . 1 1 23 23 ASP HB3 H 1 2.59 0.02 . 2 . . . . A 23 ASP HB3 . 18255 1 137 . 1 1 23 23 ASP C C 13 175.7 0.2 . 1 . . . . A 23 ASP C . 18255 1 138 . 1 1 23 23 ASP CA C 13 54.8 0.2 . 1 . . . . A 23 ASP CA . 18255 1 139 . 1 1 23 23 ASP CB C 13 41.0 0.2 . 1 . . . . A 23 ASP CB . 18255 1 140 . 1 1 23 23 ASP N N 15 120.6 0.2 . 1 . . . . A 23 ASP N . 18255 1 141 . 1 1 24 24 ASP H H 1 8.25 0.02 . 1 . . . . A 24 ASP H . 18255 1 142 . 1 1 24 24 ASP HA H 1 4.66 0.02 . 1 . . . . A 24 ASP HA . 18255 1 143 . 1 1 24 24 ASP HB2 H 1 2.68 0.02 . 2 . . . . A 24 ASP HB2 . 18255 1 144 . 1 1 24 24 ASP HB3 H 1 2.62 0.02 . 2 . . . . A 24 ASP HB3 . 18255 1 145 . 1 1 24 24 ASP C C 13 175.8 0.2 . 1 . . . . A 24 ASP C . 18255 1 146 . 1 1 24 24 ASP CA C 13 54.1 0.2 . 1 . . . . A 24 ASP CA . 18255 1 147 . 1 1 24 24 ASP CB C 13 41.3 0.2 . 1 . . . . A 24 ASP CB . 18255 1 148 . 1 1 24 24 ASP N N 15 119.8 0.2 . 1 . . . . A 24 ASP N . 18255 1 149 . 1 1 25 25 GLU H H 1 8.19 0.02 . 1 . . . . A 25 GLU H . 18255 1 150 . 1 1 25 25 GLU HA H 1 4.22 0.02 . 1 . . . . A 25 GLU HA . 18255 1 151 . 1 1 25 25 GLU HB2 H 1 1.99 0.02 . 2 . . . . A 25 GLU HB2 . 18255 1 152 . 1 1 25 25 GLU HB3 H 1 1.99 0.02 . 2 . . . . A 25 GLU HB3 . 18255 1 153 . 1 1 25 25 GLU HG2 H 1 2.36 0.02 . 2 . . . . A 25 GLU HG2 . 18255 1 154 . 1 1 25 25 GLU HG3 H 1 2.27 0.02 . 2 . . . . A 25 GLU HG3 . 18255 1 155 . 1 1 25 25 GLU C C 13 175.2 0.2 . 1 . . . . A 25 GLU C . 18255 1 156 . 1 1 25 25 GLU CA C 13 56.4 0.2 . 1 . . . . A 25 GLU CA . 18255 1 157 . 1 1 25 25 GLU CB C 13 30.5 0.2 . 1 . . . . A 25 GLU CB . 18255 1 158 . 1 1 25 25 GLU CG C 13 36.4 0.2 . 1 . . . . A 25 GLU CG . 18255 1 159 . 1 1 25 25 GLU N N 15 120.6 0.2 . 1 . . . . A 25 GLU N . 18255 1 160 . 1 1 26 26 LEU H H 1 8.27 0.02 . 1 . . . . A 26 LEU H . 18255 1 161 . 1 1 26 26 LEU HA H 1 4.54 0.02 . 1 . . . . A 26 LEU HA . 18255 1 162 . 1 1 26 26 LEU HB2 H 1 1.63 0.02 . 2 . . . . A 26 LEU HB2 . 18255 1 163 . 1 1 26 26 LEU HB3 H 1 1.12 0.02 . 2 . . . . A 26 LEU HB3 . 18255 1 164 . 1 1 26 26 LEU HG H 1 0.74 0.02 . 1 . . . . A 26 LEU HG . 18255 1 165 . 1 1 26 26 LEU HD11 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD11 . 18255 1 166 . 1 1 26 26 LEU HD12 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD12 . 18255 1 167 . 1 1 26 26 LEU HD13 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD13 . 18255 1 168 . 1 1 26 26 LEU HD21 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD21 . 18255 1 169 . 1 1 26 26 LEU HD22 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD22 . 18255 1 170 . 1 1 26 26 LEU HD23 H 1 0.63 0.02 . 2 . . . . A 26 LEU HD23 . 18255 1 171 . 1 1 26 26 LEU C C 13 175.2 0.2 . 1 . . . . A 26 LEU C . 18255 1 172 . 1 1 26 26 LEU CA C 13 54.0 0.2 . 1 . . . . A 26 LEU CA . 18255 1 173 . 1 1 26 26 LEU CB C 13 43.7 0.2 . 1 . . . . A 26 LEU CB . 18255 1 174 . 1 1 26 26 LEU CG C 13 25.4 0.2 . 1 . . . . A 26 LEU CG . 18255 1 175 . 1 1 26 26 LEU CD1 C 13 22.4 0.2 . 2 . . . . A 26 LEU CD1 . 18255 1 176 . 1 1 26 26 LEU CD2 C 13 22.4 0.2 . 2 . . . . A 26 LEU CD2 . 18255 1 177 . 1 1 26 26 LEU N N 15 121.5 0.2 . 1 . . . . A 26 LEU N . 18255 1 178 . 1 1 27 27 TYR H H 1 9.25 0.02 . 1 . . . . A 27 TYR H . 18255 1 179 . 1 1 27 27 TYR HA H 1 4.97 0.02 . 1 . . . . A 27 TYR HA . 18255 1 180 . 1 1 27 27 TYR HB2 H 1 2.84 0.02 . 2 . . . . A 27 TYR HB2 . 18255 1 181 . 1 1 27 27 TYR HB3 H 1 2.72 0.02 . 2 . . . . A 27 TYR HB3 . 18255 1 182 . 1 1 27 27 TYR HD1 H 1 6.97 0.02 . 3 . . . . A 27 TYR HD1 . 18255 1 183 . 1 1 27 27 TYR HD2 H 1 6.97 0.02 . 3 . . . . A 27 TYR HD2 . 18255 1 184 . 1 1 27 27 TYR HE1 H 1 6.77 0.02 . 3 . . . . A 27 TYR HE1 . 18255 1 185 . 1 1 27 27 TYR HE2 H 1 6.77 0.02 . 3 . . . . A 27 TYR HE2 . 18255 1 186 . 1 1 27 27 TYR C C 13 173.1 0.2 . 1 . . . . A 27 TYR C . 18255 1 187 . 1 1 27 27 TYR CA C 13 56.7 0.2 . 1 . . . . A 27 TYR CA . 18255 1 188 . 1 1 27 27 TYR CB C 13 43.9 0.2 . 1 . . . . A 27 TYR CB . 18255 1 189 . 1 1 27 27 TYR CD1 C 13 133.2 0.2 . 3 . . . . A 27 TYR CD1 . 18255 1 190 . 1 1 27 27 TYR CD2 C 13 133.2 0.2 . 3 . . . . A 27 TYR CD2 . 18255 1 191 . 1 1 27 27 TYR CE1 C 13 118.2 0.2 . 3 . . . . A 27 TYR CE1 . 18255 1 192 . 1 1 27 27 TYR CE2 C 13 118.2 0.2 . 3 . . . . A 27 TYR CE2 . 18255 1 193 . 1 1 27 27 TYR N N 15 119.4 0.2 . 1 . . . . A 27 TYR N . 18255 1 194 . 1 1 28 28 PHE H H 1 9.51 0.02 . 1 . . . . A 28 PHE H . 18255 1 195 . 1 1 28 28 PHE HA H 1 5.07 0.02 . 1 . . . . A 28 PHE HA . 18255 1 196 . 1 1 28 28 PHE HB2 H 1 3.22 0.02 . 2 . . . . A 28 PHE HB2 . 18255 1 197 . 1 1 28 28 PHE HB3 H 1 2.62 0.02 . 2 . . . . A 28 PHE HB3 . 18255 1 198 . 1 1 28 28 PHE HD1 H 1 7.24 0.02 . 3 . . . . A 28 PHE HD1 . 18255 1 199 . 1 1 28 28 PHE HD2 H 1 7.24 0.02 . 3 . . . . A 28 PHE HD2 . 18255 1 200 . 1 1 28 28 PHE HE1 H 1 7.55 0.02 . 3 . . . . A 28 PHE HE1 . 18255 1 201 . 1 1 28 28 PHE HE2 H 1 7.55 0.02 . 3 . . . . A 28 PHE HE2 . 18255 1 202 . 1 1 28 28 PHE HZ H 1 7.38 0.02 . 1 . . . . A 28 PHE HZ . 18255 1 203 . 1 1 28 28 PHE C C 13 178.1 0.2 . 1 . . . . A 28 PHE C . 18255 1 204 . 1 1 28 28 PHE CA C 13 57.1 0.2 . 1 . . . . A 28 PHE CA . 18255 1 205 . 1 1 28 28 PHE CB C 13 42.5 0.2 . 1 . . . . A 28 PHE CB . 18255 1 206 . 1 1 28 28 PHE CD1 C 13 131.6 0.2 . 3 . . . . A 28 PHE CD1 . 18255 1 207 . 1 1 28 28 PHE CD2 C 13 131.6 0.2 . 3 . . . . A 28 PHE CD2 . 18255 1 208 . 1 1 28 28 PHE CE1 C 13 131.6 0.2 . 3 . . . . A 28 PHE CE1 . 18255 1 209 . 1 1 28 28 PHE CE2 C 13 131.6 0.2 . 3 . . . . A 28 PHE CE2 . 18255 1 210 . 1 1 28 28 PHE CZ C 13 129.7 0.2 . 1 . . . . A 28 PHE CZ . 18255 1 211 . 1 1 28 28 PHE N N 15 114.7 0.2 . 1 . . . . A 28 PHE N . 18255 1 212 . 1 1 29 29 VAL H H 1 9.11 0.02 . 1 . . . . A 29 VAL H . 18255 1 213 . 1 1 29 29 VAL HA H 1 4.48 0.02 . 1 . . . . A 29 VAL HA . 18255 1 214 . 1 1 29 29 VAL HB H 1 2.37 0.02 . 1 . . . . A 29 VAL HB . 18255 1 215 . 1 1 29 29 VAL HG11 H 1 1.17 0.02 . 2 . . . . A 29 VAL HG11 . 18255 1 216 . 1 1 29 29 VAL HG12 H 1 1.17 0.02 . 2 . . . . A 29 VAL HG12 . 18255 1 217 . 1 1 29 29 VAL HG13 H 1 1.17 0.02 . 2 . . . . A 29 VAL HG13 . 18255 1 218 . 1 1 29 29 VAL HG21 H 1 1.05 0.02 . 2 . . . . A 29 VAL HG21 . 18255 1 219 . 1 1 29 29 VAL HG22 H 1 1.05 0.02 . 2 . . . . A 29 VAL HG22 . 18255 1 220 . 1 1 29 29 VAL HG23 H 1 1.05 0.02 . 2 . . . . A 29 VAL HG23 . 18255 1 221 . 1 1 29 29 VAL C C 13 175.2 0.2 . 1 . . . . A 29 VAL C . 18255 1 222 . 1 1 29 29 VAL CA C 13 64.0 0.2 . 1 . . . . A 29 VAL CA . 18255 1 223 . 1 1 29 29 VAL CB C 13 31.9 0.2 . 1 . . . . A 29 VAL CB . 18255 1 224 . 1 1 29 29 VAL CG1 C 13 23.3 0.2 . 2 . . . . A 29 VAL CG1 . 18255 1 225 . 1 1 29 29 VAL CG2 C 13 22.2 0.2 . 2 . . . . A 29 VAL CG2 . 18255 1 226 . 1 1 29 29 VAL N N 15 121.1 0.2 . 1 . . . . A 29 VAL N . 18255 1 227 . 1 1 30 30 VAL H H 1 8.89 0.02 . 1 . . . . A 30 VAL H . 18255 1 228 . 1 1 30 30 VAL HA H 1 5.55 0.02 . 1 . . . . A 30 VAL HA . 18255 1 229 . 1 1 30 30 VAL HB H 1 2.04 0.02 . 1 . . . . A 30 VAL HB . 18255 1 230 . 1 1 30 30 VAL HG11 H 1 0.78 0.02 . 2 . . . . A 30 VAL HG11 . 18255 1 231 . 1 1 30 30 VAL HG12 H 1 0.78 0.02 . 2 . . . . A 30 VAL HG12 . 18255 1 232 . 1 1 30 30 VAL HG13 H 1 0.78 0.02 . 2 . . . . A 30 VAL HG13 . 18255 1 233 . 1 1 30 30 VAL HG21 H 1 0.59 0.02 . 2 . . . . A 30 VAL HG21 . 18255 1 234 . 1 1 30 30 VAL HG22 H 1 0.59 0.02 . 2 . . . . A 30 VAL HG22 . 18255 1 235 . 1 1 30 30 VAL HG23 H 1 0.59 0.02 . 2 . . . . A 30 VAL HG23 . 18255 1 236 . 1 1 30 30 VAL C C 13 173.8 0.2 . 1 . . . . A 30 VAL C . 18255 1 237 . 1 1 30 30 VAL CA C 13 58.0 0.2 . 1 . . . . A 30 VAL CA . 18255 1 238 . 1 1 30 30 VAL CB C 13 36.1 0.2 . 1 . . . . A 30 VAL CB . 18255 1 239 . 1 1 30 30 VAL CG1 C 13 23.5 0.2 . 2 . . . . A 30 VAL CG1 . 18255 1 240 . 1 1 30 30 VAL CG2 C 13 20.2 0.2 . 2 . . . . A 30 VAL CG2 . 18255 1 241 . 1 1 30 30 VAL N N 15 119.8 0.2 . 1 . . . . A 30 VAL N . 18255 1 242 . 1 1 31 31 ARG H H 1 8.98 0.02 . 1 . . . . A 31 ARG H . 18255 1 243 . 1 1 31 31 ARG HA H 1 5.19 0.02 . 1 . . . . A 31 ARG HA . 18255 1 244 . 1 1 31 31 ARG HB2 H 1 1.24 0.02 . 2 . . . . A 31 ARG HB2 . 18255 1 245 . 1 1 31 31 ARG HB3 H 1 1.15 0.02 . 2 . . . . A 31 ARG HB3 . 18255 1 246 . 1 1 31 31 ARG HG2 H 1 1.37 0.02 . 2 . . . . A 31 ARG HG2 . 18255 1 247 . 1 1 31 31 ARG HG3 H 1 0.69 0.02 . 2 . . . . A 31 ARG HG3 . 18255 1 248 . 1 1 31 31 ARG HD2 H 1 2.85 0.02 . 2 . . . . A 31 ARG HD2 . 18255 1 249 . 1 1 31 31 ARG HD3 H 1 2.85 0.02 . 2 . . . . A 31 ARG HD3 . 18255 1 250 . 1 1 31 31 ARG CA C 13 53.5 0.2 . 1 . . . . A 31 ARG CA . 18255 1 251 . 1 1 31 31 ARG CB C 13 34.1 0.2 . 1 . . . . A 31 ARG CB . 18255 1 252 . 1 1 31 31 ARG CG C 13 26.3 0.2 . 1 . . . . A 31 ARG CG . 18255 1 253 . 1 1 31 31 ARG CD C 13 43.6 0.2 . 1 . . . . A 31 ARG CD . 18255 1 254 . 1 1 31 31 ARG N N 15 119.7 0.2 . 1 . . . . A 31 ARG N . 18255 1 255 . 1 1 32 32 ASN HA H 1 4.24 0.02 . 1 . . . . A 32 ASN HA . 18255 1 256 . 1 1 32 32 ASN HB2 H 1 2.12 0.02 . 2 . . . . A 32 ASN HB2 . 18255 1 257 . 1 1 32 32 ASN HB3 H 1 0.20 0.02 . 2 . . . . A 32 ASN HB3 . 18255 1 258 . 1 1 32 32 ASN HD21 H 1 7.07 0.02 . 2 . . . . A 32 ASN HD21 . 18255 1 259 . 1 1 32 32 ASN HD22 H 1 6.40 0.02 . 2 . . . . A 32 ASN HD22 . 18255 1 260 . 1 1 32 32 ASN C C 13 176.6 0.2 . 1 . . . . A 32 ASN C . 18255 1 261 . 1 1 32 32 ASN CA C 13 49.7 0.2 . 1 . . . . A 32 ASN CA . 18255 1 262 . 1 1 32 32 ASN CB C 13 36.7 0.2 . 1 . . . . A 32 ASN CB . 18255 1 263 . 1 1 32 32 ASN ND2 N 15 111.3 0.2 . 1 . . . . A 32 ASN ND2 . 18255 1 264 . 1 1 33 33 ASN H H 1 7.76 0.02 . 1 . . . . A 33 ASN H . 18255 1 265 . 1 1 33 33 ASN HA H 1 4.29 0.02 . 1 . . . . A 33 ASN HA . 18255 1 266 . 1 1 33 33 ASN HB2 H 1 2.77 0.02 . 2 . . . . A 33 ASN HB2 . 18255 1 267 . 1 1 33 33 ASN HB3 H 1 2.68 0.02 . 2 . . . . A 33 ASN HB3 . 18255 1 268 . 1 1 33 33 ASN HD21 H 1 7.64 0.02 . 2 . . . . A 33 ASN HD21 . 18255 1 269 . 1 1 33 33 ASN HD22 H 1 7.00 0.02 . 2 . . . . A 33 ASN HD22 . 18255 1 270 . 1 1 33 33 ASN C C 13 175.6 0.2 . 1 . . . . A 33 ASN C . 18255 1 271 . 1 1 33 33 ASN CA C 13 55.5 0.2 . 1 . . . . A 33 ASN CA . 18255 1 272 . 1 1 33 33 ASN CB C 13 37.8 0.2 . 1 . . . . A 33 ASN CB . 18255 1 273 . 1 1 33 33 ASN N N 15 114.8 0.02 . 1 . . . . A 33 ASN N . 18255 1 274 . 1 1 33 33 ASN ND2 N 15 112.8 0.2 . 1 . . . . A 33 ASN ND2 . 18255 1 275 . 1 1 34 34 GLU H H 1 7.34 0.02 . 1 . . . . A 34 GLU H . 18255 1 276 . 1 1 34 34 GLU HA H 1 4.31 0.02 . 1 . . . . A 34 GLU HA . 18255 1 277 . 1 1 34 34 GLU HB2 H 1 2.16 0.02 . 2 . . . . A 34 GLU HB2 . 18255 1 278 . 1 1 34 34 GLU HB3 H 1 1.73 0.02 . 2 . . . . A 34 GLU HB3 . 18255 1 279 . 1 1 34 34 GLU HG2 H 1 2.14 0.02 . 2 . . . . A 34 GLU HG2 . 18255 1 280 . 1 1 34 34 GLU HG3 H 1 2.07 0.02 . 2 . . . . A 34 GLU HG3 . 18255 1 281 . 1 1 34 34 GLU C C 13 176.2 0.2 . 1 . . . . A 34 GLU C . 18255 1 282 . 1 1 34 34 GLU CA C 13 55.9 0.2 . 1 . . . . A 34 GLU CA . 18255 1 283 . 1 1 34 34 GLU CB C 13 29.5 0.2 . 1 . . . . A 34 GLU CB . 18255 1 284 . 1 1 34 34 GLU CG C 13 36.7 0.2 . 1 . . . . A 34 GLU CG . 18255 1 285 . 1 1 34 34 GLU N N 15 116.9 0.2 . 1 . . . . A 34 GLU N . 18255 1 286 . 1 1 35 35 GLY H H 1 7.72 0.02 . 1 . . . . A 35 GLY H . 18255 1 287 . 1 1 35 35 GLY HA2 H 1 4.06 0.02 . 2 . . . . A 35 GLY HA2 . 18255 1 288 . 1 1 35 35 GLY HA3 H 1 3.26 0.02 . 2 . . . . A 35 GLY HA3 . 18255 1 289 . 1 1 35 35 GLY C C 13 173.4 0.2 . 1 . . . . A 35 GLY C . 18255 1 290 . 1 1 35 35 GLY CA C 13 45.4 0.2 . 1 . . . . A 35 GLY CA . 18255 1 291 . 1 1 35 35 GLY N N 15 107.0 0.2 . 1 . . . . A 35 GLY N . 18255 1 292 . 1 1 36 36 GLN H H 1 7.57 0.02 . 1 . . . . A 36 GLN H . 18255 1 293 . 1 1 36 36 GLN HA H 1 4.28 0.02 . 1 . . . . A 36 GLN HA . 18255 1 294 . 1 1 36 36 GLN HB2 H 1 2.16 0.02 . 2 . . . . A 36 GLN HB2 . 18255 1 295 . 1 1 36 36 GLN HB3 H 1 1.73 0.02 . 2 . . . . A 36 GLN HB3 . 18255 1 296 . 1 1 36 36 GLN CA C 13 54.5 0.2 . 1 . . . . A 36 GLN CA . 18255 1 297 . 1 1 36 36 GLN CB C 13 29.5 0.2 . 1 . . . . A 36 GLN CB . 18255 1 298 . 1 1 36 36 GLN N N 15 117.7 0.2 . 1 . . . . A 36 GLN N . 18255 1 299 . 1 1 37 37 TYR HB2 H 1 2.90 0.02 . 2 . . . . A 37 TYR HB2 . 18255 1 300 . 1 1 37 37 TYR HB3 H 1 2.73 0.02 . 2 . . . . A 37 TYR HB3 . 18255 1 301 . 1 1 37 37 TYR HD1 H 1 6.96 0.02 . 3 . . . . A 37 TYR HD1 . 18255 1 302 . 1 1 37 37 TYR HD2 H 1 6.96 0.02 . 3 . . . . A 37 TYR HD2 . 18255 1 303 . 1 1 37 37 TYR HE1 H 1 6.60 0.02 . 3 . . . . A 37 TYR HE1 . 18255 1 304 . 1 1 37 37 TYR HE2 H 1 6.60 0.02 . 3 . . . . A 37 TYR HE2 . 18255 1 305 . 1 1 37 37 TYR C C 13 176.3 0.2 . 1 . . . . A 37 TYR C . 18255 1 306 . 1 1 37 37 TYR CA C 13 57.5 0.2 . 1 . . . . A 37 TYR CA . 18255 1 307 . 1 1 37 37 TYR CB C 13 42.8 0.2 . 1 . . . . A 37 TYR CB . 18255 1 308 . 1 1 37 37 TYR CD1 C 13 132.9 0.2 . 3 . . . . A 37 TYR CD1 . 18255 1 309 . 1 1 37 37 TYR CD2 C 13 132.9 0.2 . 3 . . . . A 37 TYR CD2 . 18255 1 310 . 1 1 37 37 TYR CE1 C 13 117.6 0.2 . 3 . . . . A 37 TYR CE1 . 18255 1 311 . 1 1 37 37 TYR CE2 C 13 117.6 0.2 . 3 . . . . A 37 TYR CE2 . 18255 1 312 . 1 1 38 38 SER H H 1 9.23 0.02 . 1 . . . . A 38 SER H . 18255 1 313 . 1 1 38 38 SER HA H 1 5.77 0.02 . 1 . . . . A 38 SER HA . 18255 1 314 . 1 1 38 38 SER HB2 H 1 3.90 0.02 . 2 . . . . A 38 SER HB2 . 18255 1 315 . 1 1 38 38 SER HB3 H 1 3.41 0.02 . 2 . . . . A 38 SER HB3 . 18255 1 316 . 1 1 38 38 SER C C 13 173.1 0.2 . 1 . . . . A 38 SER C . 18255 1 317 . 1 1 38 38 SER CA C 13 57.3 0.2 . 1 . . . . A 38 SER CA . 18255 1 318 . 1 1 38 38 SER CB C 13 64.4 0.2 . 1 . . . . A 38 SER CB . 18255 1 319 . 1 1 38 38 SER N N 15 114.7 0.2 . 1 . . . . A 38 SER N . 18255 1 320 . 1 1 39 39 VAL H H 1 8.43 0.02 . 1 . . . . A 39 VAL H . 18255 1 321 . 1 1 39 39 VAL HA H 1 5.70 0.02 . 1 . . . . A 39 VAL HA . 18255 1 322 . 1 1 39 39 VAL HB H 1 2.08 0.02 . 1 . . . . A 39 VAL HB . 18255 1 323 . 1 1 39 39 VAL HG11 H 1 0.91 0.02 . 2 . . . . A 39 VAL HG11 . 18255 1 324 . 1 1 39 39 VAL HG12 H 1 0.91 0.02 . 2 . . . . A 39 VAL HG12 . 18255 1 325 . 1 1 39 39 VAL HG13 H 1 0.91 0.02 . 2 . . . . A 39 VAL HG13 . 18255 1 326 . 1 1 39 39 VAL HG21 H 1 0.82 0.02 . 2 . . . . A 39 VAL HG21 . 18255 1 327 . 1 1 39 39 VAL HG22 H 1 0.82 0.02 . 2 . . . . A 39 VAL HG22 . 18255 1 328 . 1 1 39 39 VAL HG23 H 1 0.82 0.02 . 2 . . . . A 39 VAL HG23 . 18255 1 329 . 1 1 39 39 VAL C C 13 175.2 0.2 . 1 . . . . A 39 VAL C . 18255 1 330 . 1 1 39 39 VAL CA C 13 59.9 0.2 . 1 . . . . A 39 VAL CA . 18255 1 331 . 1 1 39 39 VAL CB C 13 34.8 0.2 . 1 . . . . A 39 VAL CB . 18255 1 332 . 1 1 39 39 VAL CG1 C 13 23.0 0.2 . 2 . . . . A 39 VAL CG1 . 18255 1 333 . 1 1 39 39 VAL CG2 C 13 20.4 0.2 . 2 . . . . A 39 VAL CG2 . 18255 1 334 . 1 1 39 39 VAL N N 15 114.0 0.2 . 1 . . . . A 39 VAL N . 18255 1 335 . 1 1 40 40 TRP H H 1 9.59 0.02 . 1 . . . . A 40 TRP H . 18255 1 336 . 1 1 40 40 TRP HB2 H 1 3.02 0.02 . 2 . . . . A 40 TRP HB2 . 18255 1 337 . 1 1 40 40 TRP HB3 H 1 2.98 0.02 . 2 . . . . A 40 TRP HB3 . 18255 1 338 . 1 1 40 40 TRP HD1 H 1 7.15 0.02 . 1 . . . . A 40 TRP HD1 . 18255 1 339 . 1 1 40 40 TRP HE1 H 1 9.23 0.02 . 1 . . . . A 40 TRP HE1 . 18255 1 340 . 1 1 40 40 TRP HE3 H 1 7.66 0.02 . 1 . . . . A 40 TRP HE3 . 18255 1 341 . 1 1 40 40 TRP HZ2 H 1 7.37 0.02 . 1 . . . . A 40 TRP HZ2 . 18255 1 342 . 1 1 40 40 TRP HH2 H 1 7.06 0.02 . 1 . . . . A 40 TRP HH2 . 18255 1 343 . 1 1 40 40 TRP C C 13 174.0 0.2 . 1 . . . . A 40 TRP C . 18255 1 344 . 1 1 40 40 TRP CA C 13 56.5 0.2 . 1 . . . . A 40 TRP CA . 18255 1 345 . 1 1 40 40 TRP CB C 13 35.7 0.2 . 1 . . . . A 40 TRP CB . 18255 1 346 . 1 1 40 40 TRP CD1 C 13 127.5 0.2 . 1 . . . . A 40 TRP CD1 . 18255 1 347 . 1 1 40 40 TRP CE3 C 13 120.2 0.2 . 1 . . . . A 40 TRP CE3 . 18255 1 348 . 1 1 40 40 TRP CZ2 C 13 114.4 0.2 . 1 . . . . A 40 TRP CZ2 . 18255 1 349 . 1 1 40 40 TRP CH2 C 13 123.9 0.2 . 1 . . . . A 40 TRP CH2 . 18255 1 350 . 1 1 40 40 TRP N N 15 126.6 0.2 . 1 . . . . A 40 TRP N . 18255 1 351 . 1 1 40 40 TRP NE1 N 15 127.9 0.2 . 1 . . . . A 40 TRP NE1 . 18255 1 352 . 1 1 41 41 MET H H 1 7.86 0.02 . 1 . . . . A 41 MET H . 18255 1 353 . 1 1 41 41 MET HA H 1 3.47 0.02 . 1 . . . . A 41 MET HA . 18255 1 354 . 1 1 41 41 MET HB2 H 1 1.44 0.02 . 2 . . . . A 41 MET HB2 . 18255 1 355 . 1 1 41 41 MET HB3 H 1 1.36 0.02 . 2 . . . . A 41 MET HB3 . 18255 1 356 . 1 1 41 41 MET HG2 H 1 2.20 0.02 . 2 . . . . A 41 MET HG2 . 18255 1 357 . 1 1 41 41 MET HG3 H 1 1.79 0.02 . 2 . . . . A 41 MET HG3 . 18255 1 358 . 1 1 41 41 MET HE1 H 1 1.87 0.02 . 1 . . . . A 41 MET HE1 . 18255 1 359 . 1 1 41 41 MET HE2 H 1 1.87 0.02 . 1 . . . . A 41 MET HE2 . 18255 1 360 . 1 1 41 41 MET HE3 H 1 1.87 0.02 . 1 . . . . A 41 MET HE3 . 18255 1 361 . 1 1 41 41 MET C C 13 175.0 0.2 . 1 . . . . A 41 MET C . 18255 1 362 . 1 1 41 41 MET CA C 13 56.9 0.2 . 1 . . . . A 41 MET CA . 18255 1 363 . 1 1 41 41 MET CB C 13 33.8 0.2 . 1 . . . . A 41 MET CB . 18255 1 364 . 1 1 41 41 MET CG C 13 31.5 0.2 . 1 . . . . A 41 MET CG . 18255 1 365 . 1 1 41 41 MET CE C 13 17.0 0.2 . 1 . . . . A 41 MET CE . 18255 1 366 . 1 1 41 41 MET N N 15 127.7 0.2 . 1 . . . . A 41 MET N . 18255 1 367 . 1 1 42 42 ASP H H 1 8.29 0.02 . 1 . . . . A 42 ASP H . 18255 1 368 . 1 1 42 42 ASP HA H 1 4.52 0.02 . 1 . . . . A 42 ASP HA . 18255 1 369 . 1 1 42 42 ASP HB2 H 1 2.42 0.02 . 2 . . . . A 42 ASP HB2 . 18255 1 370 . 1 1 42 42 ASP HB3 H 1 2.18 0.02 . 2 . . . . A 42 ASP HB3 . 18255 1 371 . 1 1 42 42 ASP C C 13 176.8 0.2 . 1 . . . . A 42 ASP C . 18255 1 372 . 1 1 42 42 ASP CA C 13 55.5 0.2 . 1 . . . . A 42 ASP CA . 18255 1 373 . 1 1 42 42 ASP CB C 13 41.5 0.2 . 1 . . . . A 42 ASP CB . 18255 1 374 . 1 1 42 42 ASP N N 15 123.4 0.2 . 1 . . . . A 42 ASP N . 18255 1 375 . 1 1 43 43 GLY H H 1 8.35 0.02 . 1 . . . . A 43 GLY H . 18255 1 376 . 1 1 43 43 GLY HA2 H 1 4.19 0.02 . 2 . . . . A 43 GLY HA2 . 18255 1 377 . 1 1 43 43 GLY HA3 H 1 3.67 0.02 . 2 . . . . A 43 GLY HA3 . 18255 1 378 . 1 1 43 43 GLY C C 13 174.0 0.2 . 1 . . . . A 43 GLY C . 18255 1 379 . 1 1 43 43 GLY CA C 13 45.3 0.2 . 1 . . . . A 43 GLY CA . 18255 1 380 . 1 1 43 43 GLY N N 15 113.3 0.2 . 1 . . . . A 43 GLY N . 18255 1 381 . 1 1 44 44 ARG H H 1 7.56 0.02 . 1 . . . . A 44 ARG H . 18255 1 382 . 1 1 44 44 ARG HB2 H 1 1.88 0.02 . 2 . . . . A 44 ARG HB2 . 18255 1 383 . 1 1 44 44 ARG HB3 H 1 1.68 0.02 . 2 . . . . A 44 ARG HB3 . 18255 1 384 . 1 1 44 44 ARG HG2 H 1 1.56 0.02 . 2 . . . . A 44 ARG HG2 . 18255 1 385 . 1 1 44 44 ARG HG3 H 1 1.56 0.02 . 2 . . . . A 44 ARG HG3 . 18255 1 386 . 1 1 44 44 ARG HD2 H 1 2.87 0.02 . 2 . . . . A 44 ARG HD2 . 18255 1 387 . 1 1 44 44 ARG HD3 H 1 2.75 0.02 . 2 . . . . A 44 ARG HD3 . 18255 1 388 . 1 1 44 44 ARG C C 13 176.6 0.2 . 1 . . . . A 44 ARG C . 18255 1 389 . 1 1 44 44 ARG CA C 13 54.8 0.2 . 1 . . . . A 44 ARG CA . 18255 1 390 . 1 1 44 44 ARG CB C 13 31.5 0.2 . 1 . . . . A 44 ARG CB . 18255 1 391 . 1 1 44 44 ARG CG C 13 27.0 0.2 . 1 . . . . A 44 ARG CG . 18255 1 392 . 1 1 44 44 ARG CD C 13 43.2 0.2 . 1 . . . . A 44 ARG CD . 18255 1 393 . 1 1 44 44 ARG N N 15 119.6 0.2 . 1 . . . . A 44 ARG N . 18255 1 394 . 1 1 45 45 SER H H 1 8.83 0.02 . 1 . . . . A 45 SER H . 18255 1 395 . 1 1 45 45 SER HA H 1 4.31 0.02 . 1 . . . . A 45 SER HA . 18255 1 396 . 1 1 45 45 SER HB2 H 1 3.81 0.02 . 2 . . . . A 45 SER HB2 . 18255 1 397 . 1 1 45 45 SER HB3 H 1 3.81 0.02 . 2 . . . . A 45 SER HB3 . 18255 1 398 . 1 1 45 45 SER C C 13 174.3 0.2 . 1 . . . . A 45 SER C . 18255 1 399 . 1 1 45 45 SER CA C 13 59.4 0.2 . 1 . . . . A 45 SER CA . 18255 1 400 . 1 1 45 45 SER CB C 13 63.2 0.2 . 1 . . . . A 45 SER CB . 18255 1 401 . 1 1 45 45 SER N N 15 121.0 0.2 . 1 . . . . A 45 SER N . 18255 1 402 . 1 1 46 46 LEU H H 1 8.61 0.02 . 1 . . . . A 46 LEU H . 18255 1 403 . 1 1 46 46 LEU HA H 1 3.85 0.02 . 1 . . . . A 46 LEU HA . 18255 1 404 . 1 1 46 46 LEU HB2 H 1 1.28 0.02 . 2 . . . . A 46 LEU HB2 . 18255 1 405 . 1 1 46 46 LEU HB3 H 1 1.24 0.02 . 2 . . . . A 46 LEU HB3 . 18255 1 406 . 1 1 46 46 LEU HD11 H 1 0.42 0.02 . 2 . . . . A 46 LEU HD11 . 18255 1 407 . 1 1 46 46 LEU HD12 H 1 0.42 0.02 . 2 . . . . A 46 LEU HD12 . 18255 1 408 . 1 1 46 46 LEU HD13 H 1 0.42 0.02 . 2 . . . . A 46 LEU HD13 . 18255 1 409 . 1 1 46 46 LEU HD21 H 1 0.28 0.02 . 2 . . . . A 46 LEU HD21 . 18255 1 410 . 1 1 46 46 LEU HD22 H 1 0.28 0.02 . 2 . . . . A 46 LEU HD22 . 18255 1 411 . 1 1 46 46 LEU HD23 H 1 0.28 0.02 . 2 . . . . A 46 LEU HD23 . 18255 1 412 . 1 1 46 46 LEU CA C 13 53.0 0.2 . 1 . . . . A 46 LEU CA . 18255 1 413 . 1 1 46 46 LEU CB C 13 42.2 0.2 . 1 . . . . A 46 LEU CB . 18255 1 414 . 1 1 46 46 LEU CD1 C 13 24.7 0.2 . 2 . . . . A 46 LEU CD1 . 18255 1 415 . 1 1 46 46 LEU CD2 C 13 24.5 0.2 . 2 . . . . A 46 LEU CD2 . 18255 1 416 . 1 1 46 46 LEU N N 15 127.9 0.2 . 1 . . . . A 46 LEU N . 18255 1 417 . 1 1 47 47 PRO HA H 1 4.18 0.02 . 1 . . . . A 47 PRO HA . 18255 1 418 . 1 1 47 47 PRO HB2 H 1 1.93 0.02 . 2 . . . . A 47 PRO HB2 . 18255 1 419 . 1 1 47 47 PRO HB3 H 1 1.03 0.02 . 2 . . . . A 47 PRO HB3 . 18255 1 420 . 1 1 47 47 PRO HG2 H 1 1.08 0.02 . 2 . . . . A 47 PRO HG2 . 18255 1 421 . 1 1 47 47 PRO HG3 H 1 0.54 0.02 . 2 . . . . A 47 PRO HG3 . 18255 1 422 . 1 1 47 47 PRO HD2 H 1 2.58 0.02 . 2 . . . . A 47 PRO HD2 . 18255 1 423 . 1 1 47 47 PRO HD3 H 1 1.99 0.02 . 2 . . . . A 47 PRO HD3 . 18255 1 424 . 1 1 47 47 PRO C C 13 175.7 0.2 . 1 . . . . A 47 PRO C . 18255 1 425 . 1 1 47 47 PRO CA C 13 61.8 0.2 . 1 . . . . A 47 PRO CA . 18255 1 426 . 1 1 47 47 PRO CB C 13 31.1 0.2 . 1 . . . . A 47 PRO CB . 18255 1 427 . 1 1 47 47 PRO CG C 13 26.8 0.2 . 1 . . . . A 47 PRO CG . 18255 1 428 . 1 1 47 47 PRO CD C 13 49.9 0.2 . 1 . . . . A 47 PRO CD . 18255 1 429 . 1 1 48 48 ALA H H 1 8.26 0.02 . 1 . . . . A 48 ALA H . 18255 1 430 . 1 1 48 48 ALA HA H 1 4.10 0.02 . 1 . . . . A 48 ALA HA . 18255 1 431 . 1 1 48 48 ALA HB1 H 1 1.35 0.02 . 1 . . . . A 48 ALA HB1 . 18255 1 432 . 1 1 48 48 ALA HB2 H 1 1.35 0.02 . 1 . . . . A 48 ALA HB2 . 18255 1 433 . 1 1 48 48 ALA HB3 H 1 1.35 0.02 . 1 . . . . A 48 ALA HB3 . 18255 1 434 . 1 1 48 48 ALA C C 13 178.8 0.2 . 1 . . . . A 48 ALA C . 18255 1 435 . 1 1 48 48 ALA CA C 13 53.5 0.2 . 1 . . . . A 48 ALA CA . 18255 1 436 . 1 1 48 48 ALA CB C 13 18.2 0.2 . 1 . . . . A 48 ALA CB . 18255 1 437 . 1 1 48 48 ALA N N 15 123.6 0.2 . 1 . . . . A 48 ALA N . 18255 1 438 . 1 1 49 49 GLY H H 1 8.72 0.02 . 1 . . . . A 49 GLY H . 18255 1 439 . 1 1 49 49 GLY HA2 H 1 4.26 0.02 . 2 . . . . A 49 GLY HA2 . 18255 1 440 . 1 1 49 49 GLY HA3 H 1 3.57 0.02 . 2 . . . . A 49 GLY HA3 . 18255 1 441 . 1 1 49 49 GLY C C 13 173.8 0.2 . 1 . . . . A 49 GLY C . 18255 1 442 . 1 1 49 49 GLY CA C 13 45.1 0.2 . 1 . . . . A 49 GLY CA . 18255 1 443 . 1 1 49 49 GLY N N 15 110.2 0.2 . 1 . . . . A 49 GLY N . 18255 1 444 . 1 1 50 50 TRP H H 1 7.64 0.02 . 1 . . . . A 50 TRP H . 18255 1 445 . 1 1 50 50 TRP HA H 1 4.67 0.02 . 1 . . . . A 50 TRP HA . 18255 1 446 . 1 1 50 50 TRP HB2 H 1 2.77 0.02 . 2 . . . . A 50 TRP HB2 . 18255 1 447 . 1 1 50 50 TRP HB3 H 1 2.65 0.02 . 2 . . . . A 50 TRP HB3 . 18255 1 448 . 1 1 50 50 TRP HD1 H 1 6.97 0.02 . 1 . . . . A 50 TRP HD1 . 18255 1 449 . 1 1 50 50 TRP HE1 H 1 10.13 0.02 . 1 . . . . A 50 TRP HE1 . 18255 1 450 . 1 1 50 50 TRP HE3 H 1 7.62 0.02 . 1 . . . . A 50 TRP HE3 . 18255 1 451 . 1 1 50 50 TRP HZ2 H 1 7.44 0.02 . 1 . . . . A 50 TRP HZ2 . 18255 1 452 . 1 1 50 50 TRP HZ3 H 1 7.16 0.02 . 1 . . . . A 50 TRP HZ3 . 18255 1 453 . 1 1 50 50 TRP HH2 H 1 6.99 0.02 . 1 . . . . A 50 TRP HH2 . 18255 1 454 . 1 1 50 50 TRP C C 13 174.9 0.2 . 1 . . . . A 50 TRP C . 18255 1 455 . 1 1 50 50 TRP CA C 13 56.2 0.2 . 1 . . . . A 50 TRP CA . 18255 1 456 . 1 1 50 50 TRP CB C 13 30.4 0.2 . 1 . . . . A 50 TRP CB . 18255 1 457 . 1 1 50 50 TRP CD1 C 13 126.5 0.2 . 1 . . . . A 50 TRP CD1 . 18255 1 458 . 1 1 50 50 TRP CE3 C 13 121.3 0.2 . 1 . . . . A 50 TRP CE3 . 18255 1 459 . 1 1 50 50 TRP CZ2 C 13 114.3 0.2 . 1 . . . . A 50 TRP CZ2 . 18255 1 460 . 1 1 50 50 TRP CZ3 C 13 121.3 0.2 . 1 . . . . A 50 TRP CZ3 . 18255 1 461 . 1 1 50 50 TRP CH2 C 13 124.1 0.2 . 1 . . . . A 50 TRP CH2 . 18255 1 462 . 1 1 50 50 TRP N N 15 119.9 0.2 . 1 . . . . A 50 TRP N . 18255 1 463 . 1 1 50 50 TRP NE1 N 15 129.1 0.2 . 1 . . . . A 50 TRP NE1 . 18255 1 464 . 1 1 51 51 GLU H H 1 8.65 0.02 . 1 . . . . A 51 GLU H . 18255 1 465 . 1 1 51 51 GLU HB2 H 1 1.96 0.02 . 2 . . . . A 51 GLU HB2 . 18255 1 466 . 1 1 51 51 GLU HB3 H 1 1.86 0.02 . 2 . . . . A 51 GLU HB3 . 18255 1 467 . 1 1 51 51 GLU HG2 H 1 2.20 0.02 . 2 . . . . A 51 GLU HG2 . 18255 1 468 . 1 1 51 51 GLU HG3 H 1 2.07 0.02 . 2 . . . . A 51 GLU HG3 . 18255 1 469 . 1 1 51 51 GLU C C 13 175.4 0.2 . 1 . . . . A 51 GLU C . 18255 1 470 . 1 1 51 51 GLU CA C 13 54.3 0.2 . 1 . . . . A 51 GLU CA . 18255 1 471 . 1 1 51 51 GLU CB C 13 33.6 0.2 . 1 . . . . A 51 GLU CB . 18255 1 472 . 1 1 51 51 GLU CG C 13 35.6 0.2 . 1 . . . . A 51 GLU CG . 18255 1 473 . 1 1 51 51 GLU N N 15 118.2 0.2 . 1 . . . . A 51 GLU N . 18255 1 474 . 1 1 52 52 THR H H 1 8.45 0.02 . 1 . . . . A 52 THR H . 18255 1 475 . 1 1 52 52 THR HB H 1 3.97 0.02 . 1 . . . . A 52 THR HB . 18255 1 476 . 1 1 52 52 THR HG1 H 1 4.65 0.02 . 1 . . . . A 52 THR HG1 . 18255 1 477 . 1 1 52 52 THR HG21 H 1 0.48 0.02 . 1 . . . . A 52 THR HG21 . 18255 1 478 . 1 1 52 52 THR HG22 H 1 0.48 0.02 . 1 . . . . A 52 THR HG22 . 18255 1 479 . 1 1 52 52 THR HG23 H 1 0.48 0.02 . 1 . . . . A 52 THR HG23 . 18255 1 480 . 1 1 52 52 THR C C 13 174.8 0.2 . 1 . . . . A 52 THR C . 18255 1 481 . 1 1 52 52 THR CA C 13 62.0 0.2 . 1 . . . . A 52 THR CA . 18255 1 482 . 1 1 52 52 THR CB C 13 70.0 0.2 . 1 . . . . A 52 THR CB . 18255 1 483 . 1 1 52 52 THR CG2 C 13 21.7 0.2 . 1 . . . . A 52 THR CG2 . 18255 1 484 . 1 1 52 52 THR N N 15 112.2 0.2 . 1 . . . . A 52 THR N . 18255 1 485 . 1 1 53 53 VAL H H 1 8.80 0.02 . 1 . . . . A 53 VAL H . 18255 1 486 . 1 1 53 53 VAL HA H 1 4.27 0.02 . 1 . . . . A 53 VAL HA . 18255 1 487 . 1 1 53 53 VAL HB H 1 1.96 0.02 . 1 . . . . A 53 VAL HB . 18255 1 488 . 1 1 53 53 VAL HG11 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG11 . 18255 1 489 . 1 1 53 53 VAL HG12 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG12 . 18255 1 490 . 1 1 53 53 VAL HG13 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG13 . 18255 1 491 . 1 1 53 53 VAL HG21 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG21 . 18255 1 492 . 1 1 53 53 VAL HG22 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG22 . 18255 1 493 . 1 1 53 53 VAL HG23 H 1 0.89 0.02 . 2 . . . . A 53 VAL HG23 . 18255 1 494 . 1 1 53 53 VAL C C 13 176.2 0.2 . 1 . . . . A 53 VAL C . 18255 1 495 . 1 1 53 53 VAL CA C 13 61.3 0.2 . 1 . . . . A 53 VAL CA . 18255 1 496 . 1 1 53 53 VAL CB C 13 33.0 0.2 . 1 . . . . A 53 VAL CB . 18255 1 497 . 1 1 53 53 VAL CG1 C 13 20.6 0.2 . 2 . . . . A 53 VAL CG1 . 18255 1 498 . 1 1 53 53 VAL CG2 C 13 20.6 0.2 . 2 . . . . A 53 VAL CG2 . 18255 1 499 . 1 1 53 53 VAL N N 15 122.3 0.2 . 1 . . . . A 53 VAL N . 18255 1 500 . 1 1 54 54 GLY H H 1 8.83 0.02 . 1 . . . . A 54 GLY H . 18255 1 501 . 1 1 54 54 GLY HA2 H 1 4.22 0.02 . 2 . . . . A 54 GLY HA2 . 18255 1 502 . 1 1 54 54 GLY HA3 H 1 3.95 0.02 . 2 . . . . A 54 GLY HA3 . 18255 1 503 . 1 1 54 54 GLY C C 13 173.1 0.2 . 1 . . . . A 54 GLY C . 18255 1 504 . 1 1 54 54 GLY CA C 13 44.9 0.2 . 1 . . . . A 54 GLY CA . 18255 1 505 . 1 1 54 54 GLY N N 15 115.4 0.2 . 1 . . . . A 54 GLY N . 18255 1 506 . 1 1 55 55 GLU H H 1 8.39 0.02 . 1 . . . . A 55 GLU H . 18255 1 507 . 1 1 55 55 GLU HA H 1 4.72 0.02 . 1 . . . . A 55 GLU HA . 18255 1 508 . 1 1 55 55 GLU HB2 H 1 2.19 0.02 . 2 . . . . A 55 GLU HB2 . 18255 1 509 . 1 1 55 55 GLU HB3 H 1 1.90 0.02 . 2 . . . . A 55 GLU HB3 . 18255 1 510 . 1 1 55 55 GLU CB C 13 29.6 0.2 . 1 . . . . A 55 GLU CB . 18255 1 511 . 1 1 55 55 GLU N N 15 119.0 0.2 . 1 . . . . A 55 GLU N . 18255 1 512 . 1 1 56 56 PRO HA H 1 4.42 0.02 . 1 . . . . A 56 PRO HA . 18255 1 513 . 1 1 56 56 PRO HB2 H 1 1.37 0.02 . 2 . . . . A 56 PRO HB2 . 18255 1 514 . 1 1 56 56 PRO HB3 H 1 0.75 0.02 . 2 . . . . A 56 PRO HB3 . 18255 1 515 . 1 1 56 56 PRO HG2 H 1 1.77 0.02 . 2 . . . . A 56 PRO HG2 . 18255 1 516 . 1 1 56 56 PRO HG3 H 1 1.56 0.02 . 2 . . . . A 56 PRO HG3 . 18255 1 517 . 1 1 56 56 PRO HD2 H 1 3.74 0.02 . 2 . . . . A 56 PRO HD2 . 18255 1 518 . 1 1 56 56 PRO HD3 H 1 3.67 0.02 . 2 . . . . A 56 PRO HD3 . 18255 1 519 . 1 1 56 56 PRO C C 13 176.2 0.2 . 1 . . . . A 56 PRO C . 18255 1 520 . 1 1 56 56 PRO CA C 13 62.9 0.2 . 1 . . . . A 56 PRO CA . 18255 1 521 . 1 1 56 56 PRO CB C 13 31.5 0.2 . 1 . . . . A 56 PRO CB . 18255 1 522 . 1 1 56 56 PRO CG C 13 26.5 0.2 . 1 . . . . A 56 PRO CG . 18255 1 523 . 1 1 56 56 PRO CD C 13 49.7 0.2 . 1 . . . . A 56 PRO CD . 18255 1 524 . 1 1 57 57 ALA H H 1 9.58 0.02 . 1 . . . . A 57 ALA H . 18255 1 525 . 1 1 57 57 ALA HA H 1 4.63 0.02 . 1 . . . . A 57 ALA HA . 18255 1 526 . 1 1 57 57 ALA HB1 H 1 1.57 0.02 . 1 . . . . A 57 ALA HB1 . 18255 1 527 . 1 1 57 57 ALA HB2 H 1 1.57 0.02 . 1 . . . . A 57 ALA HB2 . 18255 1 528 . 1 1 57 57 ALA HB3 H 1 1.57 0.02 . 1 . . . . A 57 ALA HB3 . 18255 1 529 . 1 1 57 57 ALA CA C 13 51.3 0.2 . 1 . . . . A 57 ALA CA . 18255 1 530 . 1 1 57 57 ALA CB C 13 22.2 0.2 . 1 . . . . A 57 ALA CB . 18255 1 531 . 1 1 57 57 ALA N N 15 124.3 0.2 . 1 . . . . A 57 ALA N . 18255 1 532 . 1 1 58 58 THR H H 1 8.07 0.02 . 1 . . . . A 58 THR H . 18255 1 533 . 1 1 58 58 THR HG21 H 1 1.36 0.02 . 1 . . . . A 58 THR HG21 . 18255 1 534 . 1 1 58 58 THR HG22 H 1 1.36 0.02 . 1 . . . . A 58 THR HG22 . 18255 1 535 . 1 1 58 58 THR HG23 H 1 1.36 0.02 . 1 . . . . A 58 THR HG23 . 18255 1 536 . 1 1 58 58 THR C C 13 175.7 0.2 . 1 . . . . A 58 THR C . 18255 1 537 . 1 1 58 58 THR CA C 13 62.2 0.2 . 1 . . . . A 58 THR CA . 18255 1 538 . 1 1 58 58 THR CB C 13 70.6 0.2 . 1 . . . . A 58 THR CB . 18255 1 539 . 1 1 58 58 THR CG2 C 13 21.9 0.2 . 1 . . . . A 58 THR CG2 . 18255 1 540 . 1 1 58 58 THR N N 15 108.7 0.2 . 1 . . . . A 58 THR N . 18255 1 541 . 1 1 59 59 LYS H H 1 9.42 0.02 . 1 . . . . A 59 LYS H . 18255 1 542 . 1 1 59 59 LYS HA H 1 3.17 0.02 . 1 . . . . A 59 LYS HA . 18255 1 543 . 1 1 59 59 LYS HB2 H 1 1.46 0.02 . 2 . . . . A 59 LYS HB2 . 18255 1 544 . 1 1 59 59 LYS HB3 H 1 1.06 0.02 . 2 . . . . A 59 LYS HB3 . 18255 1 545 . 1 1 59 59 LYS HG2 H 1 1.01 0.02 . 2 . . . . A 59 LYS HG2 . 18255 1 546 . 1 1 59 59 LYS HG3 H 1 0.39 0.02 . 2 . . . . A 59 LYS HG3 . 18255 1 547 . 1 1 59 59 LYS HD2 H 1 1.32 0.02 . 2 . . . . A 59 LYS HD2 . 18255 1 548 . 1 1 59 59 LYS HD3 H 1 1.24 0.02 . 2 . . . . A 59 LYS HD3 . 18255 1 549 . 1 1 59 59 LYS C C 13 178.1 0.2 . 1 . . . . A 59 LYS C . 18255 1 550 . 1 1 59 59 LYS CA C 13 61.3 0.2 . 1 . . . . A 59 LYS CA . 18255 1 551 . 1 1 59 59 LYS CB C 13 31.7 0.2 . 1 . . . . A 59 LYS CB . 18255 1 552 . 1 1 59 59 LYS CG C 13 25.0 0.2 . 1 . . . . A 59 LYS CG . 18255 1 553 . 1 1 59 59 LYS CD C 13 29.2 0.2 . 1 . . . . A 59 LYS CD . 18255 1 554 . 1 1 59 59 LYS N N 15 123.4 0.2 . 1 . . . . A 59 LYS N . 18255 1 555 . 1 1 60 60 GLN H H 1 8.61 0.02 . 1 . . . . A 60 GLN H . 18255 1 556 . 1 1 60 60 GLN HA H 1 3.87 0.02 . 1 . . . . A 60 GLN HA . 18255 1 557 . 1 1 60 60 GLN HB2 H 1 2.05 0.02 . 2 . . . . A 60 GLN HB2 . 18255 1 558 . 1 1 60 60 GLN HB3 H 1 1.94 0.02 . 2 . . . . A 60 GLN HB3 . 18255 1 559 . 1 1 60 60 GLN HG2 H 1 2.38 0.02 . 2 . . . . A 60 GLN HG2 . 18255 1 560 . 1 1 60 60 GLN HG3 H 1 2.38 0.02 . 2 . . . . A 60 GLN HG3 . 18255 1 561 . 1 1 60 60 GLN HE21 H 1 7.53 0.02 . 2 . . . . A 60 GLN HE21 . 18255 1 562 . 1 1 60 60 GLN HE22 H 1 6.94 0.02 . 2 . . . . A 60 GLN HE22 . 18255 1 563 . 1 1 60 60 GLN C C 13 178.6 0.2 . 1 . . . . A 60 GLN C . 18255 1 564 . 1 1 60 60 GLN CA C 13 59.2 0.2 . 1 . . . . A 60 GLN CA . 18255 1 565 . 1 1 60 60 GLN CB C 13 28.1 0.2 . 1 . . . . A 60 GLN CB . 18255 1 566 . 1 1 60 60 GLN CG C 13 33.7 0.2 . 1 . . . . A 60 GLN CG . 18255 1 567 . 1 1 60 60 GLN N N 15 114.8 0.2 . 1 . . . . A 60 GLN N . 18255 1 568 . 1 1 60 60 GLN NE2 N 15 111.6 0.2 . 1 . . . . A 60 GLN NE2 . 18255 1 569 . 1 1 61 61 GLN H H 1 7.69 0.02 . 1 . . . . A 61 GLN H . 18255 1 570 . 1 1 61 61 GLN HA H 1 4.03 0.02 . 1 . . . . A 61 GLN HA . 18255 1 571 . 1 1 61 61 GLN HB2 H 1 2.33 0.02 . 2 . . . . A 61 GLN HB2 . 18255 1 572 . 1 1 61 61 GLN HB3 H 1 1.94 0.02 . 2 . . . . A 61 GLN HB3 . 18255 1 573 . 1 1 61 61 GLN HG2 H 1 2.40 0.02 . 2 . . . . A 61 GLN HG2 . 18255 1 574 . 1 1 61 61 GLN HG3 H 1 2.40 0.02 . 2 . . . . A 61 GLN HG3 . 18255 1 575 . 1 1 61 61 GLN HE21 H 1 7.52 0.02 . 2 . . . . A 61 GLN HE21 . 18255 1 576 . 1 1 61 61 GLN HE22 H 1 6.91 0.02 . 2 . . . . A 61 GLN HE22 . 18255 1 577 . 1 1 61 61 GLN C C 13 179.7 0.2 . 1 . . . . A 61 GLN C . 18255 1 578 . 1 1 61 61 GLN CA C 13 58.9 0.2 . 1 . . . . A 61 GLN CA . 18255 1 579 . 1 1 61 61 GLN CB C 13 28.7 0.2 . 1 . . . . A 61 GLN CB . 18255 1 580 . 1 1 61 61 GLN CG C 13 34.9 0.2 . 1 . . . . A 61 GLN CG . 18255 1 581 . 1 1 61 61 GLN NE2 N 15 112.1 0.2 . 1 . . . . A 61 GLN NE2 . 18255 1 582 . 1 1 62 62 CYS H H 1 8.46 0.02 . 1 . . . . A 62 CYS H . 18255 1 583 . 1 1 62 62 CYS HA H 1 3.89 0.02 . 1 . . . . A 62 CYS HA . 18255 1 584 . 1 1 62 62 CYS HB2 H 1 3.12 0.02 . 2 . . . . A 62 CYS HB2 . 18255 1 585 . 1 1 62 62 CYS HB3 H 1 2.47 0.02 . 2 . . . . A 62 CYS HB3 . 18255 1 586 . 1 1 62 62 CYS C C 13 176.4 0.2 . 1 . . . . A 62 CYS C . 18255 1 587 . 1 1 62 62 CYS CA C 13 64.8 0.2 . 1 . . . . A 62 CYS CA . 18255 1 588 . 1 1 62 62 CYS CB C 13 27.2 0.2 . 1 . . . . A 62 CYS CB . 18255 1 589 . 1 1 62 62 CYS N N 15 118.8 0.2 . 1 . . . . A 62 CYS N . 18255 1 590 . 1 1 63 63 LEU H H 1 8.35 0.02 . 1 . . . . A 63 LEU H . 18255 1 591 . 1 1 63 63 LEU HA H 1 3.89 0.02 . 1 . . . . A 63 LEU HA . 18255 1 592 . 1 1 63 63 LEU HB2 H 1 1.83 0.02 . 2 . . . . A 63 LEU HB2 . 18255 1 593 . 1 1 63 63 LEU HB3 H 1 1.42 0.02 . 2 . . . . A 63 LEU HB3 . 18255 1 594 . 1 1 63 63 LEU HG H 1 0.77 0.02 . 1 . . . . A 63 LEU HG . 18255 1 595 . 1 1 63 63 LEU HD11 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD11 . 18255 1 596 . 1 1 63 63 LEU HD12 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD12 . 18255 1 597 . 1 1 63 63 LEU HD13 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD13 . 18255 1 598 . 1 1 63 63 LEU HD21 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD21 . 18255 1 599 . 1 1 63 63 LEU HD22 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD22 . 18255 1 600 . 1 1 63 63 LEU HD23 H 1 0.79 0.02 . 2 . . . . A 63 LEU HD23 . 18255 1 601 . 1 1 63 63 LEU CA C 13 58.1 0.2 . 1 . . . . A 63 LEU CA . 18255 1 602 . 1 1 63 63 LEU CB C 13 40.9 0.2 . 1 . . . . A 63 LEU CB . 18255 1 603 . 1 1 63 63 LEU CG C 13 25.6 0.2 . 1 . . . . A 63 LEU CG . 18255 1 604 . 1 1 63 63 LEU CD1 C 13 22.8 0.2 . 2 . . . . A 63 LEU CD1 . 18255 1 605 . 1 1 63 63 LEU CD2 C 13 22.8 0.2 . 2 . . . . A 63 LEU CD2 . 18255 1 606 . 1 1 63 63 LEU N N 15 119.2 0.2 . 1 . . . . A 63 LEU N . 18255 1 607 . 1 1 64 64 GLN H H 1 7.91 0.02 . 1 . . . . A 64 GLN H . 18255 1 608 . 1 1 64 64 GLN HA H 1 4.03 0.02 . 1 . . . . A 64 GLN HA . 18255 1 609 . 1 1 64 64 GLN HB2 H 1 2.15 0.02 . 2 . . . . A 64 GLN HB2 . 18255 1 610 . 1 1 64 64 GLN HB3 H 1 2.10 0.02 . 2 . . . . A 64 GLN HB3 . 18255 1 611 . 1 1 64 64 GLN HG2 H 1 2.51 0.02 . 2 . . . . A 64 GLN HG2 . 18255 1 612 . 1 1 64 64 GLN HG3 H 1 2.35 0.02 . 2 . . . . A 64 GLN HG3 . 18255 1 613 . 1 1 64 64 GLN HE21 H 1 7.63 0.02 . 2 . . . . A 64 GLN HE21 . 18255 1 614 . 1 1 64 64 GLN HE22 H 1 6.82 0.02 . 2 . . . . A 64 GLN HE22 . 18255 1 615 . 1 1 64 64 GLN C C 13 178.4 0.2 . 1 . . . . A 64 GLN C . 18255 1 616 . 1 1 64 64 GLN CA C 13 58.6 0.2 . 1 . . . . A 64 GLN CA . 18255 1 617 . 1 1 64 64 GLN CB C 13 28.3 0.2 . 1 . . . . A 64 GLN CB . 18255 1 618 . 1 1 64 64 GLN CG C 13 34.2 0.2 . 1 . . . . A 64 GLN CG . 18255 1 619 . 1 1 64 64 GLN N N 15 119.0 0.2 . 1 . . . . A 64 GLN N . 18255 1 620 . 1 1 64 64 GLN NE2 N 15 112.3 0.2 . 1 . . . . A 64 GLN NE2 . 18255 1 621 . 1 1 65 65 ARG H H 1 7.94 0.02 . 1 . . . . A 65 ARG H . 18255 1 622 . 1 1 65 65 ARG HA H 1 4.00 0.02 . 1 . . . . A 65 ARG HA . 18255 1 623 . 1 1 65 65 ARG HB2 H 1 2.02 0.02 . 2 . . . . A 65 ARG HB2 . 18255 1 624 . 1 1 65 65 ARG HB3 H 1 1.91 0.02 . 2 . . . . A 65 ARG HB3 . 18255 1 625 . 1 1 65 65 ARG HG2 H 1 1.82 0.02 . 2 . . . . A 65 ARG HG2 . 18255 1 626 . 1 1 65 65 ARG HG3 H 1 1.71 0.02 . 2 . . . . A 65 ARG HG3 . 18255 1 627 . 1 1 65 65 ARG HD2 H 1 3.22 0.02 . 2 . . . . A 65 ARG HD2 . 18255 1 628 . 1 1 65 65 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 65 ARG HD3 . 18255 1 629 . 1 1 65 65 ARG CA C 13 59.3 0.2 . 1 . . . . A 65 ARG CA . 18255 1 630 . 1 1 65 65 ARG CB C 13 29.9 0.2 . 1 . . . . A 65 ARG CB . 18255 1 631 . 1 1 65 65 ARG CG C 13 27.1 0.2 . 1 . . . . A 65 ARG CG . 18255 1 632 . 1 1 65 65 ARG CD C 13 43.9 0.2 . 1 . . . . A 65 ARG CD . 18255 1 633 . 1 1 65 65 ARG N N 15 120.0 0.2 . 1 . . . . A 65 ARG N . 18255 1 634 . 1 1 66 66 ILE HA H 1 3.37 0.02 . 1 . . . . A 66 ILE HA . 18255 1 635 . 1 1 66 66 ILE HB H 1 1.80 0.02 . 1 . . . . A 66 ILE HB . 18255 1 636 . 1 1 66 66 ILE HG12 H 1 1.81 0.02 . 2 . . . . A 66 ILE HG12 . 18255 1 637 . 1 1 66 66 ILE HG13 H 1 0.78 0.02 . 2 . . . . A 66 ILE HG13 . 18255 1 638 . 1 1 66 66 ILE HG21 H 1 0.70 0.02 . 1 . . . . A 66 ILE HG21 . 18255 1 639 . 1 1 66 66 ILE HG22 H 1 0.70 0.02 . 1 . . . . A 66 ILE HG22 . 18255 1 640 . 1 1 66 66 ILE HG23 H 1 0.70 0.02 . 1 . . . . A 66 ILE HG23 . 18255 1 641 . 1 1 66 66 ILE HD11 H 1 0.84 0.02 . 1 . . . . A 66 ILE HD11 . 18255 1 642 . 1 1 66 66 ILE HD12 H 1 0.84 0.02 . 1 . . . . A 66 ILE HD12 . 18255 1 643 . 1 1 66 66 ILE HD13 H 1 0.84 0.02 . 1 . . . . A 66 ILE HD13 . 18255 1 644 . 1 1 66 66 ILE C C 13 176.7 0.2 . 1 . . . . A 66 ILE C . 18255 1 645 . 1 1 66 66 ILE CA C 13 65.5 0.2 . 1 . . . . A 66 ILE CA . 18255 1 646 . 1 1 66 66 ILE CB C 13 37.9 0.2 . 1 . . . . A 66 ILE CB . 18255 1 647 . 1 1 66 66 ILE CG1 C 13 30.3 0.2 . 1 . . . . A 66 ILE CG1 . 18255 1 648 . 1 1 66 66 ILE CG2 C 13 17.6 0.2 . 1 . . . . A 66 ILE CG2 . 18255 1 649 . 1 1 66 66 ILE CD1 C 13 14.2 0.2 . 1 . . . . A 66 ILE CD1 . 18255 1 650 . 1 1 67 67 GLU H H 1 7.60 0.02 . 1 . . . . A 67 GLU H . 18255 1 651 . 1 1 67 67 GLU HA H 1 3.95 0.02 . 1 . . . . A 67 GLU HA . 18255 1 652 . 1 1 67 67 GLU HB2 H 1 2.12 0.02 . 2 . . . . A 67 GLU HB2 . 18255 1 653 . 1 1 67 67 GLU HB3 H 1 2.12 0.02 . 2 . . . . A 67 GLU HB3 . 18255 1 654 . 1 1 67 67 GLU HG2 H 1 2.41 0.02 . 2 . . . . A 67 GLU HG2 . 18255 1 655 . 1 1 67 67 GLU HG3 H 1 2.24 0.02 . 2 . . . . A 67 GLU HG3 . 18255 1 656 . 1 1 67 67 GLU C C 13 178.6 0.2 . 1 . . . . A 67 GLU C . 18255 1 657 . 1 1 67 67 GLU CA C 13 59.3 0.2 . 1 . . . . A 67 GLU CA . 18255 1 658 . 1 1 67 67 GLU CB C 13 29.3 0.2 . 1 . . . . A 67 GLU CB . 18255 1 659 . 1 1 67 67 GLU CG C 13 36.3 0.2 . 1 . . . . A 67 GLU CG . 18255 1 660 . 1 1 67 67 GLU N N 15 118.4 0.2 . 1 . . . . A 67 GLU N . 18255 1 661 . 1 1 68 68 GLN H H 1 7.62 0.02 . 1 . . . . A 68 GLN H . 18255 1 662 . 1 1 68 68 GLN HA H 1 4.12 0.02 . 1 . . . . A 68 GLN HA . 18255 1 663 . 1 1 68 68 GLN HB2 H 1 2.15 0.02 . 2 . . . . A 68 GLN HB2 . 18255 1 664 . 1 1 68 68 GLN HB3 H 1 2.15 0.02 . 2 . . . . A 68 GLN HB3 . 18255 1 665 . 1 1 68 68 GLN HG2 H 1 2.49 0.02 . 2 . . . . A 68 GLN HG2 . 18255 1 666 . 1 1 68 68 GLN HG3 H 1 2.37 0.02 . 2 . . . . A 68 GLN HG3 . 18255 1 667 . 1 1 68 68 GLN HE21 H 1 7.48 0.02 . 2 . . . . A 68 GLN HE21 . 18255 1 668 . 1 1 68 68 GLN HE22 H 1 6.80 0.02 . 2 . . . . A 68 GLN HE22 . 18255 1 669 . 1 1 68 68 GLN C C 13 177.4 0.2 . 1 . . . . A 68 GLN C . 18255 1 670 . 1 1 68 68 GLN CA C 13 57.6 0.2 . 1 . . . . A 68 GLN CA . 18255 1 671 . 1 1 68 68 GLN CB C 13 28.6 0.2 . 1 . . . . A 68 GLN CB . 18255 1 672 . 1 1 68 68 GLN CG C 13 33.8 0.2 . 1 . . . . A 68 GLN CG . 18255 1 673 . 1 1 68 68 GLN N N 15 116.4 0.2 . 1 . . . . A 68 GLN N . 18255 1 674 . 1 1 68 68 GLN NE2 N 15 111.2 0.2 . 1 . . . . A 68 GLN NE2 . 18255 1 675 . 1 1 69 69 LEU H H 1 7.90 0.02 . 1 . . . . A 69 LEU H . 18255 1 676 . 1 1 69 69 LEU HA H 1 4.09 0.02 . 1 . . . . A 69 LEU HA . 18255 1 677 . 1 1 69 69 LEU HB2 H 1 1.38 0.02 . 2 . . . . A 69 LEU HB2 . 18255 1 678 . 1 1 69 69 LEU HB3 H 1 1.04 0.02 . 2 . . . . A 69 LEU HB3 . 18255 1 679 . 1 1 69 69 LEU HG H 1 0.35 0.02 . 1 . . . . A 69 LEU HG . 18255 1 680 . 1 1 69 69 LEU HD11 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD11 . 18255 1 681 . 1 1 69 69 LEU HD12 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD12 . 18255 1 682 . 1 1 69 69 LEU HD13 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD13 . 18255 1 683 . 1 1 69 69 LEU HD21 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD21 . 18255 1 684 . 1 1 69 69 LEU HD22 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD22 . 18255 1 685 . 1 1 69 69 LEU HD23 H 1 0.67 0.02 . 2 . . . . A 69 LEU HD23 . 18255 1 686 . 1 1 69 69 LEU C C 13 176.6 0.2 . 1 . . . . A 69 LEU C . 18255 1 687 . 1 1 69 69 LEU CA C 13 56.8 0.2 . 1 . . . . A 69 LEU CA . 18255 1 688 . 1 1 69 69 LEU CB C 13 41.9 0.2 . 1 . . . . A 69 LEU CB . 18255 1 689 . 1 1 69 69 LEU CG C 13 24.9 0.2 . 1 . . . . A 69 LEU CG . 18255 1 690 . 1 1 69 69 LEU CD1 C 13 22.6 0.2 . 2 . . . . A 69 LEU CD1 . 18255 1 691 . 1 1 69 69 LEU CD2 C 13 22.6 0.2 . 2 . . . . A 69 LEU CD2 . 18255 1 692 . 1 1 69 69 LEU N N 15 120.0 0.2 . 1 . . . . A 69 LEU N . 18255 1 693 . 1 1 70 70 TRP H H 1 8.12 0.02 . 1 . . . . A 70 TRP H . 18255 1 694 . 1 1 70 70 TRP HB2 H 1 3.32 0.02 . 2 . . . . A 70 TRP HB2 . 18255 1 695 . 1 1 70 70 TRP HB3 H 1 3.17 0.02 . 2 . . . . A 70 TRP HB3 . 18255 1 696 . 1 1 70 70 TRP HD1 H 1 7.29 0.02 . 1 . . . . A 70 TRP HD1 . 18255 1 697 . 1 1 70 70 TRP HE1 H 1 10.12 0.02 . 1 . . . . A 70 TRP HE1 . 18255 1 698 . 1 1 70 70 TRP HE3 H 1 7.60 0.02 . 1 . . . . A 70 TRP HE3 . 18255 1 699 . 1 1 70 70 TRP HZ2 H 1 7.52 0.02 . 1 . . . . A 70 TRP HZ2 . 18255 1 700 . 1 1 70 70 TRP HZ3 H 1 6.77 0.02 . 1 . . . . A 70 TRP HZ3 . 18255 1 701 . 1 1 70 70 TRP HH2 H 1 7.22 0.2 . 1 . . . . A 70 TRP HH2 . 18255 1 702 . 1 1 70 70 TRP C C 13 177.1 0.2 . 1 . . . . A 70 TRP C . 18255 1 703 . 1 1 70 70 TRP CA C 13 58.0 0.2 . 1 . . . . A 70 TRP CA . 18255 1 704 . 1 1 70 70 TRP CB C 13 29.3 0.2 . 1 . . . . A 70 TRP CB . 18255 1 705 . 1 1 70 70 TRP CD1 C 13 126.0 0.2 . 1 . . . . A 70 TRP CD1 . 18255 1 706 . 1 1 70 70 TRP CZ2 C 13 114.5 0.2 . 1 . . . . A 70 TRP CZ2 . 18255 1 707 . 1 1 70 70 TRP CZ3 C 13 122.5 0.2 . 1 . . . . A 70 TRP CZ3 . 18255 1 708 . 1 1 70 70 TRP CH2 C 13 124.3 0.2 . 1 . . . . A 70 TRP CH2 . 18255 1 709 . 1 1 70 70 TRP N N 15 119.2 0.2 . 1 . . . . A 70 TRP N . 18255 1 710 . 1 1 70 70 TRP NE1 N 15 128.3 0.2 . 1 . . . . A 70 TRP NE1 . 18255 1 711 . 1 1 71 71 THR H H 1 7.96 0.02 . 1 . . . . A 71 THR H . 18255 1 712 . 1 1 71 71 THR HA H 1 4.16 0.02 . 1 . . . . A 71 THR HA . 18255 1 713 . 1 1 71 71 THR HB H 1 4.28 0.02 . 1 . . . . A 71 THR HB . 18255 1 714 . 1 1 71 71 THR HG21 H 1 1.22 0.02 . 1 . . . . A 71 THR HG21 . 18255 1 715 . 1 1 71 71 THR HG22 H 1 1.22 0.02 . 1 . . . . A 71 THR HG22 . 18255 1 716 . 1 1 71 71 THR HG23 H 1 1.22 0.02 . 1 . . . . A 71 THR HG23 . 18255 1 717 . 1 1 71 71 THR C C 13 174.7 0.2 . 1 . . . . A 71 THR C . 18255 1 718 . 1 1 71 71 THR CA C 13 63.7 0.2 . 1 . . . . A 71 THR CA . 18255 1 719 . 1 1 71 71 THR CB C 13 69.5 0.2 . 1 . . . . A 71 THR CB . 18255 1 720 . 1 1 71 71 THR CG2 C 13 21.5 0.2 . 1 . . . . A 71 THR CG2 . 18255 1 721 . 1 1 71 71 THR N N 15 114.5 0.2 . 1 . . . . A 71 THR N . 18255 1 722 . 1 1 72 72 ASP H H 1 8.14 0.02 . 1 . . . . A 72 ASP H . 18255 1 723 . 1 1 72 72 ASP HA H 1 4.56 0.02 . 1 . . . . A 72 ASP HA . 18255 1 724 . 1 1 72 72 ASP HB2 H 1 2.72 0.02 . 2 . . . . A 72 ASP HB2 . 18255 1 725 . 1 1 72 72 ASP HB3 H 1 2.64 0.02 . 2 . . . . A 72 ASP HB3 . 18255 1 726 . 1 1 72 72 ASP CA C 13 55.0 0.2 . 1 . . . . A 72 ASP CA . 18255 1 727 . 1 1 72 72 ASP CB C 13 40.8 0.2 . 1 . . . . A 72 ASP CB . 18255 1 728 . 1 1 72 72 ASP N N 15 120.7 0.2 . 1 . . . . A 72 ASP N . 18255 1 729 . 1 1 74 74 VAL H H 1 7.95 0.02 . 1 . . . . A 74 VAL H . 18255 1 730 . 1 1 74 74 VAL HA H 1 4.34 0.02 . 1 . . . . A 74 VAL HA . 18255 1 731 . 1 1 74 74 VAL HB H 1 2.06 0.02 . 1 . . . . A 74 VAL HB . 18255 1 732 . 1 1 74 74 VAL HG11 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG11 . 18255 1 733 . 1 1 74 74 VAL HG12 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG12 . 18255 1 734 . 1 1 74 74 VAL HG13 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG13 . 18255 1 735 . 1 1 74 74 VAL HG21 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG21 . 18255 1 736 . 1 1 74 74 VAL HG22 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG22 . 18255 1 737 . 1 1 74 74 VAL HG23 H 1 0.92 0.02 . 2 . . . . A 74 VAL HG23 . 18255 1 738 . 1 1 74 74 VAL CA C 13 60.1 0.2 . 1 . . . . A 74 VAL CA . 18255 1 739 . 1 1 74 74 VAL CB C 13 32.5 0.2 . 1 . . . . A 74 VAL CB . 18255 1 740 . 1 1 74 74 VAL CG1 C 13 21.1 0.2 . 2 . . . . A 74 VAL CG1 . 18255 1 741 . 1 1 74 74 VAL CG2 C 13 21.1 0.2 . 2 . . . . A 74 VAL CG2 . 18255 1 742 . 1 1 74 74 VAL N N 15 121.7 0.2 . 1 . . . . A 74 VAL N . 18255 1 743 . 1 1 75 75 PRO HA H 1 4.38 0.02 . 1 . . . . A 75 PRO HA . 18255 1 744 . 1 1 75 75 PRO HB2 H 1 2.33 0.02 . 2 . . . . A 75 PRO HB2 . 18255 1 745 . 1 1 75 75 PRO HB3 H 1 1.89 0.02 . 2 . . . . A 75 PRO HB3 . 18255 1 746 . 1 1 75 75 PRO HG2 H 1 2.00 0.02 . 2 . . . . A 75 PRO HG2 . 18255 1 747 . 1 1 75 75 PRO HG3 H 1 1.94 0.02 . 2 . . . . A 75 PRO HG3 . 18255 1 748 . 1 1 75 75 PRO HD2 H 1 3.87 0.02 . 2 . . . . A 75 PRO HD2 . 18255 1 749 . 1 1 75 75 PRO HD3 H 1 3.56 0.02 . 2 . . . . A 75 PRO HD3 . 18255 1 750 . 1 1 75 75 PRO CA C 13 63.3 0.2 . 1 . . . . A 75 PRO CA . 18255 1 751 . 1 1 75 75 PRO CB C 13 32.2 0.2 . 1 . . . . A 75 PRO CB . 18255 1 752 . 1 1 75 75 PRO CG C 13 27.5 0.2 . 1 . . . . A 75 PRO CG . 18255 1 753 . 1 1 75 75 PRO CD C 13 50.9 0.2 . 1 . . . . A 75 PRO CD . 18255 1 754 . 1 1 76 76 ALA H H 1 8.60 0.02 . 1 . . . . A 76 ALA H . 18255 1 755 . 1 1 76 76 ALA HA H 1 4.14 0.02 . 1 . . . . A 76 ALA HA . 18255 1 756 . 1 1 76 76 ALA HB1 H 1 1.41 0.02 . 1 . . . . A 76 ALA HB1 . 18255 1 757 . 1 1 76 76 ALA HB2 H 1 1.41 0.02 . 1 . . . . A 76 ALA HB2 . 18255 1 758 . 1 1 76 76 ALA HB3 H 1 1.41 0.02 . 1 . . . . A 76 ALA HB3 . 18255 1 759 . 1 1 76 76 ALA C C 13 178.4 0.2 . 1 . . . . A 76 ALA C . 18255 1 760 . 1 1 76 76 ALA CA C 13 53.8 0.2 . 1 . . . . A 76 ALA CA . 18255 1 761 . 1 1 76 76 ALA CB C 13 18.7 0.2 . 1 . . . . A 76 ALA CB . 18255 1 762 . 1 1 76 76 ALA N N 15 124.2 0.2 . 1 . . . . A 76 ALA N . 18255 1 763 . 1 1 77 77 SER H H 1 8.31 0.02 . 1 . . . . A 77 SER H . 18255 1 764 . 1 1 77 77 SER HA H 1 4.34 0.02 . 1 . . . . A 77 SER HA . 18255 1 765 . 1 1 77 77 SER HB2 H 1 3.89 0.02 . 2 . . . . A 77 SER HB2 . 18255 1 766 . 1 1 77 77 SER HB3 H 1 3.89 0.02 . 2 . . . . A 77 SER HB3 . 18255 1 767 . 1 1 77 77 SER C C 13 175.2 0.2 . 1 . . . . A 77 SER C . 18255 1 768 . 1 1 77 77 SER CA C 13 59.2 0.2 . 1 . . . . A 77 SER CA . 18255 1 769 . 1 1 77 77 SER CB C 13 63.2 0.2 . 1 . . . . A 77 SER CB . 18255 1 770 . 1 1 77 77 SER N N 15 112.9 0.2 . 1 . . . . A 77 SER N . 18255 1 771 . 1 1 78 78 VAL H H 1 7.81 0.02 . 1 . . . . A 78 VAL H . 18255 1 772 . 1 1 78 78 VAL HA H 1 4.02 0.02 . 1 . . . . A 78 VAL HA . 18255 1 773 . 1 1 78 78 VAL HB H 1 2.09 0.02 . 1 . . . . A 78 VAL HB . 18255 1 774 . 1 1 78 78 VAL HG11 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG11 . 18255 1 775 . 1 1 78 78 VAL HG12 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG12 . 18255 1 776 . 1 1 78 78 VAL HG13 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG13 . 18255 1 777 . 1 1 78 78 VAL HG21 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG21 . 18255 1 778 . 1 1 78 78 VAL HG22 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG22 . 18255 1 779 . 1 1 78 78 VAL HG23 H 1 0.89 0.02 . 2 . . . . A 78 VAL HG23 . 18255 1 780 . 1 1 78 78 VAL C C 13 176.6 0.2 . 1 . . . . A 78 VAL C . 18255 1 781 . 1 1 78 78 VAL CA C 13 63.4 0.2 . 1 . . . . A 78 VAL CA . 18255 1 782 . 1 1 78 78 VAL CB C 13 32.3 0.2 . 1 . . . . A 78 VAL CB . 18255 1 783 . 1 1 78 78 VAL CG1 C 13 21.0 0.2 . 2 . . . . A 78 VAL CG1 . 18255 1 784 . 1 1 78 78 VAL CG2 C 13 21.0 0.2 . 2 . . . . A 78 VAL CG2 . 18255 1 785 . 1 1 78 78 VAL N N 15 121.7 0.2 . 1 . . . . A 78 VAL N . 18255 1 786 . 1 1 79 79 ARG H H 1 8.10 0.02 . 1 . . . . A 79 ARG H . 18255 1 787 . 1 1 79 79 ARG HA H 1 4.16 0.02 . 1 . . . . A 79 ARG HA . 18255 1 788 . 1 1 79 79 ARG HB2 H 1 1.81 0.02 . 2 . . . . A 79 ARG HB2 . 18255 1 789 . 1 1 79 79 ARG HB3 H 1 1.76 0.02 . 2 . . . . A 79 ARG HB3 . 18255 1 790 . 1 1 79 79 ARG HG2 H 1 1.60 0.02 . 2 . . . . A 79 ARG HG2 . 18255 1 791 . 1 1 79 79 ARG HG3 H 1 1.53 0.02 . 2 . . . . A 79 ARG HG3 . 18255 1 792 . 1 1 79 79 ARG HD2 H 1 3.15 0.02 . 2 . . . . A 79 ARG HD2 . 18255 1 793 . 1 1 79 79 ARG HD3 H 1 3.15 0.02 . 2 . . . . A 79 ARG HD3 . 18255 1 794 . 1 1 79 79 ARG CA C 13 57.3 0.2 . 1 . . . . A 79 ARG CA . 18255 1 795 . 1 1 79 79 ARG CB C 13 30.5 0.2 . 1 . . . . A 79 ARG CB . 18255 1 796 . 1 1 79 79 ARG CG C 13 27.3 0.2 . 1 . . . . A 79 ARG CG . 18255 1 797 . 1 1 79 79 ARG CD C 13 43.3 0.2 . 1 . . . . A 79 ARG CD . 18255 1 798 . 1 1 79 79 ARG N N 15 121.9 0.2 . 1 . . . . A 79 ARG N . 18255 1 799 . 1 1 80 80 GLU H H 1 8.26 0.02 . 1 . . . . A 80 GLU H . 18255 1 800 . 1 1 80 80 GLU HB2 H 1 1.94 0.02 . 2 . . . . A 80 GLU HB2 . 18255 1 801 . 1 1 80 80 GLU HB3 H 1 1.94 0.02 . 2 . . . . A 80 GLU HB3 . 18255 1 802 . 1 1 80 80 GLU CB C 13 30.0 0.2 . 1 . . . . A 80 GLU CB . 18255 1 803 . 1 1 80 80 GLU N N 15 119.6 0.2 . 1 . . . . A 80 GLU N . 18255 1 804 . 1 1 81 81 HIS HA H 1 4.55 0.02 . 1 . . . . A 81 HIS HA . 18255 1 805 . 1 1 81 81 HIS HB2 H 1 3.18 0.02 . 2 . . . . A 81 HIS HB2 . 18255 1 806 . 1 1 81 81 HIS HB3 H 1 3.10 0.02 . 2 . . . . A 81 HIS HB3 . 18255 1 807 . 1 1 81 81 HIS C C 13 175.6 0.2 . 1 . . . . A 81 HIS C . 18255 1 808 . 1 1 81 81 HIS CA C 13 56.2 0.2 . 1 . . . . A 81 HIS CA . 18255 1 809 . 1 1 81 81 HIS CB C 13 30.4 0.2 . 1 . . . . A 81 HIS CB . 18255 1 810 . 1 1 82 82 LEU H H 1 8.12 0.02 . 1 . . . . A 82 LEU H . 18255 1 811 . 1 1 82 82 LEU HA H 1 4.26 0.02 . 1 . . . . A 82 LEU HA . 18255 1 812 . 1 1 82 82 LEU HB2 H 1 1.66 0.02 . 2 . . . . A 82 LEU HB2 . 18255 1 813 . 1 1 82 82 LEU HB3 H 1 1.53 0.02 . 2 . . . . A 82 LEU HB3 . 18255 1 814 . 1 1 82 82 LEU HD11 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD11 . 18255 1 815 . 1 1 82 82 LEU HD12 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD12 . 18255 1 816 . 1 1 82 82 LEU HD13 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD13 . 18255 1 817 . 1 1 82 82 LEU HD21 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD21 . 18255 1 818 . 1 1 82 82 LEU HD22 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD22 . 18255 1 819 . 1 1 82 82 LEU HD23 H 1 0.85 0.02 . 2 . . . . A 82 LEU HD23 . 18255 1 820 . 1 1 82 82 LEU C C 13 177.2 0.2 . 1 . . . . A 82 LEU C . 18255 1 821 . 1 1 82 82 LEU CA C 13 55.6 0.2 . 1 . . . . A 82 LEU CA . 18255 1 822 . 1 1 82 82 LEU CB C 13 42.1 0.2 . 1 . . . . A 82 LEU CB . 18255 1 823 . 1 1 82 82 LEU CG C 13 27.1 0.2 . 1 . . . . A 82 LEU CG . 18255 1 824 . 1 1 82 82 LEU CD1 C 13 25.1 0.2 . 2 . . . . A 82 LEU CD1 . 18255 1 825 . 1 1 82 82 LEU CD2 C 13 25.1 0.2 . 2 . . . . A 82 LEU CD2 . 18255 1 826 . 1 1 82 82 LEU N N 15 121.5 0.2 . 1 . . . . A 82 LEU N . 18255 1 827 . 1 1 83 83 ASN H H 1 8.40 0.02 . 1 . . . . A 83 ASN H . 18255 1 828 . 1 1 83 83 ASN HA H 1 4.64 0.02 . 1 . . . . A 83 ASN HA . 18255 1 829 . 1 1 83 83 ASN HB2 H 1 2.84 0.02 . 2 . . . . A 83 ASN HB2 . 18255 1 830 . 1 1 83 83 ASN HB3 H 1 2.76 0.02 . 2 . . . . A 83 ASN HB3 . 18255 1 831 . 1 1 83 83 ASN HD21 H 1 7.64 0.02 . 2 . . . . A 83 ASN HD21 . 18255 1 832 . 1 1 83 83 ASN HD22 H 1 6.94 0.02 . 2 . . . . A 83 ASN HD22 . 18255 1 833 . 1 1 83 83 ASN CA C 13 53.5 0.2 . 1 . . . . A 83 ASN CA . 18255 1 834 . 1 1 83 83 ASN CB C 13 38.6 0.2 . 1 . . . . A 83 ASN CB . 18255 1 835 . 1 1 83 83 ASN N N 15 118.3 0.2 . 1 . . . . A 83 ASN N . 18255 1 836 . 1 1 83 83 ASN ND2 N 15 112.6 0.2 . 1 . . . . A 83 ASN ND2 . 18255 1 837 . 1 1 85 85 HIS C C 13 174.9 0.2 . 1 . . . . A 85 HIS C . 18255 1 838 . 1 1 85 85 HIS CA C 13 56.3 0.2 . 1 . . . . A 85 HIS CA . 18255 1 839 . 1 1 85 85 HIS CB C 13 30.6 0.2 . 1 . . . . A 85 HIS CB . 18255 1 840 . 1 1 86 86 SER H H 1 8.22 0.02 . 1 . . . . A 86 SER H . 18255 1 841 . 1 1 86 86 SER C C 13 174.1 0.2 . 1 . . . . A 86 SER C . 18255 1 842 . 1 1 86 86 SER CA C 13 58.4 0.2 . 1 . . . . A 86 SER CA . 18255 1 843 . 1 1 86 86 SER CB C 13 64.3 0.2 . 1 . . . . A 86 SER CB . 18255 1 844 . 1 1 86 86 SER N N 15 116.7 0.2 . 1 . . . . A 86 SER N . 18255 1 845 . 1 1 87 87 GLY H H 1 8.31 0.02 . 1 . . . . A 87 GLY H . 18255 1 846 . 1 1 87 87 GLY HA2 H 1 4.14 0.02 . 2 . . . . A 87 GLY HA2 . 18255 1 847 . 1 1 87 87 GLY HA3 H 1 4.06 0.02 . 2 . . . . A 87 GLY HA3 . 18255 1 848 . 1 1 87 87 GLY CA C 13 44.5 0.2 . 1 . . . . A 87 GLY CA . 18255 1 849 . 1 1 87 87 GLY N N 15 110.4 0.2 . 1 . . . . A 87 GLY N . 18255 1 850 . 1 1 88 88 PRO HA H 1 4.37 0.02 . 1 . . . . A 88 PRO HA . 18255 1 851 . 1 1 88 88 PRO HB2 H 1 2.13 0.02 . 2 . . . . A 88 PRO HB2 . 18255 1 852 . 1 1 88 88 PRO HB3 H 1 1.88 0.02 . 2 . . . . A 88 PRO HB3 . 18255 1 853 . 1 1 88 88 PRO HD2 H 1 3.53 0.02 . 2 . . . . A 88 PRO HD2 . 18255 1 854 . 1 1 88 88 PRO HD3 H 1 3.53 0.02 . 2 . . . . A 88 PRO HD3 . 18255 1 855 . 1 1 88 88 PRO C C 13 177.4 0.2 . 1 . . . . A 88 PRO C . 18255 1 856 . 1 1 88 88 PRO CA C 13 63.2 0.2 . 1 . . . . A 88 PRO CA . 18255 1 857 . 1 1 88 88 PRO CB C 13 32.0 0.2 . 1 . . . . A 88 PRO CB . 18255 1 858 . 1 1 88 88 PRO CG C 13 27.2 0.2 . 1 . . . . A 88 PRO CG . 18255 1 859 . 1 1 88 88 PRO CD C 13 49.6 0.2 . 1 . . . . A 88 PRO CD . 18255 1 860 . 1 1 89 89 GLY H H 1 8.50 0.02 . 1 . . . . A 89 GLY H . 18255 1 861 . 1 1 89 89 GLY HA2 H 1 3.93 0.02 . 2 . . . . A 89 GLY HA2 . 18255 1 862 . 1 1 89 89 GLY HA3 H 1 3.93 0.02 . 2 . . . . A 89 GLY HA3 . 18255 1 863 . 1 1 89 89 GLY C C 13 173.8 0.2 . 1 . . . . A 89 GLY C . 18255 1 864 . 1 1 89 89 GLY CA C 13 45.2 0.2 . 1 . . . . A 89 GLY CA . 18255 1 865 . 1 1 89 89 GLY N N 15 109.3 0.2 . 1 . . . . A 89 GLY N . 18255 1 866 . 1 1 90 90 ILE H H 1 7.91 0.02 . 1 . . . . A 90 ILE H . 18255 1 867 . 1 1 90 90 ILE HA H 1 4.08 0.02 . 1 . . . . A 90 ILE HA . 18255 1 868 . 1 1 90 90 ILE HB H 1 1.70 0.02 . 1 . . . . A 90 ILE HB . 18255 1 869 . 1 1 90 90 ILE HG12 H 1 1.30 0.02 . 2 . . . . A 90 ILE HG12 . 18255 1 870 . 1 1 90 90 ILE HG13 H 1 1.03 0.02 . 2 . . . . A 90 ILE HG13 . 18255 1 871 . 1 1 90 90 ILE HG21 H 1 0.67 0.02 . 1 . . . . A 90 ILE HG21 . 18255 1 872 . 1 1 90 90 ILE HG22 H 1 0.67 0.02 . 1 . . . . A 90 ILE HG22 . 18255 1 873 . 1 1 90 90 ILE HG23 H 1 0.67 0.02 . 1 . . . . A 90 ILE HG23 . 18255 1 874 . 1 1 90 90 ILE HD11 H 1 0.73 0.02 . 1 . . . . A 90 ILE HD11 . 18255 1 875 . 1 1 90 90 ILE HD12 H 1 0.73 0.02 . 1 . . . . A 90 ILE HD12 . 18255 1 876 . 1 1 90 90 ILE HD13 H 1 0.73 0.02 . 1 . . . . A 90 ILE HD13 . 18255 1 877 . 1 1 90 90 ILE C C 13 175.4 0.2 . 1 . . . . A 90 ILE C . 18255 1 878 . 1 1 90 90 ILE CA C 13 61.0 0.2 . 1 . . . . A 90 ILE CA . 18255 1 879 . 1 1 90 90 ILE CB C 13 38.9 0.2 . 1 . . . . A 90 ILE CB . 18255 1 880 . 1 1 90 90 ILE CG1 C 13 27.1 0.2 . 1 . . . . A 90 ILE CG1 . 18255 1 881 . 1 1 90 90 ILE CG2 C 13 17.3 0.2 . 1 . . . . A 90 ILE CG2 . 18255 1 882 . 1 1 90 90 ILE CD1 C 13 12.9 0.2 . 1 . . . . A 90 ILE CD1 . 18255 1 883 . 1 1 90 90 ILE N N 15 119.6 0.2 . 1 . . . . A 90 ILE N . 18255 1 884 . 1 1 91 91 ASP H H 1 8.35 0.02 . 1 . . . . A 91 ASP H . 18255 1 885 . 1 1 91 91 ASP HA H 1 4.57 0.02 . 1 . . . . A 91 ASP HA . 18255 1 886 . 1 1 91 91 ASP HB2 H 1 2.64 0.02 . 2 . . . . A 91 ASP HB2 . 18255 1 887 . 1 1 91 91 ASP HB3 H 1 2.51 0.02 . 2 . . . . A 91 ASP HB3 . 18255 1 888 . 1 1 91 91 ASP C C 13 175.7 0.2 . 1 . . . . A 91 ASP C . 18255 1 889 . 1 1 91 91 ASP CA C 13 53.9 0.2 . 1 . . . . A 91 ASP CA . 18255 1 890 . 1 1 91 91 ASP CB C 13 41.1 0.2 . 1 . . . . A 91 ASP CB . 18255 1 891 . 1 1 91 91 ASP N N 15 123.4 0.2 . 1 . . . . A 91 ASP N . 18255 1 892 . 1 1 92 92 TYR H H 1 8.05 0.02 . 1 . . . . A 92 TYR H . 18255 1 893 . 1 1 92 92 TYR HA H 1 4.46 0.02 . 1 . . . . A 92 TYR HA . 18255 1 894 . 1 1 92 92 TYR HB2 H 1 3.07 0.02 . 2 . . . . A 92 TYR HB2 . 18255 1 895 . 1 1 92 92 TYR HB3 H 1 2.89 0.02 . 2 . . . . A 92 TYR HB3 . 18255 1 896 . 1 1 92 92 TYR HD1 H 1 7.11 0.02 . 3 . . . . A 92 TYR HD1 . 18255 1 897 . 1 1 92 92 TYR HD2 H 1 7.11 0.02 . 3 . . . . A 92 TYR HD2 . 18255 1 898 . 1 1 92 92 TYR HE1 H 1 6.81 0.02 . 3 . . . . A 92 TYR HE1 . 18255 1 899 . 1 1 92 92 TYR HE2 H 1 6.81 0.02 . 3 . . . . A 92 TYR HE2 . 18255 1 900 . 1 1 92 92 TYR C C 13 175.2 0.2 . 1 . . . . A 92 TYR C . 18255 1 901 . 1 1 92 92 TYR CA C 13 58.0 0.2 . 1 . . . . A 92 TYR CA . 18255 1 902 . 1 1 92 92 TYR CB C 13 38.6 0.2 . 1 . . . . A 92 TYR CB . 18255 1 903 . 1 1 92 92 TYR CD1 C 13 133.2 0.2 . 3 . . . . A 92 TYR CD1 . 18255 1 904 . 1 1 92 92 TYR CD2 C 13 133.2 0.2 . 3 . . . . A 92 TYR CD2 . 18255 1 905 . 1 1 92 92 TYR CE1 C 13 118.1 0.2 . 3 . . . . A 92 TYR CE1 . 18255 1 906 . 1 1 92 92 TYR CE2 C 13 118.1 0.2 . 3 . . . . A 92 TYR CE2 . 18255 1 907 . 1 1 92 92 TYR N N 15 120.8 0.2 . 1 . . . . A 92 TYR N . 18255 1 908 . 1 1 93 93 ALA H H 1 8.17 0.02 . 1 . . . . A 93 ALA H . 18255 1 909 . 1 1 93 93 ALA HA H 1 4.30 0.02 . 1 . . . . A 93 ALA HA . 18255 1 910 . 1 1 93 93 ALA HB1 H 1 1.33 0.02 . 1 . . . . A 93 ALA HB1 . 18255 1 911 . 1 1 93 93 ALA HB2 H 1 1.33 0.02 . 1 . . . . A 93 ALA HB2 . 18255 1 912 . 1 1 93 93 ALA HB3 H 1 1.33 0.02 . 1 . . . . A 93 ALA HB3 . 18255 1 913 . 1 1 93 93 ALA C C 13 177.1 0.2 . 1 . . . . A 93 ALA C . 18255 1 914 . 1 1 93 93 ALA CA C 13 52.4 0.2 . 1 . . . . A 93 ALA CA . 18255 1 915 . 1 1 93 93 ALA CB C 13 19.3 0.2 . 1 . . . . A 93 ALA CB . 18255 1 916 . 1 1 93 93 ALA N N 15 124.7 0.2 . 1 . . . . A 93 ALA N . 18255 1 917 . 1 1 94 94 VAL H H 1 8.00 0.02 . 1 . . . . A 94 VAL H . 18255 1 918 . 1 1 94 94 VAL HA H 1 4.05 0.02 . 1 . . . . A 94 VAL HA . 18255 1 919 . 1 1 94 94 VAL HB H 1 2.03 0.02 . 1 . . . . A 94 VAL HB . 18255 1 920 . 1 1 94 94 VAL HG11 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG11 . 18255 1 921 . 1 1 94 94 VAL HG12 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG12 . 18255 1 922 . 1 1 94 94 VAL HG13 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG13 . 18255 1 923 . 1 1 94 94 VAL HG21 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG21 . 18255 1 924 . 1 1 94 94 VAL HG22 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG22 . 18255 1 925 . 1 1 94 94 VAL HG23 H 1 0.91 0.02 . 2 . . . . A 94 VAL HG23 . 18255 1 926 . 1 1 94 94 VAL C C 13 175.1 0.2 . 1 . . . . A 94 VAL C . 18255 1 927 . 1 1 94 94 VAL CA C 13 62.4 0.2 . 1 . . . . A 94 VAL CA . 18255 1 928 . 1 1 94 94 VAL CB C 13 32.3 0.2 . 1 . . . . A 94 VAL CB . 18255 1 929 . 1 1 94 94 VAL CG1 C 13 20.5 0.2 . 2 . . . . A 94 VAL CG1 . 18255 1 930 . 1 1 94 94 VAL CG2 C 13 20.5 0.2 . 2 . . . . A 94 VAL CG2 . 18255 1 931 . 1 1 94 94 VAL N N 15 119.4 0.2 . 1 . . . . A 94 VAL N . 18255 1 932 . 1 1 95 95 ARG H H 1 7.94 0.02 . 1 . . . . A 95 ARG H . 18255 1 933 . 1 1 95 95 ARG HA H 1 4.18 0.02 . 1 . . . . A 95 ARG HA . 18255 1 934 . 1 1 95 95 ARG HB2 H 1 1.82 0.02 . 2 . . . . A 95 ARG HB2 . 18255 1 935 . 1 1 95 95 ARG HB3 H 1 1.69 0.02 . 2 . . . . A 95 ARG HB3 . 18255 1 936 . 1 1 95 95 ARG HD2 H 1 3.15 0.02 . 2 . . . . A 95 ARG HD2 . 18255 1 937 . 1 1 95 95 ARG HD3 H 1 3.15 0.02 . 2 . . . . A 95 ARG HD3 . 18255 1 938 . 1 1 95 95 ARG CA C 13 57.2 0.2 . 1 . . . . A 95 ARG CA . 18255 1 939 . 1 1 95 95 ARG CB C 13 31.6 0.2 . 1 . . . . A 95 ARG CB . 18255 1 940 . 1 1 95 95 ARG N N 15 129.7 0.2 . 1 . . . . A 95 ARG N . 18255 1 stop_ save_