data_25464 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25464 _Entry.Title ; Solution structure of an MbtH-like protein from Mycobacterium marinum. Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-02 _Entry.Accession_date 2015-02-02 _Entry.Last_release_date 2015-03-30 _Entry.Original_release_date 2015-03-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 25464 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 SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 25464 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'infectious diseases' . 25464 tuberculosis . 25464 'siderophore assembly' . 25464 mycobactin . 25464 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25464 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 412 25464 '13C chemical shifts' 267 25464 '15N chemical shifts' 65 25464 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 . . 2015-03-30 2015-02-02 original author . 25464 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MYY 'BMRB Entry Tracking System' 25464 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25464 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24878278 _Citation.Full_citation . _Citation.Title 'Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full . _Citation.Journal_volume 104 _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 61 _Citation.Page_last 69 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yanfeng Zhang . . . 25464 1 2 Yi Zheng . . . 25464 1 3 Ling Qin . . . 25464 1 4 Shihua Wang . . . 25464 1 5 Garry Buchko . W. . 25464 1 6 'R. Michael' Garavito . . . 25464 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25464 _Assembly.ID 1 _Assembly.Name 'MbtH-like protein from Mycobacterium marinum' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25464 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25464 _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 ; GPGSMKIMSDNPFDDEDGMF FVLINDEEQHSLWPTFADVP AGWRVVFGEASRASCVEYVD QHWTDIRPKSLREKLASGQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _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 9012.041 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MYY . "Solution Structure Of An Mbth-like Protein From Mycobacterium Marinum, Seattle Structural Genomics Center For Infectious Diseas" . . . . . 100.00 80 100.00 100.00 9.66e-52 . . . . 25464 1 2 no EMBL CDM77311 . "conserved hypothetical MbtH-like protein [Mycobacterium marinum E11]" . . . . . 95.00 76 100.00 100.00 1.30e-48 . . . . 25464 1 3 no GB ACC41692 . "conserved hypothetical MbtH-like protein [Mycobacterium marinum M]" . . . . . 95.00 76 100.00 100.00 1.30e-48 . . . . 25464 1 4 no GB EPQ77034 . "MbtH protein [Mycobacterium marinum MB2]" . . . . . 91.25 73 100.00 100.00 3.10e-46 . . . . 25464 1 5 no GB EPQ80949 . "MbtH protein [Mycobacterium marinum str. Europe]" . . . . . 91.25 73 100.00 100.00 3.10e-46 . . . . 25464 1 6 no REF WP_020725647 . "MbtH protein [Mycobacterium marinum]" . . . . . 91.25 73 100.00 100.00 3.10e-46 . . . . 25464 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25464 1 2 2 PRO . 25464 1 3 3 GLY . 25464 1 4 4 SER . 25464 1 5 5 MET . 25464 1 6 6 LYS . 25464 1 7 7 ILE . 25464 1 8 8 MET . 25464 1 9 9 SER . 25464 1 10 10 ASP . 25464 1 11 11 ASN . 25464 1 12 12 PRO . 25464 1 13 13 PHE . 25464 1 14 14 ASP . 25464 1 15 15 ASP . 25464 1 16 16 GLU . 25464 1 17 17 ASP . 25464 1 18 18 GLY . 25464 1 19 19 MET . 25464 1 20 20 PHE . 25464 1 21 21 PHE . 25464 1 22 22 VAL . 25464 1 23 23 LEU . 25464 1 24 24 ILE . 25464 1 25 25 ASN . 25464 1 26 26 ASP . 25464 1 27 27 GLU . 25464 1 28 28 GLU . 25464 1 29 29 GLN . 25464 1 30 30 HIS . 25464 1 31 31 SER . 25464 1 32 32 LEU . 25464 1 33 33 TRP . 25464 1 34 34 PRO . 25464 1 35 35 THR . 25464 1 36 36 PHE . 25464 1 37 37 ALA . 25464 1 38 38 ASP . 25464 1 39 39 VAL . 25464 1 40 40 PRO . 25464 1 41 41 ALA . 25464 1 42 42 GLY . 25464 1 43 43 TRP . 25464 1 44 44 ARG . 25464 1 45 45 VAL . 25464 1 46 46 VAL . 25464 1 47 47 PHE . 25464 1 48 48 GLY . 25464 1 49 49 GLU . 25464 1 50 50 ALA . 25464 1 51 51 SER . 25464 1 52 52 ARG . 25464 1 53 53 ALA . 25464 1 54 54 SER . 25464 1 55 55 CYS . 25464 1 56 56 VAL . 25464 1 57 57 GLU . 25464 1 58 58 TYR . 25464 1 59 59 VAL . 25464 1 60 60 ASP . 25464 1 61 61 GLN . 25464 1 62 62 HIS . 25464 1 63 63 TRP . 25464 1 64 64 THR . 25464 1 65 65 ASP . 25464 1 66 66 ILE . 25464 1 67 67 ARG . 25464 1 68 68 PRO . 25464 1 69 69 LYS . 25464 1 70 70 SER . 25464 1 71 71 LEU . 25464 1 72 72 ARG . 25464 1 73 73 GLU . 25464 1 74 74 LYS . 25464 1 75 75 LEU . 25464 1 76 76 ALA . 25464 1 77 77 SER . 25464 1 78 78 GLY . 25464 1 79 79 GLN . 25464 1 80 80 GLY . 25464 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25464 1 . PRO 2 2 25464 1 . GLY 3 3 25464 1 . SER 4 4 25464 1 . MET 5 5 25464 1 . LYS 6 6 25464 1 . ILE 7 7 25464 1 . MET 8 8 25464 1 . SER 9 9 25464 1 . ASP 10 10 25464 1 . ASN 11 11 25464 1 . PRO 12 12 25464 1 . PHE 13 13 25464 1 . ASP 14 14 25464 1 . ASP 15 15 25464 1 . GLU 16 16 25464 1 . ASP 17 17 25464 1 . GLY 18 18 25464 1 . MET 19 19 25464 1 . PHE 20 20 25464 1 . PHE 21 21 25464 1 . VAL 22 22 25464 1 . LEU 23 23 25464 1 . ILE 24 24 25464 1 . ASN 25 25 25464 1 . ASP 26 26 25464 1 . GLU 27 27 25464 1 . GLU 28 28 25464 1 . GLN 29 29 25464 1 . HIS 30 30 25464 1 . SER 31 31 25464 1 . LEU 32 32 25464 1 . TRP 33 33 25464 1 . PRO 34 34 25464 1 . THR 35 35 25464 1 . PHE 36 36 25464 1 . ALA 37 37 25464 1 . ASP 38 38 25464 1 . VAL 39 39 25464 1 . PRO 40 40 25464 1 . ALA 41 41 25464 1 . GLY 42 42 25464 1 . TRP 43 43 25464 1 . ARG 44 44 25464 1 . VAL 45 45 25464 1 . VAL 46 46 25464 1 . PHE 47 47 25464 1 . GLY 48 48 25464 1 . GLU 49 49 25464 1 . ALA 50 50 25464 1 . SER 51 51 25464 1 . ARG 52 52 25464 1 . ALA 53 53 25464 1 . SER 54 54 25464 1 . CYS 55 55 25464 1 . VAL 56 56 25464 1 . GLU 57 57 25464 1 . TYR 58 58 25464 1 . VAL 59 59 25464 1 . ASP 60 60 25464 1 . GLN 61 61 25464 1 . HIS 62 62 25464 1 . TRP 63 63 25464 1 . THR 64 64 25464 1 . ASP 65 65 25464 1 . ILE 66 66 25464 1 . ARG 67 67 25464 1 . PRO 68 68 25464 1 . LYS 69 69 25464 1 . SER 70 70 25464 1 . LEU 71 71 25464 1 . ARG 72 72 25464 1 . GLU 73 73 25464 1 . LYS 74 74 25464 1 . LEU 75 75 25464 1 . ALA 76 76 25464 1 . SER 77 77 25464 1 . GLY 78 78 25464 1 . GLN 79 79 25464 1 . GLY 80 80 25464 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 25464 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1348799 organism . 'Mycobacterium marinum' 'high GC Gram+ bacteria' . . Bacteria . Mycobacterium marinum BAA-535 . . . . . . . . . . . . . . . B2HHJ4 . . . . 25464 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 25464 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-R3-pRARE2 . . . . . . . . . . . . . . . AVA0421 . . . . . . 25464 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25464 _Sample.ID 1 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM 0.2 . . . 25464 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 25464 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 25464 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 25464 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25464 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25464 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25464 _Sample.ID 2 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM 0.2 . . . 25464 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 25464 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 25464 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 25464 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25464 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 25464 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 293 . K 25464 1 pH 7 . pH 25464 1 pressure 1 . atm 25464 1 'ionic strength' 0.12 . M 25464 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25464 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25464 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25464 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25464 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25464 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25464 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25464 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25464 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25464 3 'peak picking' 25464 3 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25464 _Software.ID 4 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25464 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25464 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25464 _Software.ID 5 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25464 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25464 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 25464 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _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 25464 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _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 25464 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent VNMRS . 800 . . . 25464 1 2 spectrometer_2 Agilent VNMRS . 600 . . . 25464 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 25464 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25464 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25464 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25464 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 8 'D2O exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 9 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25464 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 25464 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25464 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25464 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25464 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 25464 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 25464 1 2 '3D 1H-13C NOESY aromatic' . . . 25464 1 4 '3D C(CO)NH' . . . 25464 1 6 '3D HNCACB' . . . 25464 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 25464 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.46 0.02 . 1 . . . A 2 PRO HA . 25464 1 2 . 1 1 2 2 PRO HB2 H 1 2.27 0.02 . 2 . . . A 2 PRO HB2 . 25464 1 3 . 1 1 2 2 PRO HB3 H 1 1.95 0.02 . 2 . . . A 2 PRO HB3 . 25464 1 4 . 1 1 2 2 PRO HG2 H 1 2.01 0.02 . 2 . . . A 2 PRO HG2 . 25464 1 5 . 1 1 2 2 PRO HG3 H 1 1.97 0.02 . 2 . . . A 2 PRO HG3 . 25464 1 6 . 1 1 2 2 PRO HD2 H 1 3.60 0.02 . 2 . . . A 2 PRO HD2 . 25464 1 7 . 1 1 2 2 PRO HD3 H 1 3.53 0.02 . 2 . . . A 2 PRO HD3 . 25464 1 8 . 1 1 2 2 PRO CA C 13 63.4 0.2 . 1 . . . A 2 PRO CA . 25464 1 9 . 1 1 2 2 PRO CB C 13 32.1 0.2 . 1 . . . A 2 PRO CB . 25464 1 10 . 1 1 2 2 PRO CG C 13 26.9 0.2 . 1 . . . A 2 PRO CG . 25464 1 11 . 1 1 2 2 PRO CD C 13 49.5 0.2 . 1 . . . A 2 PRO CD . 25464 1 12 . 1 1 3 3 GLY CA C 13 45.1 0.2 . 1 . . . A 3 GLY CA . 25464 1 13 . 1 1 10 10 ASP H H 1 8.42 0.02 . 1 . . . A 10 ASP H . 25464 1 14 . 1 1 10 10 ASP HA H 1 4.60 0.02 . 1 . . . A 10 ASP HA . 25464 1 15 . 1 1 10 10 ASP HB2 H 1 2.68 0.02 . 2 . . . A 10 ASP HB2 . 25464 1 16 . 1 1 10 10 ASP HB3 H 1 2.63 0.02 . 2 . . . A 10 ASP HB3 . 25464 1 17 . 1 1 10 10 ASP C C 13 175.3 0.2 . 1 . . . A 10 ASP C . 25464 1 18 . 1 1 10 10 ASP CA C 13 54.5 0.2 . 1 . . . A 10 ASP CA . 25464 1 19 . 1 1 10 10 ASP CB C 13 40.9 0.2 . 1 . . . A 10 ASP CB . 25464 1 20 . 1 1 10 10 ASP N N 15 121.5 0.2 . 1 . . . A 10 ASP N . 25464 1 21 . 1 1 11 11 ASN H H 1 8.27 0.02 . 1 . . . A 11 ASN H . 25464 1 22 . 1 1 11 11 ASN HA H 1 4.95 0.02 . 1 . . . A 11 ASN HA . 25464 1 23 . 1 1 11 11 ASN HB2 H 1 2.83 0.02 . 2 . . . A 11 ASN HB2 . 25464 1 24 . 1 1 11 11 ASN HB3 H 1 2.64 0.02 . 2 . . . A 11 ASN HB3 . 25464 1 25 . 1 1 11 11 ASN HD21 H 1 7.63 0.02 . 2 . . . A 11 ASN HD21 . 25464 1 26 . 1 1 11 11 ASN HD22 H 1 6.99 0.02 . 2 . . . A 11 ASN HD22 . 25464 1 27 . 1 1 11 11 ASN CA C 13 50.8 0.2 . 1 . . . A 11 ASN CA . 25464 1 28 . 1 1 11 11 ASN CB C 13 39.1 0.2 . 1 . . . A 11 ASN CB . 25464 1 29 . 1 1 11 11 ASN N N 15 118.4 0.2 . 1 . . . A 11 ASN N . 25464 1 30 . 1 1 11 11 ASN ND2 N 15 112.6 0.2 . 1 . . . A 11 ASN ND2 . 25464 1 31 . 1 1 12 12 PRO HA H 1 4.38 0.02 . 1 . . . A 12 PRO HA . 25464 1 32 . 1 1 12 12 PRO HB2 H 1 2.17 0.02 . 2 . . . A 12 PRO HB2 . 25464 1 33 . 1 1 12 12 PRO HB3 H 1 1.62 0.02 . 2 . . . A 12 PRO HB3 . 25464 1 34 . 1 1 12 12 PRO HG2 H 1 1.91 0.02 . 2 . . . A 12 PRO HG2 . 25464 1 35 . 1 1 12 12 PRO HG3 H 1 1.65 0.02 . 2 . . . A 12 PRO HG3 . 25464 1 36 . 1 1 12 12 PRO HD2 H 1 3.74 0.02 . 2 . . . A 12 PRO HD2 . 25464 1 37 . 1 1 12 12 PRO HD3 H 1 3.68 0.02 . 2 . . . A 12 PRO HD3 . 25464 1 38 . 1 1 12 12 PRO C C 13 177.1 0.2 . 1 . . . A 12 PRO C . 25464 1 39 . 1 1 12 12 PRO CA C 13 63.7 0.2 . 1 . . . A 12 PRO CA . 25464 1 40 . 1 1 12 12 PRO CB C 13 31.9 0.2 . 1 . . . A 12 PRO CB . 25464 1 41 . 1 1 12 12 PRO CG C 13 26.8 0.2 . 1 . . . A 12 PRO CG . 25464 1 42 . 1 1 12 12 PRO CD C 13 50.6 0.2 . 1 . . . A 12 PRO CD . 25464 1 43 . 1 1 13 13 PHE H H 1 8.12 0.02 . 1 . . . A 13 PHE H . 25464 1 44 . 1 1 13 13 PHE HA H 1 4.50 0.02 . 1 . . . A 13 PHE HA . 25464 1 45 . 1 1 13 13 PHE HB2 H 1 3.16 0.02 . 2 . . . A 13 PHE HB2 . 25464 1 46 . 1 1 13 13 PHE HB3 H 1 2.99 0.02 . 2 . . . A 13 PHE HB3 . 25464 1 47 . 1 1 13 13 PHE HD1 H 1 7.24 0.02 . 3 . . . A 13 PHE HD1 . 25464 1 48 . 1 1 13 13 PHE HD2 H 1 7.24 0.02 . 3 . . . A 13 PHE HD2 . 25464 1 49 . 1 1 13 13 PHE C C 13 175.7 0.2 . 1 . . . A 13 PHE C . 25464 1 50 . 1 1 13 13 PHE CA C 13 58.3 0.2 . 1 . . . A 13 PHE CA . 25464 1 51 . 1 1 13 13 PHE CB C 13 38.7 0.2 . 1 . . . A 13 PHE CB . 25464 1 52 . 1 1 13 13 PHE CD1 C 13 131.8 0.2 . 3 . . . A 13 PHE CD1 . 25464 1 53 . 1 1 13 13 PHE CD2 C 13 131.8 0.2 . 3 . . . A 13 PHE CD2 . 25464 1 54 . 1 1 13 13 PHE N N 15 117.5 0.2 . 1 . . . A 13 PHE N . 25464 1 55 . 1 1 14 14 ASP H H 1 8.01 0.02 . 1 . . . A 14 ASP H . 25464 1 56 . 1 1 14 14 ASP HA H 1 4.62 0.02 . 1 . . . A 14 ASP HA . 25464 1 57 . 1 1 14 14 ASP HB2 H 1 2.75 0.02 . 2 . . . A 14 ASP HB2 . 25464 1 58 . 1 1 14 14 ASP HB3 H 1 2.60 0.02 . 2 . . . A 14 ASP HB3 . 25464 1 59 . 1 1 14 14 ASP C C 13 175.8 0.2 . 1 . . . A 14 ASP C . 25464 1 60 . 1 1 14 14 ASP CA C 13 54.4 0.2 . 1 . . . A 14 ASP CA . 25464 1 61 . 1 1 14 14 ASP CB C 13 41.4 0.2 . 1 . . . A 14 ASP CB . 25464 1 62 . 1 1 14 14 ASP N N 15 120.0 0.2 . 1 . . . A 14 ASP N . 25464 1 63 . 1 1 15 15 ASP H H 1 7.90 0.02 . 1 . . . A 15 ASP H . 25464 1 64 . 1 1 15 15 ASP HA H 1 4.61 0.02 . 1 . . . A 15 ASP HA . 25464 1 65 . 1 1 15 15 ASP HB2 H 1 2.83 0.02 . 2 . . . A 15 ASP HB2 . 25464 1 66 . 1 1 15 15 ASP HB3 H 1 2.66 0.02 . 2 . . . A 15 ASP HB3 . 25464 1 67 . 1 1 15 15 ASP C C 13 176.7 0.2 . 1 . . . A 15 ASP C . 25464 1 68 . 1 1 15 15 ASP CA C 13 54.5 0.2 . 1 . . . A 15 ASP CA . 25464 1 69 . 1 1 15 15 ASP CB C 13 41.2 0.2 . 1 . . . A 15 ASP CB . 25464 1 70 . 1 1 15 15 ASP N N 15 119.9 0.2 . 1 . . . A 15 ASP N . 25464 1 71 . 1 1 16 16 GLU H H 1 8.61 0.02 . 1 . . . A 16 GLU H . 25464 1 72 . 1 1 16 16 GLU HA H 1 4.23 0.02 . 1 . . . A 16 GLU HA . 25464 1 73 . 1 1 16 16 GLU HB2 H 1 2.16 0.02 . 2 . . . A 16 GLU HB2 . 25464 1 74 . 1 1 16 16 GLU HB3 H 1 2.02 0.02 . 2 . . . A 16 GLU HB3 . 25464 1 75 . 1 1 16 16 GLU HG2 H 1 2.36 0.02 . 2 . . . A 16 GLU HG2 . 25464 1 76 . 1 1 16 16 GLU HG3 H 1 2.29 0.02 . 2 . . . A 16 GLU HG3 . 25464 1 77 . 1 1 16 16 GLU C C 13 176.6 0.2 . 1 . . . A 16 GLU C . 25464 1 78 . 1 1 16 16 GLU CA C 13 57.4 0.2 . 1 . . . A 16 GLU CA . 25464 1 79 . 1 1 16 16 GLU CB C 13 30.1 0.2 . 1 . . . A 16 GLU CB . 25464 1 80 . 1 1 16 16 GLU CG C 13 36.2 0.2 . 1 . . . A 16 GLU CG . 25464 1 81 . 1 1 16 16 GLU N N 15 122.7 0.2 . 1 . . . A 16 GLU N . 25464 1 82 . 1 1 17 17 ASP H H 1 8.49 0.02 . 1 . . . A 17 ASP H . 25464 1 83 . 1 1 17 17 ASP HA H 1 4.85 0.02 . 1 . . . A 17 ASP HA . 25464 1 84 . 1 1 17 17 ASP HB2 H 1 2.82 0.02 . 2 . . . A 17 ASP HB2 . 25464 1 85 . 1 1 17 17 ASP HB3 H 1 2.69 0.02 . 2 . . . A 17 ASP HB3 . 25464 1 86 . 1 1 17 17 ASP C C 13 176.3 0.2 . 1 . . . A 17 ASP C . 25464 1 87 . 1 1 17 17 ASP CA C 13 54.3 0.2 . 1 . . . A 17 ASP CA . 25464 1 88 . 1 1 17 17 ASP CB C 13 41.6 0.2 . 1 . . . A 17 ASP CB . 25464 1 89 . 1 1 17 17 ASP N N 15 119.5 0.2 . 1 . . . A 17 ASP N . 25464 1 90 . 1 1 18 18 GLY H H 1 8.07 0.02 . 1 . . . A 18 GLY H . 25464 1 91 . 1 1 18 18 GLY HA2 H 1 4.00 0.02 . 2 . . . A 18 GLY HA2 . 25464 1 92 . 1 1 18 18 GLY HA3 H 1 3.88 0.02 . 2 . . . A 18 GLY HA3 . 25464 1 93 . 1 1 18 18 GLY C C 13 172.7 0.2 . 1 . . . A 18 GLY C . 25464 1 94 . 1 1 18 18 GLY CA C 13 44.9 0.2 . 1 . . . A 18 GLY CA . 25464 1 95 . 1 1 18 18 GLY N N 15 107.7 0.2 . 1 . . . A 18 GLY N . 25464 1 96 . 1 1 19 19 MET H H 1 7.82 0.02 . 1 . . . A 19 MET H . 25464 1 97 . 1 1 19 19 MET HA H 1 4.89 0.02 . 1 . . . A 19 MET HA . 25464 1 98 . 1 1 19 19 MET HB2 H 1 1.83 0.02 . 2 . . . A 19 MET HB2 . 25464 1 99 . 1 1 19 19 MET HB3 H 1 1.45 0.02 . 2 . . . A 19 MET HB3 . 25464 1 100 . 1 1 19 19 MET HG2 H 1 2.55 0.02 . 2 . . . A 19 MET HG2 . 25464 1 101 . 1 1 19 19 MET HG3 H 1 2.34 0.02 . 2 . . . A 19 MET HG3 . 25464 1 102 . 1 1 19 19 MET HE1 H 1 1.95 0.02 . 1 . . . A 19 MET HE1 . 25464 1 103 . 1 1 19 19 MET HE2 H 1 1.95 0.02 . 1 . . . A 19 MET HE2 . 25464 1 104 . 1 1 19 19 MET HE3 H 1 1.95 0.02 . 1 . . . A 19 MET HE3 . 25464 1 105 . 1 1 19 19 MET C C 13 176.0 0.2 . 1 . . . A 19 MET C . 25464 1 106 . 1 1 19 19 MET CA C 13 53.7 0.2 . 1 . . . A 19 MET CA . 25464 1 107 . 1 1 19 19 MET CB C 13 35.1 0.2 . 1 . . . A 19 MET CB . 25464 1 108 . 1 1 19 19 MET CG C 13 32.6 0.2 . 1 . . . A 19 MET CG . 25464 1 109 . 1 1 19 19 MET CE C 13 17.8 0.2 . 1 . . . A 19 MET CE . 25464 1 110 . 1 1 19 19 MET N N 15 117.4 0.2 . 1 . . . A 19 MET N . 25464 1 111 . 1 1 20 20 PHE H H 1 9.37 0.02 . 1 . . . A 20 PHE H . 25464 1 112 . 1 1 20 20 PHE HA H 1 5.01 0.02 . 1 . . . A 20 PHE HA . 25464 1 113 . 1 1 20 20 PHE HB2 H 1 3.14 0.02 . 2 . . . A 20 PHE HB2 . 25464 1 114 . 1 1 20 20 PHE HB3 H 1 3.04 0.02 . 2 . . . A 20 PHE HB3 . 25464 1 115 . 1 1 20 20 PHE HD1 H 1 6.99 0.02 . 3 . . . A 20 PHE HD1 . 25464 1 116 . 1 1 20 20 PHE HD2 H 1 6.99 0.02 . 3 . . . A 20 PHE HD2 . 25464 1 117 . 1 1 20 20 PHE HE1 H 1 7.17 0.02 . 3 . . . A 20 PHE HE1 . 25464 1 118 . 1 1 20 20 PHE HE2 H 1 7.17 0.02 . 3 . . . A 20 PHE HE2 . 25464 1 119 . 1 1 20 20 PHE C C 13 174.2 0.2 . 1 . . . A 20 PHE C . 25464 1 120 . 1 1 20 20 PHE CA C 13 57.4 0.2 . 1 . . . A 20 PHE CA . 25464 1 121 . 1 1 20 20 PHE CB C 13 45.8 0.2 . 1 . . . A 20 PHE CB . 25464 1 122 . 1 1 20 20 PHE CD1 C 13 131.4 0.2 . 3 . . . A 20 PHE CD1 . 25464 1 123 . 1 1 20 20 PHE CD2 C 13 131.4 0.2 . 3 . . . A 20 PHE CD2 . 25464 1 124 . 1 1 20 20 PHE CE1 C 13 131.5 0.2 . 3 . . . A 20 PHE CE1 . 25464 1 125 . 1 1 20 20 PHE CE2 C 13 131.5 0.2 . 3 . . . A 20 PHE CE2 . 25464 1 126 . 1 1 20 20 PHE N N 15 120.1 0.2 . 1 . . . A 20 PHE N . 25464 1 127 . 1 1 21 21 PHE H H 1 9.60 0.02 . 1 . . . A 21 PHE H . 25464 1 128 . 1 1 21 21 PHE HA H 1 5.63 0.02 . 1 . . . A 21 PHE HA . 25464 1 129 . 1 1 21 21 PHE HB2 H 1 3.42 0.02 . 2 . . . A 21 PHE HB2 . 25464 1 130 . 1 1 21 21 PHE HB3 H 1 2.73 0.02 . 2 . . . A 21 PHE HB3 . 25464 1 131 . 1 1 21 21 PHE HD1 H 1 7.09 0.02 . 3 . . . A 21 PHE HD1 . 25464 1 132 . 1 1 21 21 PHE HD2 H 1 7.09 0.02 . 3 . . . A 21 PHE HD2 . 25464 1 133 . 1 1 21 21 PHE HE1 H 1 7.43 0.02 . 3 . . . A 21 PHE HE1 . 25464 1 134 . 1 1 21 21 PHE HE2 H 1 7.43 0.02 . 3 . . . A 21 PHE HE2 . 25464 1 135 . 1 1 21 21 PHE C C 13 177.5 0.2 . 1 . . . A 21 PHE C . 25464 1 136 . 1 1 21 21 PHE CA C 13 55.5 0.2 . 1 . . . A 21 PHE CA . 25464 1 137 . 1 1 21 21 PHE CB C 13 44.1 0.2 . 1 . . . A 21 PHE CB . 25464 1 138 . 1 1 21 21 PHE CD1 C 13 131.6 0.2 . 3 . . . A 21 PHE CD1 . 25464 1 139 . 1 1 21 21 PHE CD2 C 13 131.6 0.2 . 3 . . . A 21 PHE CD2 . 25464 1 140 . 1 1 21 21 PHE CE1 C 13 131.6 0.2 . 3 . . . A 21 PHE CE1 . 25464 1 141 . 1 1 21 21 PHE CE2 C 13 131.6 0.2 . 3 . . . A 21 PHE CE2 . 25464 1 142 . 1 1 21 21 PHE N N 15 115.2 0.2 . 1 . . . A 21 PHE N . 25464 1 143 . 1 1 22 22 VAL H H 1 8.75 0.02 . 1 . . . A 22 VAL H . 25464 1 144 . 1 1 22 22 VAL HB H 1 1.93 0.02 . 1 . . . A 22 VAL HB . 25464 1 145 . 1 1 22 22 VAL HG11 H 1 1.16 0.02 . 2 . . . A 22 VAL HG11 . 25464 1 146 . 1 1 22 22 VAL HG12 H 1 1.16 0.02 . 2 . . . A 22 VAL HG12 . 25464 1 147 . 1 1 22 22 VAL HG13 H 1 1.16 0.02 . 2 . . . A 22 VAL HG13 . 25464 1 148 . 1 1 22 22 VAL HG21 H 1 1.09 0.02 . 2 . . . A 22 VAL HG21 . 25464 1 149 . 1 1 22 22 VAL HG22 H 1 1.09 0.02 . 2 . . . A 22 VAL HG22 . 25464 1 150 . 1 1 22 22 VAL HG23 H 1 1.09 0.02 . 2 . . . A 22 VAL HG23 . 25464 1 151 . 1 1 22 22 VAL C C 13 175.0 0.2 . 1 . . . A 22 VAL C . 25464 1 152 . 1 1 22 22 VAL CA C 13 62.7 0.2 . 1 . . . A 22 VAL CA . 25464 1 153 . 1 1 22 22 VAL CB C 13 32.8 0.2 . 1 . . . A 22 VAL CB . 25464 1 154 . 1 1 22 22 VAL CG1 C 13 22.6 0.2 . 2 . . . A 22 VAL CG1 . 25464 1 155 . 1 1 22 22 VAL CG2 C 13 22.9 0.2 . 2 . . . A 22 VAL CG2 . 25464 1 156 . 1 1 22 22 VAL N N 15 116.6 0.2 . 1 . . . A 22 VAL N . 25464 1 157 . 1 1 23 23 LEU H H 1 9.53 0.02 . 1 . . . A 23 LEU H . 25464 1 158 . 1 1 23 23 LEU HA H 1 5.64 0.02 . 1 . . . A 23 LEU HA . 25464 1 159 . 1 1 23 23 LEU HB2 H 1 1.82 0.02 . 2 . . . A 23 LEU HB2 . 25464 1 160 . 1 1 23 23 LEU HB3 H 1 1.62 0.02 . 2 . . . A 23 LEU HB3 . 25464 1 161 . 1 1 23 23 LEU HG H 1 1.65 0.02 . 1 . . . A 23 LEU HG . 25464 1 162 . 1 1 23 23 LEU HD11 H 1 0.06 0.02 . 2 . . . A 23 LEU HD11 . 25464 1 163 . 1 1 23 23 LEU HD12 H 1 0.06 0.02 . 2 . . . A 23 LEU HD12 . 25464 1 164 . 1 1 23 23 LEU HD13 H 1 0.06 0.02 . 2 . . . A 23 LEU HD13 . 25464 1 165 . 1 1 23 23 LEU HD21 H 1 0.59 0.02 . 2 . . . A 23 LEU HD21 . 25464 1 166 . 1 1 23 23 LEU HD22 H 1 0.59 0.02 . 2 . . . A 23 LEU HD22 . 25464 1 167 . 1 1 23 23 LEU HD23 H 1 0.59 0.02 . 2 . . . A 23 LEU HD23 . 25464 1 168 . 1 1 23 23 LEU C C 13 176.2 0.2 . 1 . . . A 23 LEU C . 25464 1 169 . 1 1 23 23 LEU CA C 13 51.8 0.2 . 1 . . . A 23 LEU CA . 25464 1 170 . 1 1 23 23 LEU CB C 13 46.7 0.2 . 1 . . . A 23 LEU CB . 25464 1 171 . 1 1 23 23 LEU CG C 13 27.3 0.2 . 1 . . . A 23 LEU CG . 25464 1 172 . 1 1 23 23 LEU CD1 C 13 25.2 0.2 . 2 . . . A 23 LEU CD1 . 25464 1 173 . 1 1 23 23 LEU CD2 C 13 24.6 0.2 . 2 . . . A 23 LEU CD2 . 25464 1 174 . 1 1 23 23 LEU N N 15 126.5 0.2 . 1 . . . A 23 LEU N . 25464 1 175 . 1 1 24 24 ILE H H 1 9.30 0.02 . 1 . . . A 24 ILE H . 25464 1 176 . 1 1 24 24 ILE HA H 1 5.69 0.02 . 1 . . . A 24 ILE HA . 25464 1 177 . 1 1 24 24 ILE HB H 1 1.48 0.02 . 1 . . . A 24 ILE HB . 25464 1 178 . 1 1 24 24 ILE HG12 H 1 1.31 0.02 . 2 . . . A 24 ILE HG12 . 25464 1 179 . 1 1 24 24 ILE HG13 H 1 1.01 0.02 . 2 . . . A 24 ILE HG13 . 25464 1 180 . 1 1 24 24 ILE HG21 H 1 0.71 0.02 . 1 . . . A 24 ILE HG21 . 25464 1 181 . 1 1 24 24 ILE HG22 H 1 0.71 0.02 . 1 . . . A 24 ILE HG22 . 25464 1 182 . 1 1 24 24 ILE HG23 H 1 0.71 0.02 . 1 . . . A 24 ILE HG23 . 25464 1 183 . 1 1 24 24 ILE HD11 H 1 0.73 0.02 . 1 . . . A 24 ILE HD11 . 25464 1 184 . 1 1 24 24 ILE HD12 H 1 0.73 0.02 . 1 . . . A 24 ILE HD12 . 25464 1 185 . 1 1 24 24 ILE HD13 H 1 0.73 0.02 . 1 . . . A 24 ILE HD13 . 25464 1 186 . 1 1 24 24 ILE C C 13 174.3 0.2 . 1 . . . A 24 ILE C . 25464 1 187 . 1 1 24 24 ILE CA C 13 58.9 0.2 . 1 . . . A 24 ILE CA . 25464 1 188 . 1 1 24 24 ILE CB C 13 43.6 0.2 . 1 . . . A 24 ILE CB . 25464 1 189 . 1 1 24 24 ILE CG1 C 13 27.4 0.2 . 1 . . . A 24 ILE CG1 . 25464 1 190 . 1 1 24 24 ILE CG2 C 13 16.7 0.2 . 1 . . . A 24 ILE CG2 . 25464 1 191 . 1 1 24 24 ILE CD1 C 13 14.3 0.2 . 1 . . . A 24 ILE CD1 . 25464 1 192 . 1 1 24 24 ILE N N 15 117.7 0.2 . 1 . . . A 24 ILE N . 25464 1 193 . 1 1 25 25 ASN H H 1 7.30 0.02 . 1 . . . A 25 ASN H . 25464 1 194 . 1 1 25 25 ASN HA H 1 4.70 0.02 . 1 . . . A 25 ASN HA . 25464 1 195 . 1 1 25 25 ASN HB2 H 1 2.35 0.02 . 2 . . . A 25 ASN HB2 . 25464 1 196 . 1 1 25 25 ASN HB3 H 1 0.26 0.02 . 2 . . . A 25 ASN HB3 . 25464 1 197 . 1 1 25 25 ASN C C 13 177.7 0.2 . 1 . . . A 25 ASN C . 25464 1 198 . 1 1 25 25 ASN CA C 13 49.7 0.2 . 1 . . . A 25 ASN CA . 25464 1 199 . 1 1 25 25 ASN CB C 13 37.6 0.2 . 1 . . . A 25 ASN CB . 25464 1 200 . 1 1 25 25 ASN N N 15 122.5 0.2 . 1 . . . A 25 ASN N . 25464 1 201 . 1 1 26 26 ASP H H 1 8.34 0.02 . 1 . . . A 26 ASP H . 25464 1 202 . 1 1 26 26 ASP HA H 1 4.36 0.02 . 1 . . . A 26 ASP HA . 25464 1 203 . 1 1 26 26 ASP HB2 H 1 2.67 0.02 . 2 . . . A 26 ASP HB2 . 25464 1 204 . 1 1 26 26 ASP HB3 H 1 2.54 0.02 . 2 . . . A 26 ASP HB3 . 25464 1 205 . 1 1 26 26 ASP C C 13 176.7 0.2 . 1 . . . A 26 ASP C . 25464 1 206 . 1 1 26 26 ASP CA C 13 56.5 0.2 . 1 . . . A 26 ASP CA . 25464 1 207 . 1 1 26 26 ASP CB C 13 39.9 0.2 . 1 . . . A 26 ASP CB . 25464 1 208 . 1 1 26 26 ASP N N 15 118.1 0.2 . 1 . . . A 26 ASP N . 25464 1 209 . 1 1 27 27 GLU H H 1 7.19 0.02 . 1 . . . A 27 GLU H . 25464 1 210 . 1 1 27 27 GLU HA H 1 4.54 0.02 . 1 . . . A 27 GLU HA . 25464 1 211 . 1 1 27 27 GLU HB2 H 1 2.27 0.02 . 2 . . . A 27 GLU HB2 . 25464 1 212 . 1 1 27 27 GLU HB3 H 1 1.71 0.02 . 2 . . . A 27 GLU HB3 . 25464 1 213 . 1 1 27 27 GLU HG2 H 1 2.13 0.02 . 2 . . . A 27 GLU HG2 . 25464 1 214 . 1 1 27 27 GLU HG3 H 1 2.13 0.02 . 2 . . . A 27 GLU HG3 . 25464 1 215 . 1 1 27 27 GLU C C 13 175.1 0.2 . 1 . . . A 27 GLU C . 25464 1 216 . 1 1 27 27 GLU CA C 13 55.7 0.2 . 1 . . . A 27 GLU CA . 25464 1 217 . 1 1 27 27 GLU CB C 13 29.5 0.2 . 1 . . . A 27 GLU CB . 25464 1 218 . 1 1 27 27 GLU CG C 13 35.9 0.2 . 1 . . . A 27 GLU CG . 25464 1 219 . 1 1 27 27 GLU N N 15 117.6 0.2 . 1 . . . A 27 GLU N . 25464 1 220 . 1 1 28 28 GLU H H 1 8.05 0.02 . 1 . . . A 28 GLU H . 25464 1 221 . 1 1 28 28 GLU HA H 1 3.59 0.02 . 1 . . . A 28 GLU HA . 25464 1 222 . 1 1 28 28 GLU HB2 H 1 2.44 0.02 . 2 . . . A 28 GLU HB2 . 25464 1 223 . 1 1 28 28 GLU HB3 H 1 2.34 0.02 . 2 . . . A 28 GLU HB3 . 25464 1 224 . 1 1 28 28 GLU HG2 H 1 2.18 0.02 . 2 . . . A 28 GLU HG2 . 25464 1 225 . 1 1 28 28 GLU HG3 H 1 2.18 0.02 . 2 . . . A 28 GLU HG3 . 25464 1 226 . 1 1 28 28 GLU C C 13 175.2 0.2 . 1 . . . A 28 GLU C . 25464 1 227 . 1 1 28 28 GLU CA C 13 57.8 0.2 . 1 . . . A 28 GLU CA . 25464 1 228 . 1 1 28 28 GLU CB C 13 26.5 0.2 . 1 . . . A 28 GLU CB . 25464 1 229 . 1 1 28 28 GLU CG C 13 37.2 0.2 . 1 . . . A 28 GLU CG . 25464 1 230 . 1 1 28 28 GLU N N 15 112.8 0.2 . 1 . . . A 28 GLU N . 25464 1 231 . 1 1 29 29 GLN H H 1 7.84 0.02 . 1 . . . A 29 GLN H . 25464 1 232 . 1 1 29 29 GLN HA H 1 4.28 0.02 . 1 . . . A 29 GLN HA . 25464 1 233 . 1 1 29 29 GLN HB2 H 1 2.03 0.02 . 2 . . . A 29 GLN HB2 . 25464 1 234 . 1 1 29 29 GLN HB3 H 1 1.88 0.02 . 2 . . . A 29 GLN HB3 . 25464 1 235 . 1 1 29 29 GLN HG2 H 1 2.41 0.02 . 2 . . . A 29 GLN HG2 . 25464 1 236 . 1 1 29 29 GLN HG3 H 1 2.34 0.02 . 2 . . . A 29 GLN HG3 . 25464 1 237 . 1 1 29 29 GLN HE21 H 1 7.73 0.02 . 2 . . . A 29 GLN HE21 . 25464 1 238 . 1 1 29 29 GLN HE22 H 1 7.00 0.02 . 2 . . . A 29 GLN HE22 . 25464 1 239 . 1 1 29 29 GLN C C 13 174.6 0.2 . 1 . . . A 29 GLN C . 25464 1 240 . 1 1 29 29 GLN CA C 13 54.9 0.2 . 1 . . . A 29 GLN CA . 25464 1 241 . 1 1 29 29 GLN CB C 13 29.3 0.2 . 1 . . . A 29 GLN CB . 25464 1 242 . 1 1 29 29 GLN CG C 13 34.1 0.2 . 1 . . . A 29 GLN CG . 25464 1 243 . 1 1 29 29 GLN N N 15 117.2 0.2 . 1 . . . A 29 GLN N . 25464 1 244 . 1 1 29 29 GLN NE2 N 15 112.6 0.2 . 1 . . . A 29 GLN NE2 . 25464 1 245 . 1 1 30 30 HIS HA H 1 6.06 0.02 . 1 . . . A 30 HIS HA . 25464 1 246 . 1 1 30 30 HIS HB2 H 1 2.71 0.02 . 2 . . . A 30 HIS HB2 . 25464 1 247 . 1 1 30 30 HIS HB3 H 1 2.63 0.02 . 2 . . . A 30 HIS HB3 . 25464 1 248 . 1 1 30 30 HIS C C 13 175.9 0.2 . 1 . . . A 30 HIS C . 25464 1 249 . 1 1 30 30 HIS CA C 13 54.7 0.2 . 1 . . . A 30 HIS CA . 25464 1 250 . 1 1 30 30 HIS CB C 13 32.9 0.2 . 1 . . . A 30 HIS CB . 25464 1 251 . 1 1 31 31 SER H H 1 8.85 0.02 . 1 . . . A 31 SER H . 25464 1 252 . 1 1 31 31 SER HA H 1 4.74 0.02 . 1 . . . A 31 SER HA . 25464 1 253 . 1 1 31 31 SER HB2 H 1 3.46 0.02 . 2 . . . A 31 SER HB2 . 25464 1 254 . 1 1 31 31 SER HB3 H 1 3.18 0.02 . 2 . . . A 31 SER HB3 . 25464 1 255 . 1 1 31 31 SER C C 13 173.2 0.2 . 1 . . . A 31 SER C . 25464 1 256 . 1 1 31 31 SER CA C 13 57.4 0.2 . 1 . . . A 31 SER CA . 25464 1 257 . 1 1 31 31 SER CB C 13 66.6 0.2 . 1 . . . A 31 SER CB . 25464 1 258 . 1 1 31 31 SER N N 15 113.1 0.2 . 1 . . . A 31 SER N . 25464 1 259 . 1 1 32 32 LEU HA H 1 5.36 0.02 . 1 . . . A 32 LEU HA . 25464 1 260 . 1 1 32 32 LEU HB2 H 1 1.67 0.02 . 2 . . . A 32 LEU HB2 . 25464 1 261 . 1 1 32 32 LEU HB3 H 1 1.59 0.02 . 2 . . . A 32 LEU HB3 . 25464 1 262 . 1 1 32 32 LEU HD11 H 1 0.61 0.02 . 2 . . . A 32 LEU HD11 . 25464 1 263 . 1 1 32 32 LEU HD12 H 1 0.61 0.02 . 2 . . . A 32 LEU HD12 . 25464 1 264 . 1 1 32 32 LEU HD13 H 1 0.61 0.02 . 2 . . . A 32 LEU HD13 . 25464 1 265 . 1 1 32 32 LEU HD21 H 1 0.75 0.02 . 2 . . . A 32 LEU HD21 . 25464 1 266 . 1 1 32 32 LEU HD22 H 1 0.75 0.02 . 2 . . . A 32 LEU HD22 . 25464 1 267 . 1 1 32 32 LEU HD23 H 1 0.75 0.02 . 2 . . . A 32 LEU HD23 . 25464 1 268 . 1 1 32 32 LEU C C 13 178.2 0.2 . 1 . . . A 32 LEU C . 25464 1 269 . 1 1 32 32 LEU CA C 13 56.0 0.2 . 1 . . . A 32 LEU CA . 25464 1 270 . 1 1 32 32 LEU CB C 13 43.7 0.2 . 1 . . . A 32 LEU CB . 25464 1 271 . 1 1 32 32 LEU CD1 C 13 25.3 0.2 . 2 . . . A 32 LEU CD1 . 25464 1 272 . 1 1 32 32 LEU CD2 C 13 24.6 0.2 . 2 . . . A 32 LEU CD2 . 25464 1 273 . 1 1 33 33 TRP H H 1 9.17 0.02 . 1 . . . A 33 TRP H . 25464 1 274 . 1 1 33 33 TRP HA H 1 5.30 0.02 . 1 . . . A 33 TRP HA . 25464 1 275 . 1 1 33 33 TRP HB2 H 1 3.09 0.02 . 2 . . . A 33 TRP HB2 . 25464 1 276 . 1 1 33 33 TRP HB3 H 1 3.04 0.02 . 2 . . . A 33 TRP HB3 . 25464 1 277 . 1 1 33 33 TRP HD1 H 1 7.02 0.02 . 1 . . . A 33 TRP HD1 . 25464 1 278 . 1 1 33 33 TRP HE1 H 1 9.05 0.02 . 1 . . . A 33 TRP HE1 . 25464 1 279 . 1 1 33 33 TRP HE3 H 1 7.63 0.02 . 1 . . . A 33 TRP HE3 . 25464 1 280 . 1 1 33 33 TRP HZ2 H 1 7.43 0.02 . 1 . . . A 33 TRP HZ2 . 25464 1 281 . 1 1 33 33 TRP HH2 H 1 7.06 0.02 . 1 . . . A 33 TRP HH2 . 25464 1 282 . 1 1 33 33 TRP CA C 13 54.1 0.2 . 1 . . . A 33 TRP CA . 25464 1 283 . 1 1 33 33 TRP CB C 13 35.5 0.2 . 1 . . . A 33 TRP CB . 25464 1 284 . 1 1 33 33 TRP CD1 C 13 127.4 0.2 . 1 . . . A 33 TRP CD1 . 25464 1 285 . 1 1 33 33 TRP CZ2 C 13 115.2 0.2 . 1 . . . A 33 TRP CZ2 . 25464 1 286 . 1 1 33 33 TRP CH2 C 13 120.5 0.2 . 1 . . . A 33 TRP CH2 . 25464 1 287 . 1 1 33 33 TRP N N 15 123.4 0.2 . 1 . . . A 33 TRP N . 25464 1 288 . 1 1 33 33 TRP NE1 N 15 129.3 0.2 . 1 . . . A 33 TRP NE1 . 25464 1 289 . 1 1 34 34 PRO HA H 1 3.81 0.02 . 1 . . . A 34 PRO HA . 25464 1 290 . 1 1 34 34 PRO HB2 H 1 1.34 0.02 . 2 . . . A 34 PRO HB2 . 25464 1 291 . 1 1 34 34 PRO HB3 H 1 0.71 0.02 . 2 . . . A 34 PRO HB3 . 25464 1 292 . 1 1 34 34 PRO HG2 H 1 1.05 0.02 . 2 . . . A 34 PRO HG2 . 25464 1 293 . 1 1 34 34 PRO HG3 H 1 0.77 0.02 . 2 . . . A 34 PRO HG3 . 25464 1 294 . 1 1 34 34 PRO HD2 H 1 2.93 0.02 . 2 . . . A 34 PRO HD2 . 25464 1 295 . 1 1 34 34 PRO HD3 H 1 1.91 0.02 . 2 . . . A 34 PRO HD3 . 25464 1 296 . 1 1 34 34 PRO C C 13 177.4 0.2 . 1 . . . A 34 PRO C . 25464 1 297 . 1 1 34 34 PRO CA C 13 61.8 0.2 . 1 . . . A 34 PRO CA . 25464 1 298 . 1 1 34 34 PRO CB C 13 32.0 0.2 . 1 . . . A 34 PRO CB . 25464 1 299 . 1 1 34 34 PRO CG C 13 26.5 0.2 . 1 . . . A 34 PRO CG . 25464 1 300 . 1 1 34 34 PRO CD C 13 49.8 0.2 . 1 . . . A 34 PRO CD . 25464 1 301 . 1 1 35 35 THR H H 1 7.26 0.02 . 1 . . . A 35 THR H . 25464 1 302 . 1 1 35 35 THR HA H 1 3.73 0.02 . 1 . . . A 35 THR HA . 25464 1 303 . 1 1 35 35 THR HB H 1 3.92 0.02 . 1 . . . A 35 THR HB . 25464 1 304 . 1 1 35 35 THR HG21 H 1 0.05 0.02 . 1 . . . A 35 THR HG21 . 25464 1 305 . 1 1 35 35 THR HG22 H 1 0.05 0.02 . 1 . . . A 35 THR HG22 . 25464 1 306 . 1 1 35 35 THR HG23 H 1 0.05 0.02 . 1 . . . A 35 THR HG23 . 25464 1 307 . 1 1 35 35 THR C C 13 176.1 0.2 . 1 . . . A 35 THR C . 25464 1 308 . 1 1 35 35 THR CA C 13 63.6 0.2 . 1 . . . A 35 THR CA . 25464 1 309 . 1 1 35 35 THR CB C 13 68.2 0.2 . 1 . . . A 35 THR CB . 25464 1 310 . 1 1 35 35 THR CG2 C 13 21.1 0.2 . 1 . . . A 35 THR CG2 . 25464 1 311 . 1 1 35 35 THR N N 15 107.7 0.2 . 1 . . . A 35 THR N . 25464 1 312 . 1 1 36 36 PHE H H 1 6.77 0.02 . 1 . . . A 36 PHE H . 25464 1 313 . 1 1 36 36 PHE HA H 1 4.51 0.02 . 1 . . . A 36 PHE HA . 25464 1 314 . 1 1 36 36 PHE HB2 H 1 3.34 0.02 . 2 . . . A 36 PHE HB2 . 25464 1 315 . 1 1 36 36 PHE HB3 H 1 2.87 0.02 . 2 . . . A 36 PHE HB3 . 25464 1 316 . 1 1 36 36 PHE HD1 H 1 7.07 0.02 . 3 . . . A 36 PHE HD1 . 25464 1 317 . 1 1 36 36 PHE HD2 H 1 7.07 0.02 . 3 . . . A 36 PHE HD2 . 25464 1 318 . 1 1 36 36 PHE C C 13 174.5 0.2 . 1 . . . A 36 PHE C . 25464 1 319 . 1 1 36 36 PHE CA C 13 56.9 0.2 . 1 . . . A 36 PHE CA . 25464 1 320 . 1 1 36 36 PHE CB C 13 37.6 0.2 . 1 . . . A 36 PHE CB . 25464 1 321 . 1 1 36 36 PHE CD1 C 13 132.4 0.2 . 3 . . . A 36 PHE CD1 . 25464 1 322 . 1 1 36 36 PHE CD2 C 13 132.4 0.2 . 3 . . . A 36 PHE CD2 . 25464 1 323 . 1 1 36 36 PHE N N 15 114.5 0.2 . 1 . . . A 36 PHE N . 25464 1 324 . 1 1 37 37 ALA H H 1 6.95 0.02 . 1 . . . A 37 ALA H . 25464 1 325 . 1 1 37 37 ALA HA H 1 4.71 0.02 . 1 . . . A 37 ALA HA . 25464 1 326 . 1 1 37 37 ALA HB1 H 1 1.03 0.02 . 1 . . . A 37 ALA HB1 . 25464 1 327 . 1 1 37 37 ALA HB2 H 1 1.03 0.02 . 1 . . . A 37 ALA HB2 . 25464 1 328 . 1 1 37 37 ALA HB3 H 1 1.03 0.02 . 1 . . . A 37 ALA HB3 . 25464 1 329 . 1 1 37 37 ALA C C 13 177.3 0.2 . 1 . . . A 37 ALA C . 25464 1 330 . 1 1 37 37 ALA CA C 13 50.2 0.2 . 1 . . . A 37 ALA CA . 25464 1 331 . 1 1 37 37 ALA CB C 13 20.4 0.2 . 1 . . . A 37 ALA CB . 25464 1 332 . 1 1 37 37 ALA N N 15 125.3 0.2 . 1 . . . A 37 ALA N . 25464 1 333 . 1 1 38 38 ASP H H 1 8.87 0.02 . 1 . . . A 38 ASP H . 25464 1 334 . 1 1 38 38 ASP HA H 1 4.48 0.02 . 1 . . . A 38 ASP HA . 25464 1 335 . 1 1 38 38 ASP HB2 H 1 2.63 0.02 . 2 . . . A 38 ASP HB2 . 25464 1 336 . 1 1 38 38 ASP HB3 H 1 2.55 0.02 . 2 . . . A 38 ASP HB3 . 25464 1 337 . 1 1 38 38 ASP C C 13 176.7 0.2 . 1 . . . A 38 ASP C . 25464 1 338 . 1 1 38 38 ASP CA C 13 55.0 0.2 . 1 . . . A 38 ASP CA . 25464 1 339 . 1 1 38 38 ASP CB C 13 40.4 0.2 . 1 . . . A 38 ASP CB . 25464 1 340 . 1 1 38 38 ASP N N 15 124.5 0.2 . 1 . . . A 38 ASP N . 25464 1 341 . 1 1 39 39 VAL H H 1 8.65 0.02 . 1 . . . A 39 VAL H . 25464 1 342 . 1 1 39 39 VAL HA H 1 3.36 0.02 . 1 . . . A 39 VAL HA . 25464 1 343 . 1 1 39 39 VAL HB H 1 1.78 0.02 . 1 . . . A 39 VAL HB . 25464 1 344 . 1 1 39 39 VAL HG11 H 1 0.82 0.02 . 2 . . . A 39 VAL HG11 . 25464 1 345 . 1 1 39 39 VAL HG12 H 1 0.82 0.02 . 2 . . . A 39 VAL HG12 . 25464 1 346 . 1 1 39 39 VAL HG13 H 1 0.82 0.02 . 2 . . . A 39 VAL HG13 . 25464 1 347 . 1 1 39 39 VAL HG21 H 1 0.64 0.02 . 2 . . . A 39 VAL HG21 . 25464 1 348 . 1 1 39 39 VAL HG22 H 1 0.64 0.02 . 2 . . . A 39 VAL HG22 . 25464 1 349 . 1 1 39 39 VAL HG23 H 1 0.64 0.02 . 2 . . . A 39 VAL HG23 . 25464 1 350 . 1 1 39 39 VAL CA C 13 61.1 0.2 . 1 . . . A 39 VAL CA . 25464 1 351 . 1 1 39 39 VAL CB C 13 32.2 0.2 . 1 . . . A 39 VAL CB . 25464 1 352 . 1 1 39 39 VAL CG1 C 13 22.3 0.2 . 2 . . . A 39 VAL CG1 . 25464 1 353 . 1 1 39 39 VAL CG2 C 13 21.2 0.2 . 2 . . . A 39 VAL CG2 . 25464 1 354 . 1 1 39 39 VAL N N 15 126.0 0.2 . 1 . . . A 39 VAL N . 25464 1 355 . 1 1 40 40 PRO HA H 1 4.25 0.02 . 1 . . . A 40 PRO HA . 25464 1 356 . 1 1 40 40 PRO HB2 H 1 1.99 0.02 . 2 . . . A 40 PRO HB2 . 25464 1 357 . 1 1 40 40 PRO HB3 H 1 1.61 0.02 . 2 . . . A 40 PRO HB3 . 25464 1 358 . 1 1 40 40 PRO HG2 H 1 0.82 0.02 . 2 . . . A 40 PRO HG2 . 25464 1 359 . 1 1 40 40 PRO HG3 H 1 0.82 0.02 . 2 . . . A 40 PRO HG3 . 25464 1 360 . 1 1 40 40 PRO HD2 H 1 2.42 0.02 . 2 . . . A 40 PRO HD2 . 25464 1 361 . 1 1 40 40 PRO HD3 H 1 2.03 0.02 . 2 . . . A 40 PRO HD3 . 25464 1 362 . 1 1 40 40 PRO C C 13 175.8 0.2 . 1 . . . A 40 PRO C . 25464 1 363 . 1 1 40 40 PRO CA C 13 62.2 0.2 . 1 . . . A 40 PRO CA . 25464 1 364 . 1 1 40 40 PRO CB C 13 31.7 0.2 . 1 . . . A 40 PRO CB . 25464 1 365 . 1 1 40 40 PRO CG C 13 26.6 0.2 . 1 . . . A 40 PRO CG . 25464 1 366 . 1 1 40 40 PRO CD C 13 50.0 0.2 . 1 . . . A 40 PRO CD . 25464 1 367 . 1 1 41 41 ALA H H 1 8.28 0.02 . 1 . . . A 41 ALA H . 25464 1 368 . 1 1 41 41 ALA HA H 1 4.18 0.02 . 1 . . . A 41 ALA HA . 25464 1 369 . 1 1 41 41 ALA HB1 H 1 1.40 0.02 . 1 . . . A 41 ALA HB1 . 25464 1 370 . 1 1 41 41 ALA HB2 H 1 1.40 0.02 . 1 . . . A 41 ALA HB2 . 25464 1 371 . 1 1 41 41 ALA HB3 H 1 1.40 0.02 . 1 . . . A 41 ALA HB3 . 25464 1 372 . 1 1 41 41 ALA C C 13 179.0 0.2 . 1 . . . A 41 ALA C . 25464 1 373 . 1 1 41 41 ALA CA C 13 53.3 0.2 . 1 . . . A 41 ALA CA . 25464 1 374 . 1 1 41 41 ALA CB C 13 18.3 0.2 . 1 . . . A 41 ALA CB . 25464 1 375 . 1 1 41 41 ALA N N 15 122.7 0.2 . 1 . . . A 41 ALA N . 25464 1 376 . 1 1 42 42 GLY H H 1 8.77 0.02 . 1 . . . A 42 GLY H . 25464 1 377 . 1 1 42 42 GLY HA2 H 1 4.19 0.02 . 2 . . . A 42 GLY HA2 . 25464 1 378 . 1 1 42 42 GLY HA3 H 1 3.56 0.02 . 2 . . . A 42 GLY HA3 . 25464 1 379 . 1 1 42 42 GLY C C 13 173.8 0.2 . 1 . . . A 42 GLY C . 25464 1 380 . 1 1 42 42 GLY CA C 13 44.7 0.2 . 1 . . . A 42 GLY CA . 25464 1 381 . 1 1 42 42 GLY N N 15 109.8 0.2 . 1 . . . A 42 GLY N . 25464 1 382 . 1 1 43 43 TRP H H 1 7.74 0.02 . 1 . . . A 43 TRP H . 25464 1 383 . 1 1 43 43 TRP HA H 1 4.95 0.02 . 1 . . . A 43 TRP HA . 25464 1 384 . 1 1 43 43 TRP HB2 H 1 2.85 0.02 . 2 . . . A 43 TRP HB2 . 25464 1 385 . 1 1 43 43 TRP HB3 H 1 2.76 0.02 . 2 . . . A 43 TRP HB3 . 25464 1 386 . 1 1 43 43 TRP HD1 H 1 6.90 0.02 . 1 . . . A 43 TRP HD1 . 25464 1 387 . 1 1 43 43 TRP HE1 H 1 10.16 0.02 . 1 . . . A 43 TRP HE1 . 25464 1 388 . 1 1 43 43 TRP HE3 H 1 7.10 0.02 . 1 . . . A 43 TRP HE3 . 25464 1 389 . 1 1 43 43 TRP HZ2 H 1 7.39 0.02 . 1 . . . A 43 TRP HZ2 . 25464 1 390 . 1 1 43 43 TRP HZ3 H 1 6.72 0.02 . 1 . . . A 43 TRP HZ3 . 25464 1 391 . 1 1 43 43 TRP HH2 H 1 6.86 0.02 . 1 . . . A 43 TRP HH2 . 25464 1 392 . 1 1 43 43 TRP C C 13 174.9 0.2 . 1 . . . A 43 TRP C . 25464 1 393 . 1 1 43 43 TRP CA C 13 55.7 0.2 . 1 . . . A 43 TRP CA . 25464 1 394 . 1 1 43 43 TRP CB C 13 32.0 0.2 . 1 . . . A 43 TRP CB . 25464 1 395 . 1 1 43 43 TRP CD1 C 13 128.0 0.2 . 1 . . . A 43 TRP CD1 . 25464 1 396 . 1 1 43 43 TRP CE3 C 13 121.3 0.2 . 1 . . . A 43 TRP CE3 . 25464 1 397 . 1 1 43 43 TRP CZ2 C 13 114.7 0.2 . 1 . . . A 43 TRP CZ2 . 25464 1 398 . 1 1 43 43 TRP CZ3 C 13 121.3 0.2 . 1 . . . A 43 TRP CZ3 . 25464 1 399 . 1 1 43 43 TRP CH2 C 13 124.3 0.2 . 1 . . . A 43 TRP CH2 . 25464 1 400 . 1 1 43 43 TRP N N 15 120.3 0.2 . 1 . . . A 43 TRP N . 25464 1 401 . 1 1 43 43 TRP NE1 N 15 129.3 0.2 . 1 . . . A 43 TRP NE1 . 25464 1 402 . 1 1 44 44 ARG H H 1 8.99 0.02 . 1 . . . A 44 ARG H . 25464 1 403 . 1 1 44 44 ARG HA H 1 4.72 0.02 . 1 . . . A 44 ARG HA . 25464 1 404 . 1 1 44 44 ARG HB2 H 1 1.65 0.02 . 2 . . . A 44 ARG HB2 . 25464 1 405 . 1 1 44 44 ARG HB3 H 1 1.65 0.02 . 2 . . . A 44 ARG HB3 . 25464 1 406 . 1 1 44 44 ARG HG2 H 1 1.53 0.02 . 2 . . . A 44 ARG HG2 . 25464 1 407 . 1 1 44 44 ARG HG3 H 1 1.34 0.02 . 2 . . . A 44 ARG HG3 . 25464 1 408 . 1 1 44 44 ARG HD2 H 1 3.07 0.02 . 2 . . . A 44 ARG HD2 . 25464 1 409 . 1 1 44 44 ARG HD3 H 1 3.07 0.02 . 2 . . . A 44 ARG HD3 . 25464 1 410 . 1 1 44 44 ARG C C 13 174.9 0.2 . 1 . . . A 44 ARG C . 25464 1 411 . 1 1 44 44 ARG CA C 13 53.9 0.2 . 1 . . . A 44 ARG CA . 25464 1 412 . 1 1 44 44 ARG CB C 13 33.2 0.2 . 1 . . . A 44 ARG CB . 25464 1 413 . 1 1 44 44 ARG CG C 13 26.9 0.2 . 1 . . . A 44 ARG CG . 25464 1 414 . 1 1 44 44 ARG CD C 13 43.2 0.2 . 1 . . . A 44 ARG CD . 25464 1 415 . 1 1 44 44 ARG N N 15 117.7 0.2 . 1 . . . A 44 ARG N . 25464 1 416 . 1 1 45 45 VAL H H 1 8.72 0.02 . 1 . . . A 45 VAL H . 25464 1 417 . 1 1 45 45 VAL HA H 1 3.98 0.02 . 1 . . . A 45 VAL HA . 25464 1 418 . 1 1 45 45 VAL HB H 1 1.67 0.02 . 1 . . . A 45 VAL HB . 25464 1 419 . 1 1 45 45 VAL HG11 H 1 0.55 0.02 . 2 . . . A 45 VAL HG11 . 25464 1 420 . 1 1 45 45 VAL HG12 H 1 0.55 0.02 . 2 . . . A 45 VAL HG12 . 25464 1 421 . 1 1 45 45 VAL HG13 H 1 0.55 0.02 . 2 . . . A 45 VAL HG13 . 25464 1 422 . 1 1 45 45 VAL HG21 H 1 0.16 0.02 . 2 . . . A 45 VAL HG21 . 25464 1 423 . 1 1 45 45 VAL HG22 H 1 0.16 0.02 . 2 . . . A 45 VAL HG22 . 25464 1 424 . 1 1 45 45 VAL HG23 H 1 0.16 0.02 . 2 . . . A 45 VAL HG23 . 25464 1 425 . 1 1 45 45 VAL C C 13 177.6 0.2 . 1 . . . A 45 VAL C . 25464 1 426 . 1 1 45 45 VAL CA C 13 63.7 0.2 . 1 . . . A 45 VAL CA . 25464 1 427 . 1 1 45 45 VAL CB C 13 32.1 0.2 . 1 . . . A 45 VAL CB . 25464 1 428 . 1 1 45 45 VAL CG1 C 13 21.7 0.2 . 2 . . . A 45 VAL CG1 . 25464 1 429 . 1 1 45 45 VAL CG2 C 13 20.7 0.2 . 2 . . . A 45 VAL CG2 . 25464 1 430 . 1 1 45 45 VAL N N 15 122.8 0.2 . 1 . . . A 45 VAL N . 25464 1 431 . 1 1 46 46 VAL H H 1 9.06 0.02 . 1 . . . A 46 VAL H . 25464 1 432 . 1 1 46 46 VAL HA H 1 4.68 0.02 . 1 . . . A 46 VAL HA . 25464 1 433 . 1 1 46 46 VAL HB H 1 2.35 0.02 . 1 . . . A 46 VAL HB . 25464 1 434 . 1 1 46 46 VAL HG11 H 1 0.94 0.02 . 2 . . . A 46 VAL HG11 . 25464 1 435 . 1 1 46 46 VAL HG12 H 1 0.94 0.02 . 2 . . . A 46 VAL HG12 . 25464 1 436 . 1 1 46 46 VAL HG13 H 1 0.94 0.02 . 2 . . . A 46 VAL HG13 . 25464 1 437 . 1 1 46 46 VAL HG21 H 1 0.89 0.02 . 2 . . . A 46 VAL HG21 . 25464 1 438 . 1 1 46 46 VAL HG22 H 1 0.89 0.02 . 2 . . . A 46 VAL HG22 . 25464 1 439 . 1 1 46 46 VAL HG23 H 1 0.89 0.02 . 2 . . . A 46 VAL HG23 . 25464 1 440 . 1 1 46 46 VAL C C 13 174.2 0.2 . 1 . . . A 46 VAL C . 25464 1 441 . 1 1 46 46 VAL CA C 13 60.5 0.2 . 1 . . . A 46 VAL CA . 25464 1 442 . 1 1 46 46 VAL CB C 13 34.0 0.2 . 1 . . . A 46 VAL CB . 25464 1 443 . 1 1 46 46 VAL CG1 C 13 22.4 0.2 . 2 . . . A 46 VAL CG1 . 25464 1 444 . 1 1 46 46 VAL CG2 C 13 19.8 0.2 . 2 . . . A 46 VAL CG2 . 25464 1 445 . 1 1 46 46 VAL N N 15 120.4 0.2 . 1 . . . A 46 VAL N . 25464 1 446 . 1 1 47 47 PHE H H 1 7.68 0.02 . 1 . . . A 47 PHE H . 25464 1 447 . 1 1 47 47 PHE HA H 1 4.45 0.02 . 1 . . . A 47 PHE HA . 25464 1 448 . 1 1 47 47 PHE HB2 H 1 2.07 0.02 . 2 . . . A 47 PHE HB2 . 25464 1 449 . 1 1 47 47 PHE HB3 H 1 1.86 0.02 . 2 . . . A 47 PHE HB3 . 25464 1 450 . 1 1 47 47 PHE HD1 H 1 7.10 0.02 . 3 . . . A 47 PHE HD1 . 25464 1 451 . 1 1 47 47 PHE HD2 H 1 7.10 0.02 . 3 . . . A 47 PHE HD2 . 25464 1 452 . 1 1 47 47 PHE CA C 13 58.7 0.2 . 1 . . . A 47 PHE CA . 25464 1 453 . 1 1 47 47 PHE CB C 13 41.7 0.2 . 1 . . . A 47 PHE CB . 25464 1 454 . 1 1 47 47 PHE CD1 C 13 132.6 0.2 . 3 . . . A 47 PHE CD1 . 25464 1 455 . 1 1 47 47 PHE CD2 C 13 132.6 0.2 . 3 . . . A 47 PHE CD2 . 25464 1 456 . 1 1 47 47 PHE N N 15 121.1 0.2 . 1 . . . A 47 PHE N . 25464 1 457 . 1 1 48 48 GLY H H 1 7.38 0.02 . 1 . . . A 48 GLY H . 25464 1 458 . 1 1 48 48 GLY HA2 H 1 2.81 0.02 . 2 . . . A 48 GLY HA2 . 25464 1 459 . 1 1 48 48 GLY HA3 H 1 2.81 0.02 . 2 . . . A 48 GLY HA3 . 25464 1 460 . 1 1 48 48 GLY C C 13 174.7 0.2 . 1 . . . A 48 GLY C . 25464 1 461 . 1 1 48 48 GLY CA C 13 42.0 0.2 . 1 . . . A 48 GLY CA . 25464 1 462 . 1 1 48 48 GLY N N 15 112.6 0.2 . 1 . . . A 48 GLY N . 25464 1 463 . 1 1 49 49 GLU H H 1 8.51 0.02 . 1 . . . A 49 GLU H . 25464 1 464 . 1 1 49 49 GLU HA H 1 4.23 0.02 . 1 . . . A 49 GLU HA . 25464 1 465 . 1 1 49 49 GLU HB2 H 1 1.69 0.02 . 2 . . . A 49 GLU HB2 . 25464 1 466 . 1 1 49 49 GLU HB3 H 1 1.55 0.02 . 2 . . . A 49 GLU HB3 . 25464 1 467 . 1 1 49 49 GLU HG2 H 1 2.18 0.02 . 2 . . . A 49 GLU HG2 . 25464 1 468 . 1 1 49 49 GLU HG3 H 1 2.01 0.02 . 2 . . . A 49 GLU HG3 . 25464 1 469 . 1 1 49 49 GLU C C 13 174.9 0.2 . 1 . . . A 49 GLU C . 25464 1 470 . 1 1 49 49 GLU CA C 13 56.3 0.2 . 1 . . . A 49 GLU CA . 25464 1 471 . 1 1 49 49 GLU CB C 13 31.2 0.2 . 1 . . . A 49 GLU CB . 25464 1 472 . 1 1 49 49 GLU CG C 13 34.9 0.2 . 1 . . . A 49 GLU CG . 25464 1 473 . 1 1 49 49 GLU N N 15 120.6 0.2 . 1 . . . A 49 GLU N . 25464 1 474 . 1 1 50 50 ALA H H 1 9.44 0.02 . 1 . . . A 50 ALA H . 25464 1 475 . 1 1 50 50 ALA HA H 1 4.64 0.02 . 1 . . . A 50 ALA HA . 25464 1 476 . 1 1 50 50 ALA HB1 H 1 1.57 0.02 . 1 . . . A 50 ALA HB1 . 25464 1 477 . 1 1 50 50 ALA HB2 H 1 1.57 0.02 . 1 . . . A 50 ALA HB2 . 25464 1 478 . 1 1 50 50 ALA HB3 H 1 1.57 0.02 . 1 . . . A 50 ALA HB3 . 25464 1 479 . 1 1 50 50 ALA C C 13 175.1 0.2 . 1 . . . A 50 ALA C . 25464 1 480 . 1 1 50 50 ALA CA C 13 51.4 0.2 . 1 . . . A 50 ALA CA . 25464 1 481 . 1 1 50 50 ALA CB C 13 23.2 0.2 . 1 . . . A 50 ALA CB . 25464 1 482 . 1 1 50 50 ALA N N 15 126.6 0.2 . 1 . . . A 50 ALA N . 25464 1 483 . 1 1 51 51 SER H H 1 8.95 0.02 . 1 . . . A 51 SER H . 25464 1 484 . 1 1 51 51 SER HA H 1 4.74 0.02 . 1 . . . A 51 SER HA . 25464 1 485 . 1 1 51 51 SER HB2 H 1 4.54 0.02 . 2 . . . A 51 SER HB2 . 25464 1 486 . 1 1 51 51 SER HB3 H 1 4.19 0.02 . 2 . . . A 51 SER HB3 . 25464 1 487 . 1 1 51 51 SER C C 13 175.0 0.2 . 1 . . . A 51 SER C . 25464 1 488 . 1 1 51 51 SER CA C 13 58.1 0.2 . 1 . . . A 51 SER CA . 25464 1 489 . 1 1 51 51 SER CB C 13 64.7 0.2 . 1 . . . A 51 SER CB . 25464 1 490 . 1 1 51 51 SER N N 15 115.1 0.2 . 1 . . . A 51 SER N . 25464 1 491 . 1 1 52 52 ARG H H 1 9.54 0.02 . 1 . . . A 52 ARG H . 25464 1 492 . 1 1 52 52 ARG HA H 1 3.41 0.02 . 1 . . . A 52 ARG HA . 25464 1 493 . 1 1 52 52 ARG HB2 H 1 1.77 0.02 . 2 . . . A 52 ARG HB2 . 25464 1 494 . 1 1 52 52 ARG HB3 H 1 1.77 0.02 . 2 . . . A 52 ARG HB3 . 25464 1 495 . 1 1 52 52 ARG HG2 H 1 1.29 0.02 . 2 . . . A 52 ARG HG2 . 25464 1 496 . 1 1 52 52 ARG HG3 H 1 0.45 0.02 . 2 . . . A 52 ARG HG3 . 25464 1 497 . 1 1 52 52 ARG HD2 H 1 2.87 0.02 . 2 . . . A 52 ARG HD2 . 25464 1 498 . 1 1 52 52 ARG HD3 H 1 2.73 0.02 . 2 . . . A 52 ARG HD3 . 25464 1 499 . 1 1 52 52 ARG C C 13 178.2 0.2 . 1 . . . A 52 ARG C . 25464 1 500 . 1 1 52 52 ARG CA C 13 61.0 0.2 . 1 . . . A 52 ARG CA . 25464 1 501 . 1 1 52 52 ARG CB C 13 29.9 0.2 . 1 . . . A 52 ARG CB . 25464 1 502 . 1 1 52 52 ARG CG C 13 27.5 0.2 . 1 . . . A 52 ARG CG . 25464 1 503 . 1 1 52 52 ARG CD C 13 42.8 0.2 . 1 . . . A 52 ARG CD . 25464 1 504 . 1 1 52 52 ARG N N 15 123.5 0.2 . 1 . . . A 52 ARG N . 25464 1 505 . 1 1 53 53 ALA H H 1 8.77 0.02 . 1 . . . A 53 ALA H . 25464 1 506 . 1 1 53 53 ALA HA H 1 4.03 0.02 . 1 . . . A 53 ALA HA . 25464 1 507 . 1 1 53 53 ALA HB1 H 1 1.44 0.02 . 1 . . . A 53 ALA HB1 . 25464 1 508 . 1 1 53 53 ALA HB2 H 1 1.44 0.02 . 1 . . . A 53 ALA HB2 . 25464 1 509 . 1 1 53 53 ALA HB3 H 1 1.44 0.02 . 1 . . . A 53 ALA HB3 . 25464 1 510 . 1 1 53 53 ALA C C 13 181.0 0.2 . 1 . . . A 53 ALA C . 25464 1 511 . 1 1 53 53 ALA CA C 13 55.3 0.2 . 1 . . . A 53 ALA CA . 25464 1 512 . 1 1 53 53 ALA CB C 13 18.1 0.2 . 1 . . . A 53 ALA CB . 25464 1 513 . 1 1 53 53 ALA N N 15 118.0 0.2 . 1 . . . A 53 ALA N . 25464 1 514 . 1 1 54 54 SER H H 1 8.14 0.02 . 1 . . . A 54 SER H . 25464 1 515 . 1 1 54 54 SER HA H 1 4.35 0.02 . 1 . . . A 54 SER HA . 25464 1 516 . 1 1 54 54 SER HB2 H 1 4.29 0.02 . 2 . . . A 54 SER HB2 . 25464 1 517 . 1 1 54 54 SER HB3 H 1 4.18 0.02 . 2 . . . A 54 SER HB3 . 25464 1 518 . 1 1 54 54 SER C C 13 177.5 0.2 . 1 . . . A 54 SER C . 25464 1 519 . 1 1 54 54 SER CA C 13 61.9 0.2 . 1 . . . A 54 SER CA . 25464 1 520 . 1 1 54 54 SER CB C 13 63.1 0.2 . 1 . . . A 54 SER CB . 25464 1 521 . 1 1 54 54 SER N N 15 115.3 0.2 . 1 . . . A 54 SER N . 25464 1 522 . 1 1 55 55 CYS H H 1 8.43 0.02 . 1 . . . A 55 CYS H . 25464 1 523 . 1 1 55 55 CYS HA H 1 4.16 0.02 . 1 . . . A 55 CYS HA . 25464 1 524 . 1 1 55 55 CYS HB2 H 1 3.24 0.02 . 2 . . . A 55 CYS HB2 . 25464 1 525 . 1 1 55 55 CYS HB3 H 1 2.49 0.02 . 2 . . . A 55 CYS HB3 . 25464 1 526 . 1 1 55 55 CYS C C 13 176.3 0.2 . 1 . . . A 55 CYS C . 25464 1 527 . 1 1 55 55 CYS CA C 13 64.3 0.2 . 1 . . . A 55 CYS CA . 25464 1 528 . 1 1 55 55 CYS CB C 13 27.0 0.2 . 1 . . . A 55 CYS CB . 25464 1 529 . 1 1 55 55 CYS N N 15 121.9 0.2 . 1 . . . A 55 CYS N . 25464 1 530 . 1 1 56 56 VAL H H 1 8.75 0.02 . 1 . . . A 56 VAL H . 25464 1 531 . 1 1 56 56 VAL HA H 1 3.49 0.02 . 1 . . . A 56 VAL HA . 25464 1 532 . 1 1 56 56 VAL HB H 1 2.08 0.02 . 1 . . . A 56 VAL HB . 25464 1 533 . 1 1 56 56 VAL HG11 H 1 0.96 0.02 . 2 . . . A 56 VAL HG11 . 25464 1 534 . 1 1 56 56 VAL HG12 H 1 0.96 0.02 . 2 . . . A 56 VAL HG12 . 25464 1 535 . 1 1 56 56 VAL HG13 H 1 0.96 0.02 . 2 . . . A 56 VAL HG13 . 25464 1 536 . 1 1 56 56 VAL HG21 H 1 0.91 0.02 . 2 . . . A 56 VAL HG21 . 25464 1 537 . 1 1 56 56 VAL HG22 H 1 0.91 0.02 . 2 . . . A 56 VAL HG22 . 25464 1 538 . 1 1 56 56 VAL HG23 H 1 0.91 0.02 . 2 . . . A 56 VAL HG23 . 25464 1 539 . 1 1 56 56 VAL C C 13 177.8 0.2 . 1 . . . A 56 VAL C . 25464 1 540 . 1 1 56 56 VAL CA C 13 67.0 0.2 . 1 . . . A 56 VAL CA . 25464 1 541 . 1 1 56 56 VAL CB C 13 31.6 0.2 . 1 . . . A 56 VAL CB . 25464 1 542 . 1 1 56 56 VAL CG1 C 13 23.3 0.2 . 2 . . . A 56 VAL CG1 . 25464 1 543 . 1 1 56 56 VAL CG2 C 13 21.2 0.2 . 2 . . . A 56 VAL CG2 . 25464 1 544 . 1 1 56 56 VAL N N 15 121.1 0.2 . 1 . . . A 56 VAL N . 25464 1 545 . 1 1 57 57 GLU H H 1 7.78 0.02 . 1 . . . A 57 GLU H . 25464 1 546 . 1 1 57 57 GLU HA H 1 4.07 0.02 . 1 . . . A 57 GLU HA . 25464 1 547 . 1 1 57 57 GLU HB2 H 1 2.11 0.02 . 2 . . . A 57 GLU HB2 . 25464 1 548 . 1 1 57 57 GLU HB3 H 1 2.11 0.02 . 2 . . . A 57 GLU HB3 . 25464 1 549 . 1 1 57 57 GLU HG2 H 1 2.35 0.02 . 2 . . . A 57 GLU HG2 . 25464 1 550 . 1 1 57 57 GLU HG3 H 1 2.15 0.02 . 2 . . . A 57 GLU HG3 . 25464 1 551 . 1 1 57 57 GLU C C 13 177.9 0.2 . 1 . . . A 57 GLU C . 25464 1 552 . 1 1 57 57 GLU CA C 13 59.3 0.2 . 1 . . . A 57 GLU CA . 25464 1 553 . 1 1 57 57 GLU CB C 13 29.5 0.2 . 1 . . . A 57 GLU CB . 25464 1 554 . 1 1 57 57 GLU CG C 13 36.4 0.2 . 1 . . . A 57 GLU CG . 25464 1 555 . 1 1 57 57 GLU N N 15 119.2 0.2 . 1 . . . A 57 GLU N . 25464 1 556 . 1 1 58 58 TYR H H 1 7.70 0.02 . 1 . . . A 58 TYR H . 25464 1 557 . 1 1 58 58 TYR HA H 1 3.89 0.02 . 1 . . . A 58 TYR HA . 25464 1 558 . 1 1 58 58 TYR HB2 H 1 2.93 0.02 . 2 . . . A 58 TYR HB2 . 25464 1 559 . 1 1 58 58 TYR HB3 H 1 1.91 0.02 . 2 . . . A 58 TYR HB3 . 25464 1 560 . 1 1 58 58 TYR HD1 H 1 6.50 0.02 . 3 . . . A 58 TYR HD1 . 25464 1 561 . 1 1 58 58 TYR HD2 H 1 6.50 0.02 . 3 . . . A 58 TYR HD2 . 25464 1 562 . 1 1 58 58 TYR HE1 H 1 6.45 0.02 . 3 . . . A 58 TYR HE1 . 25464 1 563 . 1 1 58 58 TYR HE2 H 1 6.45 0.02 . 3 . . . A 58 TYR HE2 . 25464 1 564 . 1 1 58 58 TYR CA C 13 62.2 0.2 . 1 . . . A 58 TYR CA . 25464 1 565 . 1 1 58 58 TYR CB C 13 37.2 0.2 . 1 . . . A 58 TYR CB . 25464 1 566 . 1 1 58 58 TYR CD1 C 13 133.6 0.2 . 3 . . . A 58 TYR CD1 . 25464 1 567 . 1 1 58 58 TYR CD2 C 13 133.6 0.2 . 3 . . . A 58 TYR CD2 . 25464 1 568 . 1 1 58 58 TYR CE1 C 13 117.3 0.2 . 3 . . . A 58 TYR CE1 . 25464 1 569 . 1 1 58 58 TYR CE2 C 13 117.3 0.2 . 3 . . . A 58 TYR CE2 . 25464 1 570 . 1 1 58 58 TYR N N 15 119.4 0.2 . 1 . . . A 58 TYR N . 25464 1 571 . 1 1 59 59 VAL H H 1 8.38 0.02 . 1 . . . A 59 VAL H . 25464 1 572 . 1 1 59 59 VAL HA H 1 3.36 0.02 . 1 . . . A 59 VAL HA . 25464 1 573 . 1 1 59 59 VAL HB H 1 2.30 0.02 . 1 . . . A 59 VAL HB . 25464 1 574 . 1 1 59 59 VAL HG11 H 1 1.12 0.02 . 2 . . . A 59 VAL HG11 . 25464 1 575 . 1 1 59 59 VAL HG12 H 1 1.12 0.02 . 2 . . . A 59 VAL HG12 . 25464 1 576 . 1 1 59 59 VAL HG13 H 1 1.12 0.02 . 2 . . . A 59 VAL HG13 . 25464 1 577 . 1 1 59 59 VAL HG21 H 1 0.97 0.02 . 2 . . . A 59 VAL HG21 . 25464 1 578 . 1 1 59 59 VAL HG22 H 1 0.97 0.02 . 2 . . . A 59 VAL HG22 . 25464 1 579 . 1 1 59 59 VAL HG23 H 1 0.97 0.02 . 2 . . . A 59 VAL HG23 . 25464 1 580 . 1 1 59 59 VAL C C 13 176.3 0.2 . 1 . . . A 59 VAL C . 25464 1 581 . 1 1 59 59 VAL CA C 13 67.4 0.2 . 1 . . . A 59 VAL CA . 25464 1 582 . 1 1 59 59 VAL CB C 13 31.4 0.2 . 1 . . . A 59 VAL CB . 25464 1 583 . 1 1 59 59 VAL CG1 C 13 24.3 0.2 . 2 . . . A 59 VAL CG1 . 25464 1 584 . 1 1 59 59 VAL CG2 C 13 22.0 0.2 . 2 . . . A 59 VAL CG2 . 25464 1 585 . 1 1 59 59 VAL N N 15 121.5 0.2 . 1 . . . A 59 VAL N . 25464 1 586 . 1 1 60 60 ASP H H 1 8.58 0.02 . 1 . . . A 60 ASP H . 25464 1 587 . 1 1 60 60 ASP HA H 1 4.41 0.02 . 1 . . . A 60 ASP HA . 25464 1 588 . 1 1 60 60 ASP HB2 H 1 2.77 0.02 . 2 . . . A 60 ASP HB2 . 25464 1 589 . 1 1 60 60 ASP HB3 H 1 2.63 0.02 . 2 . . . A 60 ASP HB3 . 25464 1 590 . 1 1 60 60 ASP C C 13 178.3 0.2 . 1 . . . A 60 ASP C . 25464 1 591 . 1 1 60 60 ASP CA C 13 57.1 0.2 . 1 . . . A 60 ASP CA . 25464 1 592 . 1 1 60 60 ASP CB C 13 40.6 0.2 . 1 . . . A 60 ASP CB . 25464 1 593 . 1 1 60 60 ASP N N 15 120.0 0.2 . 1 . . . A 60 ASP N . 25464 1 594 . 1 1 61 61 GLN H H 1 7.81 0.02 . 1 . . . A 61 GLN H . 25464 1 595 . 1 1 61 61 GLN HA H 1 4.01 0.02 . 1 . . . A 61 GLN HA . 25464 1 596 . 1 1 61 61 GLN HB2 H 1 1.80 0.02 . 2 . . . A 61 GLN HB2 . 25464 1 597 . 1 1 61 61 GLN HB3 H 1 1.67 0.02 . 2 . . . A 61 GLN HB3 . 25464 1 598 . 1 1 61 61 GLN HG2 H 1 2.39 0.02 . 2 . . . A 61 GLN HG2 . 25464 1 599 . 1 1 61 61 GLN HG3 H 1 2.18 0.02 . 2 . . . A 61 GLN HG3 . 25464 1 600 . 1 1 61 61 GLN HE21 H 1 7.46 0.02 . 2 . . . A 61 GLN HE21 . 25464 1 601 . 1 1 61 61 GLN HE22 H 1 6.75 0.02 . 2 . . . A 61 GLN HE22 . 25464 1 602 . 1 1 61 61 GLN C C 13 176.7 0.2 . 1 . . . A 61 GLN C . 25464 1 603 . 1 1 61 61 GLN CA C 13 56.7 0.2 . 1 . . . A 61 GLN CA . 25464 1 604 . 1 1 61 61 GLN CB C 13 28.8 0.2 . 1 . . . A 61 GLN CB . 25464 1 605 . 1 1 61 61 GLN CG C 13 33.6 0.2 . 1 . . . A 61 GLN CG . 25464 1 606 . 1 1 61 61 GLN N N 15 114.5 0.2 . 1 . . . A 61 GLN N . 25464 1 607 . 1 1 61 61 GLN NE2 N 15 111.4 0.2 . 1 . . . A 61 GLN NE2 . 25464 1 608 . 1 1 62 62 HIS H H 1 7.73 0.02 . 1 . . . A 62 HIS H . 25464 1 609 . 1 1 62 62 HIS HA H 1 4.38 0.02 . 1 . . . A 62 HIS HA . 25464 1 610 . 1 1 62 62 HIS HB2 H 1 2.93 0.02 . 2 . . . A 62 HIS HB2 . 25464 1 611 . 1 1 62 62 HIS HB3 H 1 2.20 0.02 . 2 . . . A 62 HIS HB3 . 25464 1 612 . 1 1 62 62 HIS HE1 H 1 8.03 0.02 . 1 . . . A 62 HIS HE1 . 25464 1 613 . 1 1 62 62 HIS CA C 13 57.3 0.2 . 1 . . . A 62 HIS CA . 25464 1 614 . 1 1 62 62 HIS CB C 13 29.0 0.2 . 1 . . . A 62 HIS CB . 25464 1 615 . 1 1 62 62 HIS CE1 C 13 136.2 0.2 . 1 . . . A 62 HIS CE1 . 25464 1 616 . 1 1 62 62 HIS N N 15 115.1 0.2 . 1 . . . A 62 HIS N . 25464 1 617 . 1 1 63 63 TRP H H 1 8.18 0.02 . 1 . . . A 63 TRP H . 25464 1 618 . 1 1 63 63 TRP HD1 H 1 7.41 0.02 . 1 . . . A 63 TRP HD1 . 25464 1 619 . 1 1 63 63 TRP HE1 H 1 10.36 0.02 . 1 . . . A 63 TRP HE1 . 25464 1 620 . 1 1 63 63 TRP HE3 H 1 7.68 0.02 . 1 . . . A 63 TRP HE3 . 25464 1 621 . 1 1 63 63 TRP HZ2 H 1 7.53 0.02 . 1 . . . A 63 TRP HZ2 . 25464 1 622 . 1 1 63 63 TRP HZ3 H 1 7.08 0.02 . 1 . . . A 63 TRP HZ3 . 25464 1 623 . 1 1 63 63 TRP HH2 H 1 7.19 0.02 . 1 . . . A 63 TRP HH2 . 25464 1 624 . 1 1 63 63 TRP CA C 13 58.8 0.2 . 1 . . . A 63 TRP CA . 25464 1 625 . 1 1 63 63 TRP CB C 13 29.7 0.2 . 1 . . . A 63 TRP CB . 25464 1 626 . 1 1 63 63 TRP CD1 C 13 127.5 0.2 . 1 . . . A 63 TRP CD1 . 25464 1 627 . 1 1 63 63 TRP CE3 C 13 121.5 0.2 . 1 . . . A 63 TRP CE3 . 25464 1 628 . 1 1 63 63 TRP CZ2 C 13 114.8 0.2 . 1 . . . A 63 TRP CZ2 . 25464 1 629 . 1 1 63 63 TRP CZ3 C 13 121.7 0.2 . 1 . . . A 63 TRP CZ3 . 25464 1 630 . 1 1 63 63 TRP CH2 C 13 124.4 0.2 . 1 . . . A 63 TRP CH2 . 25464 1 631 . 1 1 63 63 TRP N N 15 121.5 0.2 . 1 . . . A 63 TRP N . 25464 1 632 . 1 1 63 63 TRP NE1 N 15 130.1 0.2 . 1 . . . A 63 TRP NE1 . 25464 1 633 . 1 1 64 64 THR H H 1 7.94 0.02 . 1 . . . A 64 THR H . 25464 1 634 . 1 1 64 64 THR HA H 1 4.18 0.02 . 1 . . . A 64 THR HA . 25464 1 635 . 1 1 64 64 THR HB H 1 4.16 0.02 . 1 . . . A 64 THR HB . 25464 1 636 . 1 1 64 64 THR HG21 H 1 1.08 0.02 . 1 . . . A 64 THR HG21 . 25464 1 637 . 1 1 64 64 THR HG22 H 1 1.08 0.02 . 1 . . . A 64 THR HG22 . 25464 1 638 . 1 1 64 64 THR HG23 H 1 1.08 0.02 . 1 . . . A 64 THR HG23 . 25464 1 639 . 1 1 64 64 THR CA C 13 62.1 0.2 . 1 . . . A 64 THR CA . 25464 1 640 . 1 1 64 64 THR CB C 13 69.5 0.2 . 1 . . . A 64 THR CB . 25464 1 641 . 1 1 64 64 THR CG2 C 13 21.4 0.2 . 1 . . . A 64 THR CG2 . 25464 1 642 . 1 1 64 64 THR N N 15 114.9 0.2 . 1 . . . A 64 THR N . 25464 1 643 . 1 1 65 65 ASP H H 1 8.34 0.02 . 1 . . . A 65 ASP H . 25464 1 644 . 1 1 65 65 ASP CA C 13 54.4 0.2 . 1 . . . A 65 ASP CA . 25464 1 645 . 1 1 65 65 ASP CB C 13 41.1 0.2 . 1 . . . A 65 ASP CB . 25464 1 646 . 1 1 65 65 ASP N N 15 122.9 0.2 . 1 . . . A 65 ASP N . 25464 1 647 . 1 1 66 66 ILE H H 1 8.25 0.02 . 1 . . . A 66 ILE H . 25464 1 648 . 1 1 66 66 ILE HA H 1 4.16 0.02 . 1 . . . A 66 ILE HA . 25464 1 649 . 1 1 66 66 ILE HB H 1 1.85 0.02 . 1 . . . A 66 ILE HB . 25464 1 650 . 1 1 66 66 ILE HG12 H 1 1.44 0.02 . 2 . . . A 66 ILE HG12 . 25464 1 651 . 1 1 66 66 ILE HG13 H 1 1.16 0.02 . 2 . . . A 66 ILE HG13 . 25464 1 652 . 1 1 66 66 ILE HG21 H 1 0.88 0.02 . 1 . . . A 66 ILE HG21 . 25464 1 653 . 1 1 66 66 ILE HG22 H 1 0.88 0.02 . 1 . . . A 66 ILE HG22 . 25464 1 654 . 1 1 66 66 ILE HG23 H 1 0.88 0.02 . 1 . . . A 66 ILE HG23 . 25464 1 655 . 1 1 66 66 ILE HD11 H 1 0.74 0.02 . 1 . . . A 66 ILE HD11 . 25464 1 656 . 1 1 66 66 ILE HD12 H 1 0.74 0.02 . 1 . . . A 66 ILE HD12 . 25464 1 657 . 1 1 66 66 ILE HD13 H 1 0.74 0.02 . 1 . . . A 66 ILE HD13 . 25464 1 658 . 1 1 66 66 ILE CA C 13 61.1 0.2 . 1 . . . A 66 ILE CA . 25464 1 659 . 1 1 66 66 ILE CB C 13 38.5 0.2 . 1 . . . A 66 ILE CB . 25464 1 660 . 1 1 66 66 ILE CG1 C 13 27.3 0.2 . 1 . . . A 66 ILE CG1 . 25464 1 661 . 1 1 66 66 ILE CG2 C 13 17.5 0.2 . 1 . . . A 66 ILE CG2 . 25464 1 662 . 1 1 66 66 ILE CD1 C 13 12.7 0.2 . 1 . . . A 66 ILE CD1 . 25464 1 663 . 1 1 66 66 ILE N N 15 122.2 0.2 . 1 . . . A 66 ILE N . 25464 1 664 . 1 1 67 67 ARG H H 1 8.49 0.02 . 1 . . . A 67 ARG H . 25464 1 665 . 1 1 67 67 ARG CA C 13 53.9 0.2 . 1 . . . A 67 ARG CA . 25464 1 666 . 1 1 67 67 ARG CB C 13 30.0 0.2 . 1 . . . A 67 ARG CB . 25464 1 667 . 1 1 67 67 ARG N N 15 124.0 0.2 . 1 . . . A 67 ARG N . 25464 1 668 . 1 1 68 68 PRO HA H 1 4.44 0.02 . 1 . . . A 68 PRO HA . 25464 1 669 . 1 1 68 68 PRO HB2 H 1 2.32 0.02 . 2 . . . A 68 PRO HB2 . 25464 1 670 . 1 1 68 68 PRO HB3 H 1 1.91 0.02 . 2 . . . A 68 PRO HB3 . 25464 1 671 . 1 1 68 68 PRO HG2 H 1 2.04 0.02 . 2 . . . A 68 PRO HG2 . 25464 1 672 . 1 1 68 68 PRO HG3 H 1 2.04 0.02 . 2 . . . A 68 PRO HG3 . 25464 1 673 . 1 1 68 68 PRO HD2 H 1 3.89 0.02 . 2 . . . A 68 PRO HD2 . 25464 1 674 . 1 1 68 68 PRO HD3 H 1 3.60 0.02 . 2 . . . A 68 PRO HD3 . 25464 1 675 . 1 1 68 68 PRO CA C 13 63.1 0.2 . 1 . . . A 68 PRO CA . 25464 1 676 . 1 1 68 68 PRO CB C 13 32.1 0.2 . 1 . . . A 68 PRO CB . 25464 1 677 . 1 1 68 68 PRO CG C 13 27.6 0.2 . 1 . . . A 68 PRO CG . 25464 1 678 . 1 1 68 68 PRO CD C 13 50.6 0.2 . 1 . . . A 68 PRO CD . 25464 1 679 . 1 1 69 69 LYS H H 1 8.27 0.02 . 1 . . . A 69 LYS H . 25464 1 680 . 1 1 69 69 LYS HA H 1 4.33 0.02 . 1 . . . A 69 LYS HA . 25464 1 681 . 1 1 69 69 LYS HB2 H 1 1.80 0.02 . 2 . . . A 69 LYS HB2 . 25464 1 682 . 1 1 69 69 LYS HB3 H 1 1.73 0.02 . 2 . . . A 69 LYS HB3 . 25464 1 683 . 1 1 69 69 LYS HG2 H 1 1.42 0.02 . 2 . . . A 69 LYS HG2 . 25464 1 684 . 1 1 69 69 LYS HG3 H 1 1.36 0.02 . 2 . . . A 69 LYS HG3 . 25464 1 685 . 1 1 69 69 LYS HD2 H 1 1.67 0.02 . 2 . . . A 69 LYS HD2 . 25464 1 686 . 1 1 69 69 LYS HD3 H 1 1.67 0.02 . 2 . . . A 69 LYS HD3 . 25464 1 687 . 1 1 69 69 LYS HE2 H 1 3.00 0.02 . 2 . . . A 69 LYS HE2 . 25464 1 688 . 1 1 69 69 LYS HE3 H 1 3.00 0.02 . 2 . . . A 69 LYS HE3 . 25464 1 689 . 1 1 69 69 LYS C C 13 175.9 0.2 . 1 . . . A 69 LYS C . 25464 1 690 . 1 1 69 69 LYS CA C 13 56.3 0.2 . 1 . . . A 69 LYS CA . 25464 1 691 . 1 1 69 69 LYS CB C 13 33.0 0.2 . 1 . . . A 69 LYS CB . 25464 1 692 . 1 1 69 69 LYS CG C 13 24.8 0.2 . 1 . . . A 69 LYS CG . 25464 1 693 . 1 1 69 69 LYS CD C 13 29.0 0.2 . 1 . . . A 69 LYS CD . 25464 1 694 . 1 1 69 69 LYS CE C 13 42.1 0.2 . 1 . . . A 69 LYS CE . 25464 1 695 . 1 1 70 70 SER H H 1 8.14 0.02 . 1 . . . A 70 SER H . 25464 1 696 . 1 1 70 70 SER HA H 1 4.58 0.02 . 1 . . . A 70 SER HA . 25464 1 697 . 1 1 70 70 SER CA C 13 59.9 0.2 . 1 . . . A 70 SER CA . 25464 1 698 . 1 1 70 70 SER CB C 13 65.1 0.2 . 1 . . . A 70 SER CB . 25464 1 699 . 1 1 70 70 SER N N 15 122.3 0.2 . 1 . . . A 70 SER N . 25464 1 700 . 1 1 75 75 LEU HA H 1 4.32 0.02 . 1 . . . A 75 LEU HA . 25464 1 701 . 1 1 75 75 LEU HB2 H 1 1.68 0.02 . 2 . . . A 75 LEU HB2 . 25464 1 702 . 1 1 75 75 LEU HB3 H 1 1.59 0.02 . 2 . . . A 75 LEU HB3 . 25464 1 703 . 1 1 75 75 LEU HG H 1 1.67 0.02 . 1 . . . A 75 LEU HG . 25464 1 704 . 1 1 75 75 LEU HD11 H 1 0.86 0.02 . 2 . . . A 75 LEU HD11 . 25464 1 705 . 1 1 75 75 LEU HD12 H 1 0.86 0.02 . 2 . . . A 75 LEU HD12 . 25464 1 706 . 1 1 75 75 LEU HD13 H 1 0.86 0.02 . 2 . . . A 75 LEU HD13 . 25464 1 707 . 1 1 75 75 LEU HD21 H 1 0.83 0.02 . 2 . . . A 75 LEU HD21 . 25464 1 708 . 1 1 75 75 LEU HD22 H 1 0.83 0.02 . 2 . . . A 75 LEU HD22 . 25464 1 709 . 1 1 75 75 LEU HD23 H 1 0.83 0.02 . 2 . . . A 75 LEU HD23 . 25464 1 710 . 1 1 75 75 LEU CA C 13 55.4 0.2 . 1 . . . A 75 LEU CA . 25464 1 711 . 1 1 75 75 LEU CB C 13 42.1 0.2 . 1 . . . A 75 LEU CB . 25464 1 712 . 1 1 75 75 LEU CG C 13 26.8 0.2 . 1 . . . A 75 LEU CG . 25464 1 713 . 1 1 75 75 LEU CD1 C 13 25.0 0.2 . 2 . . . A 75 LEU CD1 . 25464 1 714 . 1 1 75 75 LEU CD2 C 13 23.2 0.2 . 2 . . . A 75 LEU CD2 . 25464 1 715 . 1 1 76 76 ALA H H 1 8.20 0.02 . 1 . . . A 76 ALA H . 25464 1 716 . 1 1 76 76 ALA HA H 1 4.33 0.02 . 1 . . . A 76 ALA HA . 25464 1 717 . 1 1 76 76 ALA HB1 H 1 1.43 0.02 . 1 . . . A 76 ALA HB1 . 25464 1 718 . 1 1 76 76 ALA HB2 H 1 1.43 0.02 . 1 . . . A 76 ALA HB2 . 25464 1 719 . 1 1 76 76 ALA HB3 H 1 1.43 0.02 . 1 . . . A 76 ALA HB3 . 25464 1 720 . 1 1 76 76 ALA CA C 13 52.7 0.2 . 1 . . . A 76 ALA CA . 25464 1 721 . 1 1 76 76 ALA CB C 13 19.0 0.2 . 1 . . . A 76 ALA CB . 25464 1 722 . 1 1 76 76 ALA N N 15 124.0 0.2 . 1 . . . A 76 ALA N . 25464 1 723 . 1 1 77 77 SER H H 1 8.21 0.02 . 1 . . . A 77 SER H . 25464 1 724 . 1 1 77 77 SER HA H 1 4.45 0.02 . 1 . . . A 77 SER HA . 25464 1 725 . 1 1 77 77 SER HB2 H 1 3.92 0.02 . 2 . . . A 77 SER HB2 . 25464 1 726 . 1 1 77 77 SER HB3 H 1 3.79 0.02 . 2 . . . A 77 SER HB3 . 25464 1 727 . 1 1 77 77 SER CA C 13 58.2 0.2 . 1 . . . A 77 SER CA . 25464 1 728 . 1 1 77 77 SER CB C 13 63.9 0.2 . 1 . . . A 77 SER CB . 25464 1 729 . 1 1 77 77 SER N N 15 114.1 0.2 . 1 . . . A 77 SER N . 25464 1 730 . 1 1 78 78 GLY H H 1 8.39 0.02 . 1 . . . A 78 GLY H . 25464 1 731 . 1 1 78 78 GLY HA2 H 1 4.05 0.02 . 2 . . . A 78 GLY HA2 . 25464 1 732 . 1 1 78 78 GLY HA3 H 1 4.05 0.02 . 2 . . . A 78 GLY HA3 . 25464 1 733 . 1 1 78 78 GLY CA C 13 45.4 0.2 . 1 . . . A 78 GLY CA . 25464 1 734 . 1 1 78 78 GLY N N 15 110.5 0.2 . 1 . . . A 78 GLY N . 25464 1 735 . 1 1 79 79 GLN H H 1 8.25 0.02 . 1 . . . A 79 GLN H . 25464 1 736 . 1 1 79 79 GLN CA C 13 55.6 0.2 . 1 . . . A 79 GLN CA . 25464 1 737 . 1 1 79 79 GLN CB C 13 29.6 0.2 . 1 . . . A 79 GLN CB . 25464 1 738 . 1 1 79 79 GLN CG C 13 33.8 0.2 . 1 . . . A 79 GLN CG . 25464 1 739 . 1 1 79 79 GLN N N 15 119.6 0.2 . 1 . . . A 79 GLN N . 25464 1 740 . 1 1 80 80 GLY H H 1 8.15 0.02 . 1 . . . A 80 GLY H . 25464 1 741 . 1 1 80 80 GLY HA2 H 1 3.76 0.02 . 2 . . . A 80 GLY HA2 . 25464 1 742 . 1 1 80 80 GLY HA3 H 1 3.76 0.02 . 2 . . . A 80 GLY HA3 . 25464 1 743 . 1 1 80 80 GLY CA C 13 46.0 0.2 . 1 . . . A 80 GLY CA . 25464 1 744 . 1 1 80 80 GLY N N 15 116.1 0.2 . 1 . . . A 80 GLY N . 25464 1 stop_ save_