data_18190 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18190 _Entry.Title ; NMR structure of the protein BC008182, a DNAJ-like domain from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-09 _Entry.Accession_date 2012-01-09 _Entry.Last_release_date 2012-02-13 _Entry.Original_release_date 2012-02-13 _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 NMR' _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 Samit Dutta . K. . 18190 2 Pedro Serrano . . . 18190 3 Michael Geralt . . . 18190 4 Kurt Wuthrich . . . 18190 5 JCSG JCSG . . . 18190 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 18190 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Human DNAJ homolog' . 18190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 18190 '15N chemical shifts' 75 18190 '1H chemical shifts' 498 18190 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 . . 2012-02-13 2012-01-09 original author . 18190 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LO1 'BMRB Entry Tracking System' 18190 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18190 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein BC008182, DNAJ homolog from Homo sapiens' _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.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 18190 1 2 Pedro Serrano . . . 18190 1 3 Michael Geralt . . . 18190 1 4 Kurt Wuthrich . . . 18190 1 5 JCSG JCSG . . . 18190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18190 _Assembly.ID 1 _Assembly.Name BC008182 _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 BC008182 1 $entity A . yes native no no . . . 18190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18190 _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 ; GMVKETTYYDVLGVKPNATQ EELKKAYRKLALKYHPDKNP NEGEKFKQISQAYEVLSDAK KRELYDKGGEQ ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8224.376 _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 BMRB 19163 . J-domain_of_DnaJA1 . . . . . 94.37 77 100.00 100.00 1.70e-39 . . . . 18190 1 2 no PDB 2LO1 . "Nmr Structure Of The Protein Bc008182, A Dnaj-like Domain From Homo Sapiens" . . . . . 100.00 71 100.00 100.00 3.01e-42 . . . . 18190 1 3 no PDB 2M6Y . "The Solution Structure Of The J-domain Of Human Dnaja1" . . . . . 94.37 77 100.00 100.00 1.70e-39 . . . . 18190 1 4 no DBJ BAA02656 . "DnaJ protein homolog [Homo sapiens]" . . . . . 98.59 397 100.00 100.00 1.24e-38 . . . . 18190 1 5 no DBJ BAC38744 . "unnamed protein product [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 6 no DBJ BAC82111 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Cricetulus griseus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 7 no DBJ BAD82815 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 8 no DBJ BAE26788 . "unnamed protein product [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 9 no EMBL CAI29674 . "hypothetical protein [Pongo abelii]" . . . . . 98.59 396 100.00 100.00 1.30e-38 . . . . 18190 1 10 no GB AAA98855 . "DnaJ-like protein [Rattus norvegicus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 11 no GB AAC37517 . "DNAJ homologue-2 [Homo sapiens]" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 1 12 no GB AAC78597 . "DnaJ-like protein [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 13 no GB AAH08182 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Homo sapiens]" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 1 14 no GB AAH57876 . "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 15 no PIR S34632 . "dnaJ protein homolog - human" . . . . . 98.59 189 100.00 100.00 7.30e-41 . . . . 18190 1 16 no REF NP_001015637 . "dnaJ homolog subfamily A member 1 [Bos taurus]" . . . . . 98.59 397 100.00 100.00 1.19e-38 . . . . 18190 1 17 no REF NP_001127102 . "dnaJ homolog subfamily A member 1 [Pongo abelii]" . . . . . 98.59 396 100.00 100.00 1.30e-38 . . . . 18190 1 18 no REF NP_001158143 . "dnaJ homolog subfamily A member 1 [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 19 no REF NP_001158144 . "dnaJ homolog subfamily A member 1 [Mus musculus]" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 20 no REF NP_001231092 . "dnaJ homolog subfamily A member 1 [Sus scrofa]" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 1 21 no SP P31689 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=HSDJ; AltName: Full=Heat s" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 1 22 no SP P63036 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ-like protein 1; AltName: Full=Heat shock protein J2; Short=" . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 23 no SP P63037 . "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=Heat shock 40 kDa protein " . . . . . 98.59 397 97.14 100.00 9.42e-38 . . . . 18190 1 24 no SP Q5E954 . "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 1 25 no SP Q5NVI9 . "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" . . . . . 98.59 396 100.00 100.00 1.30e-38 . . . . 18190 1 26 no TPG DAA12974 . "TPA: DnaJ (Hsp40) homolog, subfamily A, member 1-like [Bos taurus]" . . . . . 98.59 397 100.00 100.00 1.24e-38 . . . . 18190 1 27 no TPG DAA26671 . "TPA: dnaJ homolog subfamily A member 1 [Bos taurus]" . . . . . 98.59 397 100.00 100.00 1.21e-38 . . . . 18190 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 . GLY . 18190 1 2 . MET . 18190 1 3 . VAL . 18190 1 4 . LYS . 18190 1 5 . GLU . 18190 1 6 . THR . 18190 1 7 . THR . 18190 1 8 . TYR . 18190 1 9 . TYR . 18190 1 10 . ASP . 18190 1 11 . VAL . 18190 1 12 . LEU . 18190 1 13 . GLY . 18190 1 14 . VAL . 18190 1 15 . LYS . 18190 1 16 . PRO . 18190 1 17 . ASN . 18190 1 18 . ALA . 18190 1 19 . THR . 18190 1 20 . GLN . 18190 1 21 . GLU . 18190 1 22 . GLU . 18190 1 23 . LEU . 18190 1 24 . LYS . 18190 1 25 . LYS . 18190 1 26 . ALA . 18190 1 27 . TYR . 18190 1 28 . ARG . 18190 1 29 . LYS . 18190 1 30 . LEU . 18190 1 31 . ALA . 18190 1 32 . LEU . 18190 1 33 . LYS . 18190 1 34 . TYR . 18190 1 35 . HIS . 18190 1 36 . PRO . 18190 1 37 . ASP . 18190 1 38 . LYS . 18190 1 39 . ASN . 18190 1 40 . PRO . 18190 1 41 . ASN . 18190 1 42 . GLU . 18190 1 43 . GLY . 18190 1 44 . GLU . 18190 1 45 . LYS . 18190 1 46 . PHE . 18190 1 47 . LYS . 18190 1 48 . GLN . 18190 1 49 . ILE . 18190 1 50 . SER . 18190 1 51 . GLN . 18190 1 52 . ALA . 18190 1 53 . TYR . 18190 1 54 . GLU . 18190 1 55 . VAL . 18190 1 56 . LEU . 18190 1 57 . SER . 18190 1 58 . ASP . 18190 1 59 . ALA . 18190 1 60 . LYS . 18190 1 61 . LYS . 18190 1 62 . ARG . 18190 1 63 . GLU . 18190 1 64 . LEU . 18190 1 65 . TYR . 18190 1 66 . ASP . 18190 1 67 . LYS . 18190 1 68 . GLY . 18190 1 69 . GLY . 18190 1 70 . GLU . 18190 1 71 . GLN . 18190 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 18190 1 . MET 2 2 18190 1 . VAL 3 3 18190 1 . LYS 4 4 18190 1 . GLU 5 5 18190 1 . THR 6 6 18190 1 . THR 7 7 18190 1 . TYR 8 8 18190 1 . TYR 9 9 18190 1 . ASP 10 10 18190 1 . VAL 11 11 18190 1 . LEU 12 12 18190 1 . GLY 13 13 18190 1 . VAL 14 14 18190 1 . LYS 15 15 18190 1 . PRO 16 16 18190 1 . ASN 17 17 18190 1 . ALA 18 18 18190 1 . THR 19 19 18190 1 . GLN 20 20 18190 1 . GLU 21 21 18190 1 . GLU 22 22 18190 1 . LEU 23 23 18190 1 . LYS 24 24 18190 1 . LYS 25 25 18190 1 . ALA 26 26 18190 1 . TYR 27 27 18190 1 . ARG 28 28 18190 1 . LYS 29 29 18190 1 . LEU 30 30 18190 1 . ALA 31 31 18190 1 . LEU 32 32 18190 1 . LYS 33 33 18190 1 . TYR 34 34 18190 1 . HIS 35 35 18190 1 . PRO 36 36 18190 1 . ASP 37 37 18190 1 . LYS 38 38 18190 1 . ASN 39 39 18190 1 . PRO 40 40 18190 1 . ASN 41 41 18190 1 . GLU 42 42 18190 1 . GLY 43 43 18190 1 . GLU 44 44 18190 1 . LYS 45 45 18190 1 . PHE 46 46 18190 1 . LYS 47 47 18190 1 . GLN 48 48 18190 1 . ILE 49 49 18190 1 . SER 50 50 18190 1 . GLN 51 51 18190 1 . ALA 52 52 18190 1 . TYR 53 53 18190 1 . GLU 54 54 18190 1 . VAL 55 55 18190 1 . LEU 56 56 18190 1 . SER 57 57 18190 1 . ASP 58 58 18190 1 . ALA 59 59 18190 1 . LYS 60 60 18190 1 . LYS 61 61 18190 1 . ARG 62 62 18190 1 . GLU 63 63 18190 1 . LEU 64 64 18190 1 . TYR 65 65 18190 1 . ASP 66 66 18190 1 . LYS 67 67 18190 1 . GLY 68 68 18190 1 . GLY 69 69 18190 1 . GLU 70 70 18190 1 . GLN 71 71 18190 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 18190 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18190 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 18190 _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 . . . . . . . . . . . . . . . . pSpeedet . . . . . . 18190 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18190 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 18190 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18190 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18190 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18190 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18190 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18190 1 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 18190 _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 'ionic strength' 0.080 . M 18190 1 pH 6.0 . pH 18190 1 pressure 1 . atm 18190 1 temperature 298 . K 18190 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18190 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 18190 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18190 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18190 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 18190 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18190 2 processing 18190 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18190 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18190 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18190 3 'data analysis' 18190 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18190 _Software.ID 4 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18190 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18190 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18190 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18190 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 18190 _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 . . . . . . . . . . . . . . . . 18190 1 2 '4D HACANH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 1 3 '5D HACACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 1 4 '5D CBCACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18190 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 18190 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18190 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18190 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18190 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 18190 _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 '2D 1H-15N HSQC' . . . 18190 1 2 '4D HACANH APSY' . . . 18190 1 3 '5D HACACONH APSY' . . . 18190 1 4 '5D CBCACONH APSY' . . . 18190 1 5 '3D 1H-15N NOESY' . . . 18190 1 6 '3D 1H-13C NOESY aliphatic' . . . 18190 1 7 '3D 1H-13C NOESY aromatic' . . . 18190 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 MET H H 1 8.153 0.005 . 1 . . . A 2 MET H . 18190 1 2 . 1 1 2 2 MET HA H 1 4.407 0.005 . 1 . . . A 2 MET HA . 18190 1 3 . 1 1 2 2 MET CA C 13 53.075 0.137 . 1 . . . A 2 MET CA . 18190 1 4 . 1 1 2 2 MET CB C 13 30.729 0.137 . 1 . . . A 2 MET CB . 18190 1 5 . 1 1 2 2 MET N N 15 121.418 0.091 . 1 . . . A 2 MET N . 18190 1 6 . 1 1 3 3 VAL H H 1 8.154 0.005 . 1 . . . A 3 VAL H . 18190 1 7 . 1 1 3 3 VAL HA H 1 4.084 0.005 . 1 . . . A 3 VAL HA . 18190 1 8 . 1 1 3 3 VAL HB H 1 1.998 0.005 . 1 . . . A 3 VAL HB . 18190 1 9 . 1 1 3 3 VAL HG11 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 10 . 1 1 3 3 VAL HG12 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 11 . 1 1 3 3 VAL HG13 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 12 . 1 1 3 3 VAL HG21 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 13 . 1 1 3 3 VAL HG22 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 14 . 1 1 3 3 VAL HG23 H 1 0.807 0.005 . 1 . . . A 3 VAL QQG . 18190 1 15 . 1 1 3 3 VAL CA C 13 59.255 0.137 . 1 . . . A 3 VAL CA . 18190 1 16 . 1 1 3 3 VAL CB C 13 30.362 0.137 . 1 . . . A 3 VAL CB . 18190 1 17 . 1 1 3 3 VAL CG1 C 13 18.025 0.137 . 2 . . . A 3 VAL CG1 . 18190 1 18 . 1 1 3 3 VAL CG2 C 13 18.278 0.137 . 2 . . . A 3 VAL CG2 . 18190 1 19 . 1 1 3 3 VAL N N 15 121.368 0.091 . 1 . . . A 3 VAL N . 18190 1 20 . 1 1 4 4 LYS H H 1 8.350 0.005 . 1 . . . A 4 LYS H . 18190 1 21 . 1 1 4 4 LYS HA H 1 4.166 0.005 . 1 . . . A 4 LYS HA . 18190 1 22 . 1 1 4 4 LYS HB2 H 1 1.650 0.005 . 2 . . . A 4 LYS QB . 18190 1 23 . 1 1 4 4 LYS HB3 H 1 1.650 0.005 . 2 . . . A 4 LYS QB . 18190 1 24 . 1 1 4 4 LYS HG2 H 1 1.304 0.005 . 2 . . . A 4 LYS QG . 18190 1 25 . 1 1 4 4 LYS HG3 H 1 1.304 0.005 . 2 . . . A 4 LYS QG . 18190 1 26 . 1 1 4 4 LYS HD2 H 1 2.005 0.005 . 2 . . . A 4 LYS QD . 18190 1 27 . 1 1 4 4 LYS HD3 H 1 2.005 0.005 . 2 . . . A 4 LYS QD . 18190 1 28 . 1 1 4 4 LYS CA C 13 53.906 0.137 . 1 . . . A 4 LYS CA . 18190 1 29 . 1 1 4 4 LYS CB C 13 30.454 0.137 . 1 . . . A 4 LYS CB . 18190 1 30 . 1 1 4 4 LYS CG C 13 22.303 0.137 . 1 . . . A 4 LYS CG . 18190 1 31 . 1 1 4 4 LYS CD C 13 30.344 0.137 . 1 . . . A 4 LYS CD . 18190 1 32 . 1 1 4 4 LYS N N 15 126.046 0.091 . 1 . . . A 4 LYS N . 18190 1 33 . 1 1 5 5 GLU H H 1 8.515 0.005 . 1 . . . A 5 GLU H . 18190 1 34 . 1 1 5 5 GLU HA H 1 4.327 0.005 . 1 . . . A 5 GLU HA . 18190 1 35 . 1 1 5 5 GLU HB2 H 1 1.815 0.005 . 2 . . . A 5 GLU HB2 . 18190 1 36 . 1 1 5 5 GLU HB3 H 1 1.926 0.005 . 2 . . . A 5 GLU HB3 . 18190 1 37 . 1 1 5 5 GLU HG2 H 1 2.137 0.005 . 2 . . . A 5 GLU QG . 18190 1 38 . 1 1 5 5 GLU HG3 H 1 2.137 0.005 . 2 . . . A 5 GLU QG . 18190 1 39 . 1 1 5 5 GLU CA C 13 53.477 0.137 . 1 . . . A 5 GLU CA . 18190 1 40 . 1 1 5 5 GLU CB C 13 28.171 0.137 . 1 . . . A 5 GLU CB . 18190 1 41 . 1 1 5 5 GLU CG C 13 33.556 0.137 . 1 . . . A 5 GLU CG . 18190 1 42 . 1 1 5 5 GLU N N 15 122.437 0.091 . 1 . . . A 5 GLU N . 18190 1 43 . 1 1 6 6 THR H H 1 8.374 0.005 . 1 . . . A 6 THR H . 18190 1 44 . 1 1 6 6 THR HA H 1 4.543 0.005 . 1 . . . A 6 THR HA . 18190 1 45 . 1 1 6 6 THR HB H 1 4.323 0.005 . 1 . . . A 6 THR HB . 18190 1 46 . 1 1 6 6 THR HG21 H 1 1.128 0.005 . 1 . . . A 6 THR QG2 . 18190 1 47 . 1 1 6 6 THR HG22 H 1 1.128 0.005 . 1 . . . A 6 THR QG2 . 18190 1 48 . 1 1 6 6 THR HG23 H 1 1.128 0.005 . 1 . . . A 6 THR QG2 . 18190 1 49 . 1 1 6 6 THR CA C 13 59.305 0.137 . 1 . . . A 6 THR CA . 18190 1 50 . 1 1 6 6 THR CB C 13 67.029 0.137 . 1 . . . A 6 THR CB . 18190 1 51 . 1 1 6 6 THR CG2 C 13 19.219 0.137 . 1 . . . A 6 THR CG2 . 18190 1 52 . 1 1 6 6 THR N N 15 114.535 0.091 . 1 . . . A 6 THR N . 18190 1 53 . 1 1 7 7 THR H H 1 8.600 0.005 . 1 . . . A 7 THR H . 18190 1 54 . 1 1 7 7 THR HA H 1 4.310 0.005 . 1 . . . A 7 THR HA . 18190 1 55 . 1 1 7 7 THR HB H 1 4.540 0.005 . 1 . . . A 7 THR HB . 18190 1 56 . 1 1 7 7 THR HG21 H 1 1.292 0.005 . 1 . . . A 7 THR QG2 . 18190 1 57 . 1 1 7 7 THR HG22 H 1 1.292 0.005 . 1 . . . A 7 THR QG2 . 18190 1 58 . 1 1 7 7 THR HG23 H 1 1.292 0.005 . 1 . . . A 7 THR QG2 . 18190 1 59 . 1 1 7 7 THR CA C 13 60.160 0.137 . 1 . . . A 7 THR CA . 18190 1 60 . 1 1 7 7 THR CB C 13 68.820 0.137 . 1 . . . A 7 THR CB . 18190 1 61 . 1 1 7 7 THR CG2 C 13 19.089 0.137 . 1 . . . A 7 THR CG2 . 18190 1 62 . 1 1 7 7 THR N N 15 117.101 0.091 . 1 . . . A 7 THR N . 18190 1 63 . 1 1 8 8 TYR H H 1 8.270 0.005 . 1 . . . A 8 TYR H . 18190 1 64 . 1 1 8 8 TYR HA H 1 4.291 0.005 . 1 . . . A 8 TYR HA . 18190 1 65 . 1 1 8 8 TYR HB2 H 1 2.573 0.005 . 2 . . . A 8 TYR HB2 . 18190 1 66 . 1 1 8 8 TYR HB3 H 1 1.969 0.005 . 2 . . . A 8 TYR HB3 . 18190 1 67 . 1 1 8 8 TYR HD1 H 1 6.084 0.005 . 3 . . . A 8 TYR QD . 18190 1 68 . 1 1 8 8 TYR HD2 H 1 6.084 0.005 . 3 . . . A 8 TYR QD . 18190 1 69 . 1 1 8 8 TYR HE1 H 1 6.543 0.005 . 3 . . . A 8 TYR QE . 18190 1 70 . 1 1 8 8 TYR HE2 H 1 6.543 0.005 . 3 . . . A 8 TYR QE . 18190 1 71 . 1 1 8 8 TYR CA C 13 54.876 0.137 . 1 . . . A 8 TYR CA . 18190 1 72 . 1 1 8 8 TYR CB C 13 34.404 0.137 . 1 . . . A 8 TYR CB . 18190 1 73 . 1 1 8 8 TYR CD1 C 13 127.284 0.137 . 3 . . . A 8 TYR CD1 . 18190 1 74 . 1 1 8 8 TYR CD2 C 13 127.280 0.137 . 3 . . . A 8 TYR CD2 . 18190 1 75 . 1 1 8 8 TYR CE1 C 13 115.489 0.137 . 3 . . . A 8 TYR CE1 . 18190 1 76 . 1 1 8 8 TYR CE2 C 13 115.480 0.137 . 3 . . . A 8 TYR CE2 . 18190 1 77 . 1 1 8 8 TYR N N 15 117.507 0.091 . 1 . . . A 8 TYR N . 18190 1 78 . 1 1 9 9 TYR H H 1 7.026 0.005 . 1 . . . A 9 TYR H . 18190 1 79 . 1 1 9 9 TYR HA H 1 3.760 0.005 . 1 . . . A 9 TYR HA . 18190 1 80 . 1 1 9 9 TYR HB2 H 1 3.014 0.005 . 2 . . . A 9 TYR HB2 . 18190 1 81 . 1 1 9 9 TYR HB3 H 1 2.721 0.005 . 2 . . . A 9 TYR HB3 . 18190 1 82 . 1 1 9 9 TYR HD1 H 1 6.930 0.005 . 3 . . . A 9 TYR QD . 18190 1 83 . 1 1 9 9 TYR HD2 H 1 6.930 0.005 . 3 . . . A 9 TYR QD . 18190 1 84 . 1 1 9 9 TYR HE1 H 1 6.888 0.005 . 3 . . . A 9 TYR QE . 18190 1 85 . 1 1 9 9 TYR HE2 H 1 6.888 0.005 . 3 . . . A 9 TYR QE . 18190 1 86 . 1 1 9 9 TYR CA C 13 58.792 0.137 . 1 . . . A 9 TYR CA . 18190 1 87 . 1 1 9 9 TYR CB C 13 33.994 0.137 . 1 . . . A 9 TYR CB . 18190 1 88 . 1 1 9 9 TYR CD2 C 13 130.055 0.137 . 3 . . . A 9 TYR CD2 . 18190 1 89 . 1 1 9 9 TYR CE2 C 13 116.019 0.137 . 3 . . . A 9 TYR CE2 . 18190 1 90 . 1 1 9 9 TYR N N 15 115.054 0.091 . 1 . . . A 9 TYR N . 18190 1 91 . 1 1 10 10 ASP H H 1 7.803 0.005 . 1 . . . A 10 ASP H . 18190 1 92 . 1 1 10 10 ASP HA H 1 4.387 0.005 . 1 . . . A 10 ASP HA . 18190 1 93 . 1 1 10 10 ASP HB2 H 1 2.705 0.005 . 2 . . . A 10 ASP HB2 . 18190 1 94 . 1 1 10 10 ASP HB3 H 1 2.986 0.005 . 2 . . . A 10 ASP HB3 . 18190 1 95 . 1 1 10 10 ASP CA C 13 54.822 0.137 . 1 . . . A 10 ASP CA . 18190 1 96 . 1 1 10 10 ASP CB C 13 38.028 0.137 . 1 . . . A 10 ASP CB . 18190 1 97 . 1 1 10 10 ASP N N 15 119.619 0.091 . 1 . . . A 10 ASP N . 18190 1 98 . 1 1 11 11 VAL H H 1 8.068 0.005 . 1 . . . A 11 VAL H . 18190 1 99 . 1 1 11 11 VAL HA H 1 3.617 0.005 . 1 . . . A 11 VAL HA . 18190 1 100 . 1 1 11 11 VAL HB H 1 2.122 0.005 . 1 . . . A 11 VAL HB . 18190 1 101 . 1 1 11 11 VAL HG11 H 1 0.779 0.005 . 2 . . . A 11 VAL QG1 . 18190 1 102 . 1 1 11 11 VAL HG12 H 1 0.779 0.005 . 2 . . . A 11 VAL QG1 . 18190 1 103 . 1 1 11 11 VAL HG13 H 1 0.779 0.005 . 2 . . . A 11 VAL QG1 . 18190 1 104 . 1 1 11 11 VAL HG21 H 1 0.998 0.005 . 2 . . . A 11 VAL QG2 . 18190 1 105 . 1 1 11 11 VAL HG22 H 1 0.998 0.005 . 2 . . . A 11 VAL QG2 . 18190 1 106 . 1 1 11 11 VAL HG23 H 1 0.998 0.005 . 2 . . . A 11 VAL QG2 . 18190 1 107 . 1 1 11 11 VAL CA C 13 63.106 0.137 . 1 . . . A 11 VAL CA . 18190 1 108 . 1 1 11 11 VAL CB C 13 29.054 0.137 . 1 . . . A 11 VAL CB . 18190 1 109 . 1 1 11 11 VAL CG1 C 13 19.750 0.137 . 2 . . . A 11 VAL CG1 . 18190 1 110 . 1 1 11 11 VAL CG2 C 13 20.185 0.137 . 2 . . . A 11 VAL CG2 . 18190 1 111 . 1 1 11 11 VAL N N 15 119.730 0.091 . 1 . . . A 11 VAL N . 18190 1 112 . 1 1 12 12 LEU H H 1 6.822 0.005 . 1 . . . A 12 LEU H . 18190 1 113 . 1 1 12 12 LEU HA H 1 4.265 0.005 . 1 . . . A 12 LEU HA . 18190 1 114 . 1 1 12 12 LEU HB2 H 1 1.701 0.005 . 2 . . . A 12 LEU HB2 . 18190 1 115 . 1 1 12 12 LEU HB3 H 1 1.560 0.005 . 2 . . . A 12 LEU HB3 . 18190 1 116 . 1 1 12 12 LEU HG H 1 1.745 0.005 . 1 . . . A 12 LEU HG . 18190 1 117 . 1 1 12 12 LEU HD21 H 1 0.927 0.005 . 2 . . . A 12 LEU QD2 . 18190 1 118 . 1 1 12 12 LEU HD22 H 1 0.927 0.005 . 2 . . . A 12 LEU QD2 . 18190 1 119 . 1 1 12 12 LEU HD23 H 1 0.927 0.005 . 2 . . . A 12 LEU QD2 . 18190 1 120 . 1 1 12 12 LEU CA C 13 51.804 0.137 . 1 . . . A 12 LEU CA . 18190 1 121 . 1 1 12 12 LEU CB C 13 40.361 0.137 . 1 . . . A 12 LEU CB . 18190 1 122 . 1 1 12 12 LEU CG C 13 24.582 0.137 . 1 . . . A 12 LEU CG . 18190 1 123 . 1 1 12 12 LEU CD2 C 13 21.167 0.137 . 2 . . . A 12 LEU CD2 . 18190 1 124 . 1 1 12 12 LEU N N 15 115.420 0.091 . 1 . . . A 12 LEU N . 18190 1 125 . 1 1 13 13 GLY H H 1 7.877 0.005 . 1 . . . A 13 GLY H . 18190 1 126 . 1 1 13 13 GLY HA2 H 1 3.895 0.005 . 2 . . . A 13 GLY QA . 18190 1 127 . 1 1 13 13 GLY HA3 H 1 3.895 0.005 . 2 . . . A 13 GLY QA . 18190 1 128 . 1 1 13 13 GLY CA C 13 43.828 0.137 . 1 . . . A 13 GLY CA . 18190 1 129 . 1 1 13 13 GLY N N 15 108.195 0.091 . 1 . . . A 13 GLY N . 18190 1 130 . 1 1 14 14 VAL H H 1 7.802 0.005 . 1 . . . A 14 VAL H . 18190 1 131 . 1 1 14 14 VAL HA H 1 4.761 0.005 . 1 . . . A 14 VAL HA . 18190 1 132 . 1 1 14 14 VAL HB H 1 2.397 0.005 . 1 . . . A 14 VAL HB . 18190 1 133 . 1 1 14 14 VAL HG11 H 1 0.888 0.005 . 2 . . . A 14 VAL QG1 . 18190 1 134 . 1 1 14 14 VAL HG12 H 1 0.888 0.005 . 2 . . . A 14 VAL QG1 . 18190 1 135 . 1 1 14 14 VAL HG13 H 1 0.888 0.005 . 2 . . . A 14 VAL QG1 . 18190 1 136 . 1 1 14 14 VAL HG21 H 1 0.723 0.005 . 2 . . . A 14 VAL QG2 . 18190 1 137 . 1 1 14 14 VAL HG22 H 1 0.723 0.005 . 2 . . . A 14 VAL QG2 . 18190 1 138 . 1 1 14 14 VAL HG23 H 1 0.723 0.005 . 2 . . . A 14 VAL QG2 . 18190 1 139 . 1 1 14 14 VAL CA C 13 55.615 0.137 . 1 . . . A 14 VAL CA . 18190 1 140 . 1 1 14 14 VAL CB C 13 32.437 0.137 . 1 . . . A 14 VAL CB . 18190 1 141 . 1 1 14 14 VAL CG1 C 13 16.840 0.137 . 2 . . . A 14 VAL CG1 . 18190 1 142 . 1 1 14 14 VAL CG2 C 13 19.058 0.137 . 2 . . . A 14 VAL CG2 . 18190 1 143 . 1 1 14 14 VAL N N 15 110.659 0.091 . 1 . . . A 14 VAL N . 18190 1 144 . 1 1 15 15 LYS H H 1 8.325 0.005 . 1 . . . A 15 LYS H . 18190 1 145 . 1 1 15 15 LYS HA H 1 4.484 0.005 . 1 . . . A 15 LYS HA . 18190 1 146 . 1 1 15 15 LYS HB2 H 1 2.391 0.005 . 2 . . . A 15 LYS QB . 18190 1 147 . 1 1 15 15 LYS HB3 H 1 2.391 0.005 . 2 . . . A 15 LYS QB . 18190 1 148 . 1 1 15 15 LYS HG2 H 1 1.463 0.005 . 2 . . . A 15 LYS HG2 . 18190 1 149 . 1 1 15 15 LYS HG3 H 1 1.390 0.005 . 2 . . . A 15 LYS HG3 . 18190 1 150 . 1 1 15 15 LYS HD2 H 1 1.747 0.005 . 2 . . . A 15 LYS HD2 . 18190 1 151 . 1 1 15 15 LYS HD3 H 1 1.597 0.005 . 2 . . . A 15 LYS HD3 . 18190 1 152 . 1 1 15 15 LYS CA C 13 51.224 0.137 . 1 . . . A 15 LYS CA . 18190 1 153 . 1 1 15 15 LYS CB C 13 32.423 0.137 . 1 . . . A 15 LYS CB . 18190 1 154 . 1 1 15 15 LYS CG C 13 22.612 0.137 . 1 . . . A 15 LYS CG . 18190 1 155 . 1 1 15 15 LYS CD C 13 29.713 0.137 . 1 . . . A 15 LYS CD . 18190 1 156 . 1 1 15 15 LYS N N 15 119.857 0.091 . 1 . . . A 15 LYS N . 18190 1 157 . 1 1 16 16 PRO HA H 1 2.404 0.005 . 1 . . . A 16 PRO HA . 18190 1 158 . 1 1 16 16 PRO HB2 H 1 1.705 0.005 . 2 . . . A 16 PRO HB2 . 18190 1 159 . 1 1 16 16 PRO HB3 H 1 1.464 0.005 . 2 . . . A 16 PRO HB3 . 18190 1 160 . 1 1 16 16 PRO HG2 H 1 1.830 0.005 . 2 . . . A 16 PRO HG2 . 18190 1 161 . 1 1 16 16 PRO HG3 H 1 1.479 0.005 . 2 . . . A 16 PRO HG3 . 18190 1 162 . 1 1 16 16 PRO HD2 H 1 3.608 0.005 . 2 . . . A 16 PRO HD2 . 18190 1 163 . 1 1 16 16 PRO HD3 H 1 3.396 0.005 . 2 . . . A 16 PRO HD3 . 18190 1 164 . 1 1 16 16 PRO CA C 13 60.642 0.137 . 1 . . . A 16 PRO CA . 18190 1 165 . 1 1 16 16 PRO CB C 13 29.307 0.137 . 1 . . . A 16 PRO CB . 18190 1 166 . 1 1 16 16 PRO CG C 13 25.309 0.137 . 1 . . . A 16 PRO CG . 18190 1 167 . 1 1 16 16 PRO CD C 13 47.583 0.137 . 1 . . . A 16 PRO CD . 18190 1 168 . 1 1 17 17 ASN H H 1 7.124 0.005 . 1 . . . A 17 ASN H . 18190 1 169 . 1 1 17 17 ASN HA H 1 4.514 0.005 . 1 . . . A 17 ASN HA . 18190 1 170 . 1 1 17 17 ASN HB2 H 1 2.974 0.005 . 2 . . . A 17 ASN HB2 . 18190 1 171 . 1 1 17 17 ASN HB3 H 1 2.520 0.005 . 2 . . . A 17 ASN HB3 . 18190 1 172 . 1 1 17 17 ASN HD21 H 1 6.655 0.005 . 2 . . . A 17 ASN HD21 . 18190 1 173 . 1 1 17 17 ASN HD22 H 1 7.444 0.005 . 2 . . . A 17 ASN HD22 . 18190 1 174 . 1 1 17 17 ASN CA C 13 48.781 0.137 . 1 . . . A 17 ASN CA . 18190 1 175 . 1 1 17 17 ASN CB C 13 34.279 0.137 . 1 . . . A 17 ASN CB . 18190 1 176 . 1 1 17 17 ASN N N 15 111.653 0.091 . 1 . . . A 17 ASN N . 18190 1 177 . 1 1 17 17 ASN ND2 N 15 111.034 0.091 . 1 . . . A 17 ASN ND2 . 18190 1 178 . 1 1 18 18 ALA H H 1 7.639 0.005 . 1 . . . A 18 ALA H . 18190 1 179 . 1 1 18 18 ALA HA H 1 4.317 0.005 . 1 . . . A 18 ALA HA . 18190 1 180 . 1 1 18 18 ALA HB1 H 1 1.458 0.005 . 1 . . . A 18 ALA QB . 18190 1 181 . 1 1 18 18 ALA HB2 H 1 1.458 0.005 . 1 . . . A 18 ALA QB . 18190 1 182 . 1 1 18 18 ALA HB3 H 1 1.458 0.005 . 1 . . . A 18 ALA QB . 18190 1 183 . 1 1 18 18 ALA CA C 13 50.252 0.137 . 1 . . . A 18 ALA CA . 18190 1 184 . 1 1 18 18 ALA CB C 13 16.680 0.137 . 1 . . . A 18 ALA CB . 18190 1 185 . 1 1 18 18 ALA N N 15 122.824 0.091 . 1 . . . A 18 ALA N . 18190 1 186 . 1 1 19 19 THR H H 1 8.831 0.005 . 1 . . . A 19 THR H . 18190 1 187 . 1 1 19 19 THR HA H 1 4.481 0.005 . 1 . . . A 19 THR HA . 18190 1 188 . 1 1 19 19 THR HB H 1 4.782 0.005 . 1 . . . A 19 THR HB . 18190 1 189 . 1 1 19 19 THR HG21 H 1 1.344 0.005 . 1 . . . A 19 THR QG2 . 18190 1 190 . 1 1 19 19 THR HG22 H 1 1.344 0.005 . 1 . . . A 19 THR QG2 . 18190 1 191 . 1 1 19 19 THR HG23 H 1 1.344 0.005 . 1 . . . A 19 THR QG2 . 18190 1 192 . 1 1 19 19 THR CA C 13 57.927 0.137 . 1 . . . A 19 THR CA . 18190 1 193 . 1 1 19 19 THR CB C 13 68.526 0.137 . 1 . . . A 19 THR CB . 18190 1 194 . 1 1 19 19 THR CG2 C 13 19.413 0.137 . 1 . . . A 19 THR CG2 . 18190 1 195 . 1 1 19 19 THR N N 15 113.477 0.091 . 1 . . . A 19 THR N . 18190 1 196 . 1 1 20 20 GLN H H 1 9.015 0.005 . 1 . . . A 20 GLN H . 18190 1 197 . 1 1 20 20 GLN HA H 1 4.012 0.005 . 1 . . . A 20 GLN HA . 18190 1 198 . 1 1 20 20 GLN HB2 H 1 2.102 0.005 . 2 . . . A 20 GLN HB2 . 18190 1 199 . 1 1 20 20 GLN HB3 H 1 2.074 0.005 . 2 . . . A 20 GLN HB3 . 18190 1 200 . 1 1 20 20 GLN HG2 H 1 2.482 0.005 . 2 . . . A 20 GLN HG2 . 18190 1 201 . 1 1 20 20 GLN HG3 H 1 2.414 0.005 . 2 . . . A 20 GLN HG3 . 18190 1 202 . 1 1 20 20 GLN HE21 H 1 7.221 0.005 . 2 . . . A 20 GLN HE21 . 18190 1 203 . 1 1 20 20 GLN HE22 H 1 7.441 0.005 . 2 . . . A 20 GLN HE22 . 18190 1 204 . 1 1 20 20 GLN CA C 13 56.748 0.137 . 1 . . . A 20 GLN CA . 18190 1 205 . 1 1 20 20 GLN CB C 13 25.303 0.137 . 1 . . . A 20 GLN CB . 18190 1 206 . 1 1 20 20 GLN CG C 13 30.872 0.137 . 1 . . . A 20 GLN CG . 18190 1 207 . 1 1 20 20 GLN N N 15 119.439 0.091 . 1 . . . A 20 GLN N . 18190 1 208 . 1 1 20 20 GLN NE2 N 15 110.209 0.091 . 1 . . . A 20 GLN NE2 . 18190 1 209 . 1 1 21 21 GLU H H 1 8.545 0.005 . 1 . . . A 21 GLU H . 18190 1 210 . 1 1 21 21 GLU HA H 1 4.045 0.005 . 1 . . . A 21 GLU HA . 18190 1 211 . 1 1 21 21 GLU HB2 H 1 1.915 0.005 . 2 . . . A 21 GLU HB2 . 18190 1 212 . 1 1 21 21 GLU HB3 H 1 2.044 0.005 . 2 . . . A 21 GLU HB3 . 18190 1 213 . 1 1 21 21 GLU HG2 H 1 2.283 0.005 . 2 . . . A 21 GLU HG2 . 18190 1 214 . 1 1 21 21 GLU HG3 H 1 2.138 0.005 . 2 . . . A 21 GLU HG3 . 18190 1 215 . 1 1 21 21 GLU CA C 13 57.062 0.137 . 1 . . . A 21 GLU CA . 18190 1 216 . 1 1 21 21 GLU CB C 13 26.681 0.137 . 1 . . . A 21 GLU CB . 18190 1 217 . 1 1 21 21 GLU CG C 13 33.761 0.137 . 1 . . . A 21 GLU CG . 18190 1 218 . 1 1 21 21 GLU N N 15 119.296 0.091 . 1 . . . A 21 GLU N . 18190 1 219 . 1 1 22 22 GLU H H 1 7.769 0.005 . 1 . . . A 22 GLU H . 18190 1 220 . 1 1 22 22 GLU HA H 1 3.893 0.005 . 1 . . . A 22 GLU HA . 18190 1 221 . 1 1 22 22 GLU HB2 H 1 2.385 0.005 . 2 . . . A 22 GLU HB2 . 18190 1 222 . 1 1 22 22 GLU HB3 H 1 1.938 0.005 . 2 . . . A 22 GLU HB3 . 18190 1 223 . 1 1 22 22 GLU HG2 H 1 2.377 0.005 . 2 . . . A 22 GLU HG2 . 18190 1 224 . 1 1 22 22 GLU HG3 H 1 2.234 0.005 . 2 . . . A 22 GLU HG3 . 18190 1 225 . 1 1 22 22 GLU CA C 13 56.872 0.137 . 1 . . . A 22 GLU CA . 18190 1 226 . 1 1 22 22 GLU CB C 13 27.504 0.137 . 1 . . . A 22 GLU CB . 18190 1 227 . 1 1 22 22 GLU CG C 13 35.056 0.137 . 1 . . . A 22 GLU CG . 18190 1 228 . 1 1 22 22 GLU N N 15 120.581 0.091 . 1 . . . A 22 GLU N . 18190 1 229 . 1 1 23 23 LEU H H 1 8.461 0.005 . 1 . . . A 23 LEU H . 18190 1 230 . 1 1 23 23 LEU HA H 1 3.943 0.005 . 1 . . . A 23 LEU HA . 18190 1 231 . 1 1 23 23 LEU HB2 H 1 1.244 0.005 . 2 . . . A 23 LEU HB2 . 18190 1 232 . 1 1 23 23 LEU HB3 H 1 2.175 0.005 . 2 . . . A 23 LEU HB3 . 18190 1 233 . 1 1 23 23 LEU HG H 1 1.762 0.005 . 1 . . . A 23 LEU HG . 18190 1 234 . 1 1 23 23 LEU HD11 H 1 0.615 0.005 . 2 . . . A 23 LEU QD1 . 18190 1 235 . 1 1 23 23 LEU HD12 H 1 0.615 0.005 . 2 . . . A 23 LEU QD1 . 18190 1 236 . 1 1 23 23 LEU HD13 H 1 0.615 0.005 . 2 . . . A 23 LEU QD1 . 18190 1 237 . 1 1 23 23 LEU HD21 H 1 0.762 0.005 . 2 . . . A 23 LEU QD2 . 18190 1 238 . 1 1 23 23 LEU HD22 H 1 0.762 0.005 . 2 . . . A 23 LEU QD2 . 18190 1 239 . 1 1 23 23 LEU HD23 H 1 0.762 0.005 . 2 . . . A 23 LEU QD2 . 18190 1 240 . 1 1 23 23 LEU CA C 13 55.901 0.137 . 1 . . . A 23 LEU CA . 18190 1 241 . 1 1 23 23 LEU CB C 13 39.989 0.137 . 1 . . . A 23 LEU CB . 18190 1 242 . 1 1 23 23 LEU CG C 13 24.195 0.137 . 1 . . . A 23 LEU CG . 18190 1 243 . 1 1 23 23 LEU CD1 C 13 24.281 0.137 . 2 . . . A 23 LEU CD1 . 18190 1 244 . 1 1 23 23 LEU CD2 C 13 23.724 0.137 . 2 . . . A 23 LEU CD2 . 18190 1 245 . 1 1 23 23 LEU N N 15 120.537 0.091 . 1 . . . A 23 LEU N . 18190 1 246 . 1 1 24 24 LYS H H 1 8.065 0.005 . 1 . . . A 24 LYS H . 18190 1 247 . 1 1 24 24 LYS HA H 1 3.985 0.005 . 1 . . . A 24 LYS HA . 18190 1 248 . 1 1 24 24 LYS HB2 H 1 1.974 0.005 . 2 . . . A 24 LYS QB . 18190 1 249 . 1 1 24 24 LYS HB3 H 1 1.974 0.005 . 2 . . . A 24 LYS QB . 18190 1 250 . 1 1 24 24 LYS HG2 H 1 1.550 0.005 . 2 . . . A 24 LYS QG . 18190 1 251 . 1 1 24 24 LYS HG3 H 1 1.550 0.005 . 2 . . . A 24 LYS QG . 18190 1 252 . 1 1 24 24 LYS CA C 13 57.568 0.137 . 1 . . . A 24 LYS CA . 18190 1 253 . 1 1 24 24 LYS CB C 13 30.049 0.137 . 1 . . . A 24 LYS CB . 18190 1 254 . 1 1 24 24 LYS CG C 13 22.572 0.137 . 1 . . . A 24 LYS CG . 18190 1 255 . 1 1 24 24 LYS N N 15 119.064 0.091 . 1 . . . A 24 LYS N . 18190 1 256 . 1 1 25 25 LYS H H 1 7.987 0.005 . 1 . . . A 25 LYS H . 18190 1 257 . 1 1 25 25 LYS HA H 1 3.876 0.005 . 1 . . . A 25 LYS HA . 18190 1 258 . 1 1 25 25 LYS HB2 H 1 1.820 0.005 . 2 . . . A 25 LYS QB . 18190 1 259 . 1 1 25 25 LYS HB3 H 1 1.820 0.005 . 2 . . . A 25 LYS QB . 18190 1 260 . 1 1 25 25 LYS HG2 H 1 1.361 0.005 . 2 . . . A 25 LYS HG2 . 18190 1 261 . 1 1 25 25 LYS HG3 H 1 1.615 0.005 . 2 . . . A 25 LYS HG3 . 18190 1 262 . 1 1 25 25 LYS HD2 H 1 1.610 0.005 . 2 . . . A 25 LYS QD . 18190 1 263 . 1 1 25 25 LYS HD3 H 1 1.610 0.005 . 2 . . . A 25 LYS QD . 18190 1 264 . 1 1 25 25 LYS HE2 H 1 2.853 0.005 . 2 . . . A 25 LYS QE . 18190 1 265 . 1 1 25 25 LYS HE3 H 1 2.853 0.005 . 2 . . . A 25 LYS QE . 18190 1 266 . 1 1 25 25 LYS CA C 13 57.193 0.137 . 1 . . . A 25 LYS CA . 18190 1 267 . 1 1 25 25 LYS CB C 13 30.344 0.137 . 1 . . . A 25 LYS CB . 18190 1 268 . 1 1 25 25 LYS CG C 13 23.189 0.137 . 1 . . . A 25 LYS CG . 18190 1 269 . 1 1 25 25 LYS CD C 13 27.024 0.137 . 1 . . . A 25 LYS CD . 18190 1 270 . 1 1 25 25 LYS CE C 13 39.640 0.137 . 1 . . . A 25 LYS CE . 18190 1 271 . 1 1 25 25 LYS N N 15 118.468 0.091 . 1 . . . A 25 LYS N . 18190 1 272 . 1 1 26 26 ALA H H 1 7.912 0.005 . 1 . . . A 26 ALA H . 18190 1 273 . 1 1 26 26 ALA HA H 1 4.099 0.005 . 1 . . . A 26 ALA HA . 18190 1 274 . 1 1 26 26 ALA HB1 H 1 1.583 0.005 . 1 . . . A 26 ALA QB . 18190 1 275 . 1 1 26 26 ALA HB2 H 1 1.583 0.005 . 1 . . . A 26 ALA QB . 18190 1 276 . 1 1 26 26 ALA HB3 H 1 1.583 0.005 . 1 . . . A 26 ALA QB . 18190 1 277 . 1 1 26 26 ALA CA C 13 52.471 0.137 . 1 . . . A 26 ALA CA . 18190 1 278 . 1 1 26 26 ALA CB C 13 16.262 0.137 . 1 . . . A 26 ALA CB . 18190 1 279 . 1 1 26 26 ALA N N 15 122.161 0.091 . 1 . . . A 26 ALA N . 18190 1 280 . 1 1 27 27 TYR H H 1 8.380 0.005 . 1 . . . A 27 TYR H . 18190 1 281 . 1 1 27 27 TYR HA H 1 3.802 0.005 . 1 . . . A 27 TYR HA . 18190 1 282 . 1 1 27 27 TYR HB2 H 1 2.489 0.005 . 2 . . . A 27 TYR HB2 . 18190 1 283 . 1 1 27 27 TYR HB3 H 1 2.363 0.005 . 2 . . . A 27 TYR HB3 . 18190 1 284 . 1 1 27 27 TYR HD1 H 1 6.320 0.005 . 3 . . . A 27 TYR QD . 18190 1 285 . 1 1 27 27 TYR HD2 H 1 6.320 0.005 . 3 . . . A 27 TYR QD . 18190 1 286 . 1 1 27 27 TYR HE1 H 1 6.317 0.005 . 3 . . . A 27 TYR QE . 18190 1 287 . 1 1 27 27 TYR HE2 H 1 6.317 0.005 . 3 . . . A 27 TYR QE . 18190 1 288 . 1 1 27 27 TYR CA C 13 58.801 0.137 . 1 . . . A 27 TYR CA . 18190 1 289 . 1 1 27 27 TYR CB C 13 36.304 0.137 . 1 . . . A 27 TYR CB . 18190 1 290 . 1 1 27 27 TYR CD1 C 13 129.516 0.137 . 3 . . . A 27 TYR CD1 . 18190 1 291 . 1 1 27 27 TYR CD2 C 13 129.520 0.137 . 3 . . . A 27 TYR CD2 . 18190 1 292 . 1 1 27 27 TYR CE1 C 13 114.521 0.137 . 3 . . . A 27 TYR CE1 . 18190 1 293 . 1 1 27 27 TYR CE2 C 13 114.520 0.137 . 3 . . . A 27 TYR CE2 . 18190 1 294 . 1 1 27 27 TYR N N 15 117.724 0.091 . 1 . . . A 27 TYR N . 18190 1 295 . 1 1 28 28 ARG H H 1 8.241 0.005 . 1 . . . A 28 ARG H . 18190 1 296 . 1 1 28 28 ARG HA H 1 3.474 0.005 . 1 . . . A 28 ARG HA . 18190 1 297 . 1 1 28 28 ARG HB2 H 1 1.745 0.005 . 2 . . . A 28 ARG HB2 . 18190 1 298 . 1 1 28 28 ARG HB3 H 1 1.809 0.005 . 2 . . . A 28 ARG HB3 . 18190 1 299 . 1 1 28 28 ARG HG2 H 1 1.744 0.005 . 2 . . . A 28 ARG HG2 . 18190 1 300 . 1 1 28 28 ARG HG3 H 1 1.549 0.005 . 2 . . . A 28 ARG HG3 . 18190 1 301 . 1 1 28 28 ARG HD2 H 1 3.071 0.005 . 2 . . . A 28 ARG QD . 18190 1 302 . 1 1 28 28 ARG HD3 H 1 3.071 0.005 . 2 . . . A 28 ARG QD . 18190 1 303 . 1 1 28 28 ARG CA C 13 56.617 0.137 . 1 . . . A 28 ARG CA . 18190 1 304 . 1 1 28 28 ARG CB C 13 27.058 0.137 . 1 . . . A 28 ARG CB . 18190 1 305 . 1 1 28 28 ARG CG C 13 25.128 0.137 . 1 . . . A 28 ARG CG . 18190 1 306 . 1 1 28 28 ARG CD C 13 40.915 0.137 . 1 . . . A 28 ARG CD . 18190 1 307 . 1 1 28 28 ARG N N 15 117.279 0.091 . 1 . . . A 28 ARG N . 18190 1 308 . 1 1 29 29 LYS H H 1 7.435 0.005 . 1 . . . A 29 LYS H . 18190 1 309 . 1 1 29 29 LYS HA H 1 3.899 0.005 . 1 . . . A 29 LYS HA . 18190 1 310 . 1 1 29 29 LYS HB2 H 1 1.829 0.005 . 2 . . . A 29 LYS QB . 18190 1 311 . 1 1 29 29 LYS HB3 H 1 1.829 0.005 . 2 . . . A 29 LYS QB . 18190 1 312 . 1 1 29 29 LYS HG2 H 1 1.482 0.005 . 2 . . . A 29 LYS QG . 18190 1 313 . 1 1 29 29 LYS HG3 H 1 1.482 0.005 . 2 . . . A 29 LYS QG . 18190 1 314 . 1 1 29 29 LYS HD2 H 1 1.696 0.005 . 2 . . . A 29 LYS HD2 . 18190 1 315 . 1 1 29 29 LYS HD3 H 1 1.806 0.005 . 2 . . . A 29 LYS HD3 . 18190 1 316 . 1 1 29 29 LYS HE2 H 1 2.893 0.005 . 2 . . . A 29 LYS QE . 18190 1 317 . 1 1 29 29 LYS HE3 H 1 2.893 0.005 . 2 . . . A 29 LYS QE . 18190 1 318 . 1 1 29 29 LYS CA C 13 56.736 0.137 . 1 . . . A 29 LYS CA . 18190 1 319 . 1 1 29 29 LYS CB C 13 29.937 0.137 . 1 . . . A 29 LYS CB . 18190 1 320 . 1 1 29 29 LYS CG C 13 22.778 0.137 . 1 . . . A 29 LYS CG . 18190 1 321 . 1 1 29 29 LYS CD C 13 27.212 0.137 . 1 . . . A 29 LYS CD . 18190 1 322 . 1 1 29 29 LYS CE C 13 39.574 0.137 . 1 . . . A 29 LYS CE . 18190 1 323 . 1 1 29 29 LYS N N 15 117.208 0.091 . 1 . . . A 29 LYS N . 18190 1 324 . 1 1 30 30 LEU H H 1 7.693 0.005 . 1 . . . A 30 LEU H . 18190 1 325 . 1 1 30 30 LEU HA H 1 4.000 0.005 . 1 . . . A 30 LEU HA . 18190 1 326 . 1 1 30 30 LEU HB2 H 1 1.846 0.005 . 2 . . . A 30 LEU HB2 . 18190 1 327 . 1 1 30 30 LEU HB3 H 1 1.464 0.005 . 2 . . . A 30 LEU HB3 . 18190 1 328 . 1 1 30 30 LEU HG H 1 1.860 0.005 . 1 . . . A 30 LEU HG . 18190 1 329 . 1 1 30 30 LEU HD11 H 1 0.985 0.005 . 2 . . . A 30 LEU QD1 . 18190 1 330 . 1 1 30 30 LEU HD12 H 1 0.985 0.005 . 2 . . . A 30 LEU QD1 . 18190 1 331 . 1 1 30 30 LEU HD13 H 1 0.985 0.005 . 2 . . . A 30 LEU QD1 . 18190 1 332 . 1 1 30 30 LEU HD21 H 1 0.921 0.005 . 2 . . . A 30 LEU QD2 . 18190 1 333 . 1 1 30 30 LEU HD22 H 1 0.921 0.005 . 2 . . . A 30 LEU QD2 . 18190 1 334 . 1 1 30 30 LEU HD23 H 1 0.921 0.005 . 2 . . . A 30 LEU QD2 . 18190 1 335 . 1 1 30 30 LEU CA C 13 54.748 0.137 . 1 . . . A 30 LEU CA . 18190 1 336 . 1 1 30 30 LEU CB C 13 39.846 0.137 . 1 . . . A 30 LEU CB . 18190 1 337 . 1 1 30 30 LEU CG C 13 30.186 0.137 . 1 . . . A 30 LEU CG . 18190 1 338 . 1 1 30 30 LEU CD1 C 13 24.776 0.137 . 2 . . . A 30 LEU CD1 . 18190 1 339 . 1 1 30 30 LEU CD2 C 13 20.467 0.137 . 2 . . . A 30 LEU CD2 . 18190 1 340 . 1 1 30 30 LEU N N 15 119.982 0.091 . 1 . . . A 30 LEU N . 18190 1 341 . 1 1 31 31 ALA H H 1 8.858 0.005 . 1 . . . A 31 ALA H . 18190 1 342 . 1 1 31 31 ALA HA H 1 3.821 0.005 . 1 . . . A 31 ALA HA . 18190 1 343 . 1 1 31 31 ALA HB1 H 1 0.948 0.005 . 1 . . . A 31 ALA QB . 18190 1 344 . 1 1 31 31 ALA HB2 H 1 0.948 0.005 . 1 . . . A 31 ALA QB . 18190 1 345 . 1 1 31 31 ALA HB3 H 1 0.948 0.005 . 1 . . . A 31 ALA QB . 18190 1 346 . 1 1 31 31 ALA CA C 13 52.359 0.137 . 1 . . . A 31 ALA CA . 18190 1 347 . 1 1 31 31 ALA CB C 13 14.583 0.137 . 1 . . . A 31 ALA CB . 18190 1 348 . 1 1 31 31 ALA N N 15 122.483 0.091 . 1 . . . A 31 ALA N . 18190 1 349 . 1 1 32 32 LEU H H 1 7.094 0.005 . 1 . . . A 32 LEU H . 18190 1 350 . 1 1 32 32 LEU HA H 1 3.980 0.005 . 1 . . . A 32 LEU HA . 18190 1 351 . 1 1 32 32 LEU HB2 H 1 1.659 0.005 . 2 . . . A 32 LEU HB2 . 18190 1 352 . 1 1 32 32 LEU HB3 H 1 1.437 0.005 . 2 . . . A 32 LEU HB3 . 18190 1 353 . 1 1 32 32 LEU HG H 1 1.661 0.005 . 1 . . . A 32 LEU HG . 18190 1 354 . 1 1 32 32 LEU HD11 H 1 0.783 0.005 . 2 . . . A 32 LEU QD1 . 18190 1 355 . 1 1 32 32 LEU HD12 H 1 0.783 0.005 . 2 . . . A 32 LEU QD1 . 18190 1 356 . 1 1 32 32 LEU HD13 H 1 0.783 0.005 . 2 . . . A 32 LEU QD1 . 18190 1 357 . 1 1 32 32 LEU HD21 H 1 0.749 0.005 . 2 . . . A 32 LEU QD2 . 18190 1 358 . 1 1 32 32 LEU HD22 H 1 0.749 0.005 . 2 . . . A 32 LEU QD2 . 18190 1 359 . 1 1 32 32 LEU HD23 H 1 0.749 0.005 . 2 . . . A 32 LEU QD2 . 18190 1 360 . 1 1 32 32 LEU CA C 13 54.233 0.137 . 1 . . . A 32 LEU CA . 18190 1 361 . 1 1 32 32 LEU CB C 13 39.599 0.137 . 1 . . . A 32 LEU CB . 18190 1 362 . 1 1 32 32 LEU CG C 13 24.339 0.137 . 1 . . . A 32 LEU CG . 18190 1 363 . 1 1 32 32 LEU CD1 C 13 24.214 0.137 . 2 . . . A 32 LEU CD1 . 18190 1 364 . 1 1 32 32 LEU CD2 C 13 20.860 0.137 . 2 . . . A 32 LEU CD2 . 18190 1 365 . 1 1 32 32 LEU N N 15 115.222 0.091 . 1 . . . A 32 LEU N . 18190 1 366 . 1 1 33 33 LYS H H 1 7.060 0.005 . 1 . . . A 33 LYS H . 18190 1 367 . 1 1 33 33 LYS HA H 1 3.900 0.005 . 1 . . . A 33 LYS HA . 18190 1 368 . 1 1 33 33 LYS HB2 H 1 1.399 0.005 . 2 . . . A 33 LYS HB2 . 18190 1 369 . 1 1 33 33 LYS HB3 H 1 1.284 0.005 . 2 . . . A 33 LYS HB3 . 18190 1 370 . 1 1 33 33 LYS HG2 H 1 0.664 0.005 . 2 . . . A 33 LYS HG2 . 18190 1 371 . 1 1 33 33 LYS HG3 H 1 1.058 0.005 . 2 . . . A 33 LYS HG3 . 18190 1 372 . 1 1 33 33 LYS HE3 H 1 2.743 0.005 . 2 . . . A 33 LYS HE3 . 18190 1 373 . 1 1 33 33 LYS CA C 13 55.142 0.137 . 1 . . . A 33 LYS CA . 18190 1 374 . 1 1 33 33 LYS CB C 13 30.916 0.137 . 1 . . . A 33 LYS CB . 18190 1 375 . 1 1 33 33 LYS CG C 13 22.152 0.137 . 1 . . . A 33 LYS CG . 18190 1 376 . 1 1 33 33 LYS CE C 13 39.474 0.137 . 1 . . . A 33 LYS CE . 18190 1 377 . 1 1 33 33 LYS N N 15 116.981 0.091 . 1 . . . A 33 LYS N . 18190 1 378 . 1 1 34 34 TYR H H 1 7.597 0.005 . 1 . . . A 34 TYR H . 18190 1 379 . 1 1 34 34 TYR HA H 1 4.612 0.005 . 1 . . . A 34 TYR HA . 18190 1 380 . 1 1 34 34 TYR HB2 H 1 3.239 0.005 . 2 . . . A 34 TYR HB2 . 18190 1 381 . 1 1 34 34 TYR HB3 H 1 2.485 0.005 . 2 . . . A 34 TYR HB3 . 18190 1 382 . 1 1 34 34 TYR HD1 H 1 6.995 0.005 . 3 . . . A 34 TYR QD . 18190 1 383 . 1 1 34 34 TYR HD2 H 1 6.995 0.005 . 3 . . . A 34 TYR QD . 18190 1 384 . 1 1 34 34 TYR HE1 H 1 6.713 0.005 . 3 . . . A 34 TYR QE . 18190 1 385 . 1 1 34 34 TYR HE2 H 1 6.713 0.005 . 3 . . . A 34 TYR QE . 18190 1 386 . 1 1 34 34 TYR CA C 13 54.242 0.137 . 1 . . . A 34 TYR CA . 18190 1 387 . 1 1 34 34 TYR CB C 13 37.084 0.137 . 1 . . . A 34 TYR CB . 18190 1 388 . 1 1 34 34 TYR CD1 C 13 130.060 0.137 . 3 . . . A 34 TYR CD1 . 18190 1 389 . 1 1 34 34 TYR CD2 C 13 130.063 0.137 . 3 . . . A 34 TYR CD2 . 18190 1 390 . 1 1 34 34 TYR CE1 C 13 115.090 0.137 . 3 . . . A 34 TYR CE1 . 18190 1 391 . 1 1 34 34 TYR CE2 C 13 115.093 0.137 . 3 . . . A 34 TYR CE2 . 18190 1 392 . 1 1 34 34 TYR N N 15 114.312 0.091 . 1 . . . A 34 TYR N . 18190 1 393 . 1 1 35 35 HIS H H 1 7.975 0.005 . 1 . . . A 35 HIS H . 18190 1 394 . 1 1 35 35 HIS HA H 1 3.885 0.005 . 1 . . . A 35 HIS HA . 18190 1 395 . 1 1 35 35 HIS HB2 H 1 3.123 0.005 . 2 . . . A 35 HIS HB2 . 18190 1 396 . 1 1 35 35 HIS HB3 H 1 2.712 0.005 . 2 . . . A 35 HIS HB3 . 18190 1 397 . 1 1 35 35 HIS HD2 H 1 6.930 0.005 . 1 . . . A 35 HIS HD2 . 18190 1 398 . 1 1 35 35 HIS HE1 H 1 7.789 0.005 . 1 . . . A 35 HIS HE1 . 18190 1 399 . 1 1 35 35 HIS CA C 13 52.948 0.137 . 1 . . . A 35 HIS CA . 18190 1 400 . 1 1 35 35 HIS CB C 13 27.909 0.137 . 1 . . . A 35 HIS CB . 18190 1 401 . 1 1 35 35 HIS CD2 C 13 116.035 0.137 . 1 . . . A 35 HIS CD2 . 18190 1 402 . 1 1 35 35 HIS CE1 C 13 135.134 0.137 . 1 . . . A 35 HIS CE1 . 18190 1 403 . 1 1 35 35 HIS N N 15 120.482 0.091 . 1 . . . A 35 HIS N . 18190 1 404 . 1 1 36 36 PRO HA H 1 4.117 0.005 . 1 . . . A 36 PRO HA . 18190 1 405 . 1 1 36 36 PRO HB2 H 1 2.019 0.005 . 2 . . . A 36 PRO HB2 . 18190 1 406 . 1 1 36 36 PRO HB3 H 1 1.744 0.005 . 2 . . . A 36 PRO HB3 . 18190 1 407 . 1 1 36 36 PRO HG2 H 1 1.452 0.005 . 2 . . . A 36 PRO HG2 . 18190 1 408 . 1 1 36 36 PRO HG3 H 1 1.539 0.005 . 2 . . . A 36 PRO HG3 . 18190 1 409 . 1 1 36 36 PRO HD2 H 1 2.559 0.005 . 2 . . . A 36 PRO HD2 . 18190 1 410 . 1 1 36 36 PRO HD3 H 1 2.167 0.005 . 2 . . . A 36 PRO HD3 . 18190 1 411 . 1 1 36 36 PRO CA C 13 61.891 0.137 . 1 . . . A 36 PRO CA . 18190 1 412 . 1 1 36 36 PRO CB C 13 29.520 0.137 . 1 . . . A 36 PRO CB . 18190 1 413 . 1 1 36 36 PRO CG C 13 24.532 0.137 . 1 . . . A 36 PRO CG . 18190 1 414 . 1 1 36 36 PRO CD C 13 47.484 0.137 . 1 . . . A 36 PRO CD . 18190 1 415 . 1 1 37 37 ASP H H 1 9.770 0.005 . 1 . . . A 37 ASP H . 18190 1 416 . 1 1 37 37 ASP HA H 1 4.348 0.005 . 1 . . . A 37 ASP HA . 18190 1 417 . 1 1 37 37 ASP HB2 H 1 2.566 0.005 . 2 . . . A 37 ASP QB . 18190 1 418 . 1 1 37 37 ASP HB3 H 1 2.566 0.005 . 2 . . . A 37 ASP QB . 18190 1 419 . 1 1 37 37 ASP CA C 13 53.106 0.137 . 1 . . . A 37 ASP CA . 18190 1 420 . 1 1 37 37 ASP CB C 13 37.719 0.137 . 1 . . . A 37 ASP CB . 18190 1 421 . 1 1 37 37 ASP N N 15 118.527 0.091 . 1 . . . A 37 ASP N . 18190 1 422 . 1 1 38 38 LYS H H 1 7.791 0.005 . 1 . . . A 38 LYS H . 18190 1 423 . 1 1 38 38 LYS HA H 1 4.283 0.005 . 1 . . . A 38 LYS HA . 18190 1 424 . 1 1 38 38 LYS HB2 H 1 1.772 0.005 . 2 . . . A 38 LYS HB2 . 18190 1 425 . 1 1 38 38 LYS HB3 H 1 1.667 0.005 . 2 . . . A 38 LYS HB3 . 18190 1 426 . 1 1 38 38 LYS HG2 H 1 1.330 0.005 . 2 . . . A 38 LYS HG2 . 18190 1 427 . 1 1 38 38 LYS HG3 H 1 1.248 0.005 . 2 . . . A 38 LYS HG3 . 18190 1 428 . 1 1 38 38 LYS HD2 H 1 1.513 0.005 . 2 . . . A 38 LYS QD . 18190 1 429 . 1 1 38 38 LYS HD3 H 1 1.513 0.005 . 2 . . . A 38 LYS QD . 18190 1 430 . 1 1 38 38 LYS CA C 13 53.226 0.137 . 1 . . . A 38 LYS CA . 18190 1 431 . 1 1 38 38 LYS CB C 13 31.080 0.137 . 1 . . . A 38 LYS CB . 18190 1 432 . 1 1 38 38 LYS CG C 13 22.006 0.137 . 1 . . . A 38 LYS CG . 18190 1 433 . 1 1 38 38 LYS CD C 13 25.908 0.137 . 1 . . . A 38 LYS CD . 18190 1 434 . 1 1 38 38 LYS N N 15 117.586 0.091 . 1 . . . A 38 LYS N . 18190 1 435 . 1 1 39 39 ASN H H 1 7.916 0.005 . 1 . . . A 39 ASN H . 18190 1 436 . 1 1 39 39 ASN HA H 1 5.010 0.005 . 1 . . . A 39 ASN HA . 18190 1 437 . 1 1 39 39 ASN HB2 H 1 2.602 0.005 . 2 . . . A 39 ASN HB2 . 18190 1 438 . 1 1 39 39 ASN HB3 H 1 2.777 0.005 . 2 . . . A 39 ASN HB3 . 18190 1 439 . 1 1 39 39 ASN HD21 H 1 7.194 0.005 . 2 . . . A 39 ASN HD21 . 18190 1 440 . 1 1 39 39 ASN HD22 H 1 7.536 0.005 . 2 . . . A 39 ASN HD22 . 18190 1 441 . 1 1 39 39 ASN CA C 13 47.845 0.137 . 1 . . . A 39 ASN CA . 18190 1 442 . 1 1 39 39 ASN CB C 13 36.745 0.137 . 1 . . . A 39 ASN CB . 18190 1 443 . 1 1 39 39 ASN N N 15 116.510 0.091 . 1 . . . A 39 ASN N . 18190 1 444 . 1 1 39 39 ASN ND2 N 15 112.935 0.091 . 1 . . . A 39 ASN ND2 . 18190 1 445 . 1 1 40 40 PRO HA H 1 4.426 0.005 . 1 . . . A 40 PRO HA . 18190 1 446 . 1 1 40 40 PRO HB2 H 1 2.320 0.005 . 2 . . . A 40 PRO HB2 . 18190 1 447 . 1 1 40 40 PRO HB3 H 1 1.933 0.005 . 2 . . . A 40 PRO HB3 . 18190 1 448 . 1 1 40 40 PRO HG2 H 1 1.976 0.005 . 2 . . . A 40 PRO HG2 . 18190 1 449 . 1 1 40 40 PRO HG3 H 1 1.905 0.005 . 2 . . . A 40 PRO HG3 . 18190 1 450 . 1 1 40 40 PRO HD2 H 1 3.735 0.005 . 2 . . . A 40 PRO HD2 . 18190 1 451 . 1 1 40 40 PRO HD3 H 1 3.509 0.005 . 2 . . . A 40 PRO HD3 . 18190 1 452 . 1 1 40 40 PRO CA C 13 61.798 0.137 . 1 . . . A 40 PRO CA . 18190 1 453 . 1 1 40 40 PRO CB C 13 29.565 0.137 . 1 . . . A 40 PRO CB . 18190 1 454 . 1 1 40 40 PRO CG C 13 24.463 0.137 . 1 . . . A 40 PRO CG . 18190 1 455 . 1 1 40 40 PRO CD C 13 48.006 0.137 . 1 . . . A 40 PRO CD . 18190 1 456 . 1 1 41 41 ASN H H 1 8.391 0.005 . 1 . . . A 41 ASN H . 18190 1 457 . 1 1 41 41 ASN HA H 1 4.729 0.005 . 1 . . . A 41 ASN HA . 18190 1 458 . 1 1 41 41 ASN HB2 H 1 2.796 0.005 . 2 . . . A 41 ASN HB2 . 18190 1 459 . 1 1 41 41 ASN HB3 H 1 2.880 0.005 . 2 . . . A 41 ASN HB3 . 18190 1 460 . 1 1 41 41 ASN HD21 H 1 7.633 0.005 . 2 . . . A 41 ASN HD21 . 18190 1 461 . 1 1 41 41 ASN HD22 H 1 6.980 0.005 . 2 . . . A 41 ASN HD22 . 18190 1 462 . 1 1 41 41 ASN CA C 13 52.062 0.137 . 1 . . . A 41 ASN CA . 18190 1 463 . 1 1 41 41 ASN CB C 13 36.392 0.137 . 1 . . . A 41 ASN CB . 18190 1 464 . 1 1 41 41 ASN N N 15 115.783 0.091 . 1 . . . A 41 ASN N . 18190 1 465 . 1 1 41 41 ASN ND2 N 15 113.618 0.091 . 1 . . . A 41 ASN ND2 . 18190 1 466 . 1 1 42 42 GLU H H 1 7.580 0.005 . 1 . . . A 42 GLU H . 18190 1 467 . 1 1 42 42 GLU HA H 1 4.698 0.005 . 1 . . . A 42 GLU HA . 18190 1 468 . 1 1 42 42 GLU HB2 H 1 2.381 0.005 . 2 . . . A 42 GLU HB2 . 18190 1 469 . 1 1 42 42 GLU HB3 H 1 1.820 0.005 . 2 . . . A 42 GLU HB3 . 18190 1 470 . 1 1 42 42 GLU HG2 H 1 2.138 0.005 . 2 . . . A 42 GLU HG2 . 18190 1 471 . 1 1 42 42 GLU HG3 H 1 2.366 0.005 . 2 . . . A 42 GLU HG3 . 18190 1 472 . 1 1 42 42 GLU CA C 13 53.495 0.137 . 1 . . . A 42 GLU CA . 18190 1 473 . 1 1 42 42 GLU CB C 13 26.836 0.137 . 1 . . . A 42 GLU CB . 18190 1 474 . 1 1 42 42 GLU CG C 13 33.111 0.137 . 1 . . . A 42 GLU CG . 18190 1 475 . 1 1 42 42 GLU N N 15 119.335 0.091 . 1 . . . A 42 GLU N . 18190 1 476 . 1 1 43 43 GLY H H 1 8.109 0.005 . 1 . . . A 43 GLY H . 18190 1 477 . 1 1 43 43 GLY HA2 H 1 3.804 0.005 . 2 . . . A 43 GLY HA2 . 18190 1 478 . 1 1 43 43 GLY HA3 H 1 3.972 0.005 . 2 . . . A 43 GLY HA3 . 18190 1 479 . 1 1 43 43 GLY CA C 13 45.288 0.137 . 1 . . . A 43 GLY CA . 18190 1 480 . 1 1 43 43 GLY N N 15 107.551 0.091 . 1 . . . A 43 GLY N . 18190 1 481 . 1 1 44 44 GLU H H 1 8.443 0.005 . 1 . . . A 44 GLU H . 18190 1 482 . 1 1 44 44 GLU HA H 1 4.051 0.005 . 1 . . . A 44 GLU HA . 18190 1 483 . 1 1 44 44 GLU HB2 H 1 1.967 0.005 . 2 . . . A 44 GLU QB . 18190 1 484 . 1 1 44 44 GLU HB3 H 1 1.967 0.005 . 2 . . . A 44 GLU QB . 18190 1 485 . 1 1 44 44 GLU HG2 H 1 2.210 0.005 . 2 . . . A 44 GLU QG . 18190 1 486 . 1 1 44 44 GLU HG3 H 1 2.210 0.005 . 2 . . . A 44 GLU QG . 18190 1 487 . 1 1 44 44 GLU CA C 13 56.566 0.137 . 1 . . . A 44 GLU CA . 18190 1 488 . 1 1 44 44 GLU CB C 13 26.360 0.137 . 1 . . . A 44 GLU CB . 18190 1 489 . 1 1 44 44 GLU CG C 13 33.612 0.137 . 1 . . . A 44 GLU CG . 18190 1 490 . 1 1 44 44 GLU N N 15 121.709 0.091 . 1 . . . A 44 GLU N . 18190 1 491 . 1 1 45 45 LYS H H 1 7.839 0.005 . 1 . . . A 45 LYS H . 18190 1 492 . 1 1 45 45 LYS HA H 1 3.914 0.005 . 1 . . . A 45 LYS HA . 18190 1 493 . 1 1 45 45 LYS HB2 H 1 1.255 0.005 . 2 . . . A 45 LYS HB2 . 18190 1 494 . 1 1 45 45 LYS HB3 H 1 1.514 0.005 . 2 . . . A 45 LYS HB3 . 18190 1 495 . 1 1 45 45 LYS HG2 H 1 1.159 0.005 . 2 . . . A 45 LYS HG2 . 18190 1 496 . 1 1 45 45 LYS HG3 H 1 1.011 0.005 . 2 . . . A 45 LYS HG3 . 18190 1 497 . 1 1 45 45 LYS HD2 H 1 1.293 0.005 . 2 . . . A 45 LYS HD2 . 18190 1 498 . 1 1 45 45 LYS HD3 H 1 1.395 0.005 . 2 . . . A 45 LYS HD3 . 18190 1 499 . 1 1 45 45 LYS HE2 H 1 2.747 0.005 . 2 . . . A 45 LYS QE . 18190 1 500 . 1 1 45 45 LYS HE3 H 1 2.747 0.005 . 2 . . . A 45 LYS QE . 18190 1 501 . 1 1 45 45 LYS CA C 13 55.930 0.137 . 1 . . . A 45 LYS CA . 18190 1 502 . 1 1 45 45 LYS CB C 13 29.047 0.137 . 1 . . . A 45 LYS CB . 18190 1 503 . 1 1 45 45 LYS CG C 13 22.339 0.137 . 1 . . . A 45 LYS CG . 18190 1 504 . 1 1 45 45 LYS CD C 13 26.931 0.137 . 1 . . . A 45 LYS CD . 18190 1 505 . 1 1 45 45 LYS CE C 13 39.468 0.137 . 1 . . . A 45 LYS CE . 18190 1 506 . 1 1 45 45 LYS N N 15 120.647 0.091 . 1 . . . A 45 LYS N . 18190 1 507 . 1 1 46 46 PHE H H 1 8.346 0.005 . 1 . . . A 46 PHE H . 18190 1 508 . 1 1 46 46 PHE HA H 1 3.994 0.005 . 1 . . . A 46 PHE HA . 18190 1 509 . 1 1 46 46 PHE HB2 H 1 3.185 0.005 . 2 . . . A 46 PHE HB2 . 18190 1 510 . 1 1 46 46 PHE HB3 H 1 2.915 0.005 . 2 . . . A 46 PHE HB3 . 18190 1 511 . 1 1 46 46 PHE HD1 H 1 6.998 0.005 . 3 . . . A 46 PHE QD . 18190 1 512 . 1 1 46 46 PHE HD2 H 1 6.998 0.005 . 3 . . . A 46 PHE QD . 18190 1 513 . 1 1 46 46 PHE HE1 H 1 7.132 0.005 . 3 . . . A 46 PHE QE . 18190 1 514 . 1 1 46 46 PHE HE2 H 1 7.132 0.005 . 3 . . . A 46 PHE QE . 18190 1 515 . 1 1 46 46 PHE HZ H 1 6.973 0.005 . 1 . . . A 46 PHE HZ . 18190 1 516 . 1 1 46 46 PHE CA C 13 59.107 0.137 . 1 . . . A 46 PHE CA . 18190 1 517 . 1 1 46 46 PHE CB C 13 36.084 0.137 . 1 . . . A 46 PHE CB . 18190 1 518 . 1 1 46 46 PHE CD1 C 13 130.084 0.137 . 3 . . . A 46 PHE CD1 . 18190 1 519 . 1 1 46 46 PHE CD2 C 13 130.080 0.137 . 3 . . . A 46 PHE CD2 . 18190 1 520 . 1 1 46 46 PHE CE1 C 13 128.409 0.137 . 3 . . . A 46 PHE CE1 . 18190 1 521 . 1 1 46 46 PHE CE2 C 13 128.410 0.137 . 3 . . . A 46 PHE CE2 . 18190 1 522 . 1 1 46 46 PHE CZ C 13 128.552 0.137 . 1 . . . A 46 PHE CZ . 18190 1 523 . 1 1 46 46 PHE N N 15 118.569 0.091 . 1 . . . A 46 PHE N . 18190 1 524 . 1 1 47 47 LYS H H 1 8.091 0.005 . 1 . . . A 47 LYS H . 18190 1 525 . 1 1 47 47 LYS HA H 1 3.811 0.005 . 1 . . . A 47 LYS HA . 18190 1 526 . 1 1 47 47 LYS HB2 H 1 1.863 0.005 . 2 . . . A 47 LYS QB . 18190 1 527 . 1 1 47 47 LYS HB3 H 1 1.863 0.005 . 2 . . . A 47 LYS QB . 18190 1 528 . 1 1 47 47 LYS HG2 H 1 1.320 0.005 . 2 . . . A 47 LYS HG2 . 18190 1 529 . 1 1 47 47 LYS HG3 H 1 1.530 0.005 . 2 . . . A 47 LYS HG3 . 18190 1 530 . 1 1 47 47 LYS HE2 H 1 2.905 0.005 . 2 . . . A 47 LYS HE2 . 18190 1 531 . 1 1 47 47 LYS CA C 13 57.143 0.137 . 1 . . . A 47 LYS CA . 18190 1 532 . 1 1 47 47 LYS CB C 13 29.440 0.137 . 1 . . . A 47 LYS CB . 18190 1 533 . 1 1 47 47 LYS CG C 13 22.618 0.137 . 1 . . . A 47 LYS CG . 18190 1 534 . 1 1 47 47 LYS CE C 13 39.584 0.137 . 1 . . . A 47 LYS CE . 18190 1 535 . 1 1 47 47 LYS N N 15 120.958 0.091 . 1 . . . A 47 LYS N . 18190 1 536 . 1 1 48 48 GLN H H 1 7.596 0.005 . 1 . . . A 48 GLN H . 18190 1 537 . 1 1 48 48 GLN HA H 1 3.986 0.005 . 1 . . . A 48 GLN HA . 18190 1 538 . 1 1 48 48 GLN HB2 H 1 2.063 0.005 . 2 . . . A 48 GLN HB2 . 18190 1 539 . 1 1 48 48 GLN HB3 H 1 2.123 0.005 . 2 . . . A 48 GLN HB3 . 18190 1 540 . 1 1 48 48 GLN HG2 H 1 2.256 0.005 . 2 . . . A 48 GLN HG2 . 18190 1 541 . 1 1 48 48 GLN HG3 H 1 2.497 0.005 . 2 . . . A 48 GLN HG3 . 18190 1 542 . 1 1 48 48 GLN HE21 H 1 7.516 0.005 . 2 . . . A 48 GLN HE21 . 18190 1 543 . 1 1 48 48 GLN HE22 H 1 6.743 0.005 . 2 . . . A 48 GLN HE22 . 18190 1 544 . 1 1 48 48 GLN CA C 13 56.373 0.137 . 1 . . . A 48 GLN CA . 18190 1 545 . 1 1 48 48 GLN CB C 13 25.927 0.137 . 1 . . . A 48 GLN CB . 18190 1 546 . 1 1 48 48 GLN CG C 13 31.510 0.137 . 1 . . . A 48 GLN CG . 18190 1 547 . 1 1 48 48 GLN N N 15 118.516 0.091 . 1 . . . A 48 GLN N . 18190 1 548 . 1 1 48 48 GLN NE2 N 15 111.511 0.091 . 1 . . . A 48 GLN NE2 . 18190 1 549 . 1 1 49 49 ILE H H 1 7.939 0.005 . 1 . . . A 49 ILE H . 18190 1 550 . 1 1 49 49 ILE HA H 1 3.528 0.005 . 1 . . . A 49 ILE HA . 18190 1 551 . 1 1 49 49 ILE HB H 1 1.635 0.005 . 1 . . . A 49 ILE HB . 18190 1 552 . 1 1 49 49 ILE HG12 H 1 1.578 0.005 . 2 . . . A 49 ILE HG12 . 18190 1 553 . 1 1 49 49 ILE HG13 H 1 1.107 0.005 . 2 . . . A 49 ILE HG13 . 18190 1 554 . 1 1 49 49 ILE HG21 H 1 0.849 0.005 . 1 . . . A 49 ILE QG2 . 18190 1 555 . 1 1 49 49 ILE HG22 H 1 0.849 0.005 . 1 . . . A 49 ILE QG2 . 18190 1 556 . 1 1 49 49 ILE HG23 H 1 0.849 0.005 . 1 . . . A 49 ILE QG2 . 18190 1 557 . 1 1 49 49 ILE HD11 H 1 0.718 0.005 . 1 . . . A 49 ILE QD1 . 18190 1 558 . 1 1 49 49 ILE HD12 H 1 0.718 0.005 . 1 . . . A 49 ILE QD1 . 18190 1 559 . 1 1 49 49 ILE HD13 H 1 0.718 0.005 . 1 . . . A 49 ILE QD1 . 18190 1 560 . 1 1 49 49 ILE CA C 13 62.328 0.137 . 1 . . . A 49 ILE CA . 18190 1 561 . 1 1 49 49 ILE CB C 13 35.884 0.137 . 1 . . . A 49 ILE CB . 18190 1 562 . 1 1 49 49 ILE CG1 C 13 26.275 0.137 . 1 . . . A 49 ILE CG1 . 18190 1 563 . 1 1 49 49 ILE CG2 C 13 15.687 0.137 . 1 . . . A 49 ILE CG2 . 18190 1 564 . 1 1 49 49 ILE CD1 C 13 13.203 0.137 . 1 . . . A 49 ILE CD1 . 18190 1 565 . 1 1 49 49 ILE N N 15 118.711 0.091 . 1 . . . A 49 ILE N . 18190 1 566 . 1 1 50 50 SER H H 1 8.020 0.005 . 1 . . . A 50 SER H . 18190 1 567 . 1 1 50 50 SER HA H 1 3.922 0.005 . 1 . . . A 50 SER HA . 18190 1 568 . 1 1 50 50 SER HB2 H 1 3.659 0.005 . 2 . . . A 50 SER HB2 . 18190 1 569 . 1 1 50 50 SER HB3 H 1 3.578 0.005 . 2 . . . A 50 SER HB3 . 18190 1 570 . 1 1 50 50 SER CA C 13 59.491 0.137 . 1 . . . A 50 SER CA . 18190 1 571 . 1 1 50 50 SER CB C 13 59.808 0.137 . 1 . . . A 50 SER CB . 18190 1 572 . 1 1 50 50 SER N N 15 116.047 0.091 . 1 . . . A 50 SER N . 18190 1 573 . 1 1 51 51 GLN H H 1 7.923 0.005 . 1 . . . A 51 GLN H . 18190 1 574 . 1 1 51 51 GLN HA H 1 3.777 0.005 . 1 . . . A 51 GLN HA . 18190 1 575 . 1 1 51 51 GLN HB2 H 1 1.951 0.005 . 2 . . . A 51 GLN HB2 . 18190 1 576 . 1 1 51 51 GLN HB3 H 1 1.794 0.005 . 2 . . . A 51 GLN HB3 . 18190 1 577 . 1 1 51 51 GLN HG2 H 1 2.038 0.005 . 2 . . . A 51 GLN HG2 . 18190 1 578 . 1 1 51 51 GLN HG3 H 1 2.171 0.005 . 2 . . . A 51 GLN HG3 . 18190 1 579 . 1 1 51 51 GLN HE21 H 1 6.732 0.005 . 2 . . . A 51 GLN HE21 . 18190 1 580 . 1 1 51 51 GLN HE22 H 1 7.237 0.005 . 2 . . . A 51 GLN HE22 . 18190 1 581 . 1 1 51 51 GLN CA C 13 55.978 0.137 . 1 . . . A 51 GLN CA . 18190 1 582 . 1 1 51 51 GLN CB C 13 25.891 0.137 . 1 . . . A 51 GLN CB . 18190 1 583 . 1 1 51 51 GLN CG C 13 31.141 0.137 . 1 . . . A 51 GLN CG . 18190 1 584 . 1 1 51 51 GLN N N 15 122.129 0.091 . 1 . . . A 51 GLN N . 18190 1 585 . 1 1 51 51 GLN NE2 N 15 111.292 0.091 . 1 . . . A 51 GLN NE2 . 18190 1 586 . 1 1 52 52 ALA H H 1 7.321 0.005 . 1 . . . A 52 ALA H . 18190 1 587 . 1 1 52 52 ALA HA H 1 2.614 0.005 . 1 . . . A 52 ALA HA . 18190 1 588 . 1 1 52 52 ALA HB1 H 1 1.137 0.005 . 1 . . . A 52 ALA QB . 18190 1 589 . 1 1 52 52 ALA HB2 H 1 1.137 0.005 . 1 . . . A 52 ALA QB . 18190 1 590 . 1 1 52 52 ALA HB3 H 1 1.137 0.005 . 1 . . . A 52 ALA QB . 18190 1 591 . 1 1 52 52 ALA CA C 13 51.441 0.137 . 1 . . . A 52 ALA CA . 18190 1 592 . 1 1 52 52 ALA CB C 13 15.853 0.137 . 1 . . . A 52 ALA CB . 18190 1 593 . 1 1 52 52 ALA N N 15 119.308 0.091 . 1 . . . A 52 ALA N . 18190 1 594 . 1 1 53 53 TYR H H 1 7.986 0.005 . 1 . . . A 53 TYR H . 18190 1 595 . 1 1 53 53 TYR HA H 1 3.610 0.005 . 1 . . . A 53 TYR HA . 18190 1 596 . 1 1 53 53 TYR HB2 H 1 2.287 0.005 . 2 . . . A 53 TYR HB2 . 18190 1 597 . 1 1 53 53 TYR HB3 H 1 2.607 0.005 . 2 . . . A 53 TYR HB3 . 18190 1 598 . 1 1 53 53 TYR HD1 H 1 6.303 0.005 . 3 . . . A 53 TYR QD . 18190 1 599 . 1 1 53 53 TYR HD2 H 1 6.303 0.005 . 3 . . . A 53 TYR QD . 18190 1 600 . 1 1 53 53 TYR HE1 H 1 6.303 0.005 . 3 . . . A 53 TYR QE . 18190 1 601 . 1 1 53 53 TYR HE2 H 1 6.303 0.005 . 3 . . . A 53 TYR QE . 18190 1 602 . 1 1 53 53 TYR CA C 13 59.020 0.137 . 1 . . . A 53 TYR CA . 18190 1 603 . 1 1 53 53 TYR CB C 13 36.715 0.137 . 1 . . . A 53 TYR CB . 18190 1 604 . 1 1 53 53 TYR CD1 C 13 129.219 0.137 . 3 . . . A 53 TYR CD1 . 18190 1 605 . 1 1 53 53 TYR CD2 C 13 129.220 0.137 . 3 . . . A 53 TYR CD2 . 18190 1 606 . 1 1 53 53 TYR CE1 C 13 115.116 0.137 . 3 . . . A 53 TYR CE1 . 18190 1 607 . 1 1 53 53 TYR CE2 C 13 115.120 0.137 . 3 . . . A 53 TYR CE2 . 18190 1 608 . 1 1 53 53 TYR N N 15 115.555 0.091 . 1 . . . A 53 TYR N . 18190 1 609 . 1 1 54 54 GLU H H 1 8.151 0.005 . 1 . . . A 54 GLU H . 18190 1 610 . 1 1 54 54 GLU HA H 1 3.324 0.005 . 1 . . . A 54 GLU HA . 18190 1 611 . 1 1 54 54 GLU HB2 H 1 1.886 0.005 . 2 . . . A 54 GLU HB2 . 18190 1 612 . 1 1 54 54 GLU HB3 H 1 1.828 0.005 . 2 . . . A 54 GLU HB3 . 18190 1 613 . 1 1 54 54 GLU HG2 H 1 2.000 0.005 . 2 . . . A 54 GLU HG2 . 18190 1 614 . 1 1 54 54 GLU HG3 H 1 2.161 0.005 . 2 . . . A 54 GLU HG3 . 18190 1 615 . 1 1 54 54 GLU CA C 13 56.871 0.137 . 1 . . . A 54 GLU CA . 18190 1 616 . 1 1 54 54 GLU CB C 13 26.479 0.137 . 1 . . . A 54 GLU CB . 18190 1 617 . 1 1 54 54 GLU CG C 13 33.697 0.137 . 1 . . . A 54 GLU CG . 18190 1 618 . 1 1 54 54 GLU N N 15 121.368 0.091 . 1 . . . A 54 GLU N . 18190 1 619 . 1 1 55 55 VAL H H 1 6.804 0.005 . 1 . . . A 55 VAL H . 18190 1 620 . 1 1 55 55 VAL HA H 1 3.358 0.005 . 1 . . . A 55 VAL HA . 18190 1 621 . 1 1 55 55 VAL HB H 1 1.348 0.005 . 1 . . . A 55 VAL HB . 18190 1 622 . 1 1 55 55 VAL HG11 H 1 0.512 0.005 . 2 . . . A 55 VAL QG1 . 18190 1 623 . 1 1 55 55 VAL HG12 H 1 0.512 0.005 . 2 . . . A 55 VAL QG1 . 18190 1 624 . 1 1 55 55 VAL HG13 H 1 0.512 0.005 . 2 . . . A 55 VAL QG1 . 18190 1 625 . 1 1 55 55 VAL HG21 H 1 0.793 0.005 . 2 . . . A 55 VAL QG2 . 18190 1 626 . 1 1 55 55 VAL HG22 H 1 0.793 0.005 . 2 . . . A 55 VAL QG2 . 18190 1 627 . 1 1 55 55 VAL HG23 H 1 0.793 0.005 . 2 . . . A 55 VAL QG2 . 18190 1 628 . 1 1 55 55 VAL CA C 13 63.088 0.137 . 1 . . . A 55 VAL CA . 18190 1 629 . 1 1 55 55 VAL CB C 13 29.367 0.137 . 1 . . . A 55 VAL CB . 18190 1 630 . 1 1 55 55 VAL CG1 C 13 18.341 0.137 . 2 . . . A 55 VAL CG1 . 18190 1 631 . 1 1 55 55 VAL CG2 C 13 20.363 0.137 . 2 . . . A 55 VAL CG2 . 18190 1 632 . 1 1 55 55 VAL N N 15 115.901 0.091 . 1 . . . A 55 VAL N . 18190 1 633 . 1 1 56 56 LEU H H 1 7.419 0.005 . 1 . . . A 56 LEU H . 18190 1 634 . 1 1 56 56 LEU HA H 1 3.551 0.005 . 1 . . . A 56 LEU HA . 18190 1 635 . 1 1 56 56 LEU HB2 H 1 1.047 0.005 . 2 . . . A 56 LEU HB2 . 18190 1 636 . 1 1 56 56 LEU HB3 H 1 1.261 0.005 . 2 . . . A 56 LEU HB3 . 18190 1 637 . 1 1 56 56 LEU HG H 1 1.414 0.005 . 1 . . . A 56 LEU HG . 18190 1 638 . 1 1 56 56 LEU HD11 H 1 0.017 0.005 . 2 . . . A 56 LEU QD1 . 18190 1 639 . 1 1 56 56 LEU HD12 H 1 0.017 0.005 . 2 . . . A 56 LEU QD1 . 18190 1 640 . 1 1 56 56 LEU HD13 H 1 0.017 0.005 . 2 . . . A 56 LEU QD1 . 18190 1 641 . 1 1 56 56 LEU HD21 H 1 0.267 0.005 . 2 . . . A 56 LEU QD2 . 18190 1 642 . 1 1 56 56 LEU HD22 H 1 0.267 0.005 . 2 . . . A 56 LEU QD2 . 18190 1 643 . 1 1 56 56 LEU HD23 H 1 0.267 0.005 . 2 . . . A 56 LEU QD2 . 18190 1 644 . 1 1 56 56 LEU CA C 13 53.895 0.137 . 1 . . . A 56 LEU CA . 18190 1 645 . 1 1 56 56 LEU CB C 13 40.086 0.137 . 1 . . . A 56 LEU CB . 18190 1 646 . 1 1 56 56 LEU CG C 13 22.997 0.137 . 1 . . . A 56 LEU CG . 18190 1 647 . 1 1 56 56 LEU CD1 C 13 23.299 0.137 . 2 . . . A 56 LEU CD1 . 18190 1 648 . 1 1 56 56 LEU CD2 C 13 20.025 0.137 . 2 . . . A 56 LEU CD2 . 18190 1 649 . 1 1 56 56 LEU N N 15 111.319 0.091 . 1 . . . A 56 LEU N . 18190 1 650 . 1 1 57 57 SER H H 1 7.688 0.005 . 1 . . . A 57 SER H . 18190 1 651 . 1 1 57 57 SER HA H 1 4.028 0.005 . 1 . . . A 57 SER HA . 18190 1 652 . 1 1 57 57 SER HB2 H 1 3.404 0.005 . 2 . . . A 57 SER HB2 . 18190 1 653 . 1 1 57 57 SER HB3 H 1 2.541 0.005 . 2 . . . A 57 SER HB3 . 18190 1 654 . 1 1 57 57 SER CA C 13 56.549 0.137 . 1 . . . A 57 SER CA . 18190 1 655 . 1 1 57 57 SER CB C 13 60.356 0.137 . 1 . . . A 57 SER CB . 18190 1 656 . 1 1 57 57 SER N N 15 108.463 0.091 . 1 . . . A 57 SER N . 18190 1 657 . 1 1 58 58 ASP H H 1 6.864 0.005 . 1 . . . A 58 ASP H . 18190 1 658 . 1 1 58 58 ASP HA H 1 4.650 0.005 . 1 . . . A 58 ASP HA . 18190 1 659 . 1 1 58 58 ASP HB2 H 1 2.809 0.005 . 2 . . . A 58 ASP HB2 . 18190 1 660 . 1 1 58 58 ASP HB3 H 1 2.382 0.005 . 2 . . . A 58 ASP HB3 . 18190 1 661 . 1 1 58 58 ASP CA C 13 49.698 0.137 . 1 . . . A 58 ASP CA . 18190 1 662 . 1 1 58 58 ASP CB C 13 40.799 0.137 . 1 . . . A 58 ASP CB . 18190 1 663 . 1 1 58 58 ASP N N 15 124.374 0.091 . 1 . . . A 58 ASP N . 18190 1 664 . 1 1 59 59 ALA H H 1 8.701 0.005 . 1 . . . A 59 ALA H . 18190 1 665 . 1 1 59 59 ALA HA H 1 3.832 0.005 . 1 . . . A 59 ALA HA . 18190 1 666 . 1 1 59 59 ALA HB1 H 1 1.379 0.005 . 1 . . . A 59 ALA QB . 18190 1 667 . 1 1 59 59 ALA HB2 H 1 1.379 0.005 . 1 . . . A 59 ALA QB . 18190 1 668 . 1 1 59 59 ALA HB3 H 1 1.379 0.005 . 1 . . . A 59 ALA QB . 18190 1 669 . 1 1 59 59 ALA CA C 13 53.276 0.137 . 1 . . . A 59 ALA CA . 18190 1 670 . 1 1 59 59 ALA CB C 13 16.084 0.137 . 1 . . . A 59 ALA CB . 18190 1 671 . 1 1 59 59 ALA N N 15 127.320 0.091 . 1 . . . A 59 ALA N . 18190 1 672 . 1 1 60 60 LYS H H 1 7.929 0.005 . 1 . . . A 60 LYS H . 18190 1 673 . 1 1 60 60 LYS HA H 1 4.153 0.005 . 1 . . . A 60 LYS HA . 18190 1 674 . 1 1 60 60 LYS HB2 H 1 1.813 0.005 . 2 . . . A 60 LYS HB2 . 18190 1 675 . 1 1 60 60 LYS HB3 H 1 1.872 0.005 . 2 . . . A 60 LYS HB3 . 18190 1 676 . 1 1 60 60 LYS HG2 H 1 1.375 0.005 . 2 . . . A 60 LYS HG2 . 18190 1 677 . 1 1 60 60 LYS HG3 H 1 1.450 0.005 . 2 . . . A 60 LYS HG3 . 18190 1 678 . 1 1 60 60 LYS HD2 H 1 1.632 0.005 . 2 . . . A 60 LYS QD . 18190 1 679 . 1 1 60 60 LYS HD3 H 1 1.632 0.005 . 2 . . . A 60 LYS QD . 18190 1 680 . 1 1 60 60 LYS HE2 H 1 2.901 0.005 . 2 . . . A 60 LYS QE . 18190 1 681 . 1 1 60 60 LYS HE3 H 1 2.901 0.005 . 2 . . . A 60 LYS QE . 18190 1 682 . 1 1 60 60 LYS CA C 13 55.928 0.137 . 1 . . . A 60 LYS CA . 18190 1 683 . 1 1 60 60 LYS CB C 13 29.180 0.137 . 1 . . . A 60 LYS CB . 18190 1 684 . 1 1 60 60 LYS CG C 13 22.372 0.137 . 1 . . . A 60 LYS CG . 18190 1 685 . 1 1 60 60 LYS CD C 13 26.121 0.137 . 1 . . . A 60 LYS CD . 18190 1 686 . 1 1 60 60 LYS CE C 13 39.621 0.137 . 1 . . . A 60 LYS CE . 18190 1 687 . 1 1 60 60 LYS N N 15 117.035 0.091 . 1 . . . A 60 LYS N . 18190 1 688 . 1 1 61 61 LYS H H 1 8.199 0.005 . 1 . . . A 61 LYS H . 18190 1 689 . 1 1 61 61 LYS HA H 1 3.940 0.005 . 1 . . . A 61 LYS HA . 18190 1 690 . 1 1 61 61 LYS HB2 H 1 2.347 0.005 . 2 . . . A 61 LYS HB2 . 18190 1 691 . 1 1 61 61 LYS HB3 H 1 1.780 0.005 . 2 . . . A 61 LYS HB3 . 18190 1 692 . 1 1 61 61 LYS HG2 H 1 1.287 0.005 . 2 . . . A 61 LYS HG2 . 18190 1 693 . 1 1 61 61 LYS HG3 H 1 1.475 0.005 . 2 . . . A 61 LYS HG3 . 18190 1 694 . 1 1 61 61 LYS HE2 H 1 2.380 0.005 . 2 . . . A 61 LYS HE2 . 18190 1 695 . 1 1 61 61 LYS HE3 H 1 2.810 0.005 . 2 . . . A 61 LYS HE3 . 18190 1 696 . 1 1 61 61 LYS CA C 13 57.395 0.137 . 1 . . . A 61 LYS CA . 18190 1 697 . 1 1 61 61 LYS CB C 13 30.091 0.137 . 1 . . . A 61 LYS CB . 18190 1 698 . 1 1 61 61 LYS CG C 13 24.007 0.137 . 1 . . . A 61 LYS CG . 18190 1 699 . 1 1 61 61 LYS CE C 13 40.772 0.137 . 1 . . . A 61 LYS CE . 18190 1 700 . 1 1 61 61 LYS N N 15 121.368 0.091 . 1 . . . A 61 LYS N . 18190 1 701 . 1 1 62 62 ARG H H 1 9.319 0.005 . 1 . . . A 62 ARG H . 18190 1 702 . 1 1 62 62 ARG HA H 1 3.654 0.005 . 1 . . . A 62 ARG HA . 18190 1 703 . 1 1 62 62 ARG HB2 H 1 1.696 0.005 . 2 . . . A 62 ARG HB2 . 18190 1 704 . 1 1 62 62 ARG HB3 H 1 2.140 0.005 . 2 . . . A 62 ARG HB3 . 18190 1 705 . 1 1 62 62 ARG HG2 H 1 1.697 0.005 . 2 . . . A 62 ARG HG2 . 18190 1 706 . 1 1 62 62 ARG HG3 H 1 1.816 0.005 . 2 . . . A 62 ARG HG3 . 18190 1 707 . 1 1 62 62 ARG HD2 H 1 3.097 0.005 . 2 . . . A 62 ARG HD2 . 18190 1 708 . 1 1 62 62 ARG HD3 H 1 3.517 0.005 . 2 . . . A 62 ARG HD3 . 18190 1 709 . 1 1 62 62 ARG HE H 1 7.874 0.005 . 1 . . . A 62 ARG HE . 18190 1 710 . 1 1 62 62 ARG CA C 13 57.517 0.137 . 1 . . . A 62 ARG CA . 18190 1 711 . 1 1 62 62 ARG CB C 13 27.137 0.137 . 1 . . . A 62 ARG CB . 18190 1 712 . 1 1 62 62 ARG CG C 13 24.055 0.137 . 1 . . . A 62 ARG CG . 18190 1 713 . 1 1 62 62 ARG CD C 13 41.336 0.137 . 1 . . . A 62 ARG CD . 18190 1 714 . 1 1 62 62 ARG N N 15 122.685 0.091 . 1 . . . A 62 ARG N . 18190 1 715 . 1 1 62 62 ARG NE N 15 86.850 0.091 . 1 . . . A 62 ARG NE . 18190 1 716 . 1 1 63 63 GLU H H 1 7.560 0.005 . 1 . . . A 63 GLU H . 18190 1 717 . 1 1 63 63 GLU HA H 1 4.081 0.005 . 1 . . . A 63 GLU HA . 18190 1 718 . 1 1 63 63 GLU HB2 H 1 2.125 0.005 . 2 . . . A 63 GLU HB2 . 18190 1 719 . 1 1 63 63 GLU HB3 H 1 2.363 0.005 . 2 . . . A 63 GLU HB3 . 18190 1 720 . 1 1 63 63 GLU CA C 13 56.801 0.137 . 1 . . . A 63 GLU CA . 18190 1 721 . 1 1 63 63 GLU CB C 13 27.009 0.137 . 1 . . . A 63 GLU CB . 18190 1 722 . 1 1 63 63 GLU N N 15 118.399 0.091 . 1 . . . A 63 GLU N . 18190 1 723 . 1 1 64 64 LEU H H 1 7.415 0.005 . 1 . . . A 64 LEU H . 18190 1 724 . 1 1 64 64 LEU HA H 1 3.991 0.005 . 1 . . . A 64 LEU HA . 18190 1 725 . 1 1 64 64 LEU HB2 H 1 1.547 0.005 . 2 . . . A 64 LEU HB2 . 18190 1 726 . 1 1 64 64 LEU HB3 H 1 1.777 0.005 . 2 . . . A 64 LEU HB3 . 18190 1 727 . 1 1 64 64 LEU HG H 1 1.694 0.005 . 1 . . . A 64 LEU HG . 18190 1 728 . 1 1 64 64 LEU HD21 H 1 0.805 0.005 . 2 . . . A 64 LEU QD2 . 18190 1 729 . 1 1 64 64 LEU HD22 H 1 0.805 0.005 . 2 . . . A 64 LEU QD2 . 18190 1 730 . 1 1 64 64 LEU HD23 H 1 0.805 0.005 . 2 . . . A 64 LEU QD2 . 18190 1 731 . 1 1 64 64 LEU CA C 13 55.055 0.137 . 1 . . . A 64 LEU CA . 18190 1 732 . 1 1 64 64 LEU CB C 13 39.225 0.137 . 1 . . . A 64 LEU CB . 18190 1 733 . 1 1 64 64 LEU CG C 13 24.389 0.137 . 1 . . . A 64 LEU CG . 18190 1 734 . 1 1 64 64 LEU CD2 C 13 20.925 0.137 . 2 . . . A 64 LEU CD2 . 18190 1 735 . 1 1 64 64 LEU N N 15 118.074 0.091 . 1 . . . A 64 LEU N . 18190 1 736 . 1 1 65 65 TYR H H 1 8.382 0.005 . 1 . . . A 65 TYR H . 18190 1 737 . 1 1 65 65 TYR HA H 1 4.079 0.005 . 1 . . . A 65 TYR HA . 18190 1 738 . 1 1 65 65 TYR HB2 H 1 3.060 0.005 . 2 . . . A 65 TYR HB2 . 18190 1 739 . 1 1 65 65 TYR HB3 H 1 2.982 0.005 . 2 . . . A 65 TYR HB3 . 18190 1 740 . 1 1 65 65 TYR HD1 H 1 7.050 0.005 . 3 . . . A 65 TYR QD . 18190 1 741 . 1 1 65 65 TYR HD2 H 1 7.050 0.005 . 3 . . . A 65 TYR QD . 18190 1 742 . 1 1 65 65 TYR HE1 H 1 6.403 0.005 . 3 . . . A 65 TYR QE . 18190 1 743 . 1 1 65 65 TYR HE2 H 1 6.403 0.005 . 3 . . . A 65 TYR QE . 18190 1 744 . 1 1 65 65 TYR CA C 13 58.905 0.137 . 1 . . . A 65 TYR CA . 18190 1 745 . 1 1 65 65 TYR CB C 13 36.148 0.137 . 1 . . . A 65 TYR CB . 18190 1 746 . 1 1 65 65 TYR CD1 C 13 130.640 0.137 . 3 . . . A 65 TYR CD1 . 18190 1 747 . 1 1 65 65 TYR CD2 C 13 130.338 0.137 . 3 . . . A 65 TYR CD2 . 18190 1 748 . 1 1 65 65 TYR CE1 C 13 115.960 0.137 . 3 . . . A 65 TYR CE1 . 18190 1 749 . 1 1 65 65 TYR CE2 C 13 115.961 0.137 . 3 . . . A 65 TYR CE2 . 18190 1 750 . 1 1 65 65 TYR N N 15 122.761 0.091 . 1 . . . A 65 TYR N . 18190 1 751 . 1 1 66 66 ASP H H 1 9.010 0.005 . 1 . . . A 66 ASP H . 18190 1 752 . 1 1 66 66 ASP HA H 1 4.412 0.005 . 1 . . . A 66 ASP HA . 18190 1 753 . 1 1 66 66 ASP HB2 H 1 2.764 0.005 . 2 . . . A 66 ASP HB2 . 18190 1 754 . 1 1 66 66 ASP HB3 H 1 2.645 0.005 . 2 . . . A 66 ASP HB3 . 18190 1 755 . 1 1 66 66 ASP CA C 13 53.927 0.137 . 1 . . . A 66 ASP CA . 18190 1 756 . 1 1 66 66 ASP CB C 13 37.777 0.137 . 1 . . . A 66 ASP CB . 18190 1 757 . 1 1 66 66 ASP N N 15 120.746 0.091 . 1 . . . A 66 ASP N . 18190 1 758 . 1 1 67 67 LYS H H 1 7.640 0.005 . 1 . . . A 67 LYS H . 18190 1 759 . 1 1 67 67 LYS HA H 1 4.198 0.005 . 1 . . . A 67 LYS HA . 18190 1 760 . 1 1 67 67 LYS HB2 H 1 1.858 0.005 . 2 . . . A 67 LYS QB . 18190 1 761 . 1 1 67 67 LYS HB3 H 1 1.858 0.005 . 2 . . . A 67 LYS QB . 18190 1 762 . 1 1 67 67 LYS HG2 H 1 1.544 0.005 . 2 . . . A 67 LYS HG2 . 18190 1 763 . 1 1 67 67 LYS HG3 H 1 1.450 0.005 . 2 . . . A 67 LYS HG3 . 18190 1 764 . 1 1 67 67 LYS HD2 H 1 1.851 0.005 . 2 . . . A 67 LYS QD . 18190 1 765 . 1 1 67 67 LYS HD3 H 1 1.851 0.005 . 2 . . . A 67 LYS QD . 18190 1 766 . 1 1 67 67 LYS HE2 H 1 2.907 0.005 . 2 . . . A 67 LYS QE . 18190 1 767 . 1 1 67 67 LYS HE3 H 1 2.907 0.005 . 2 . . . A 67 LYS QE . 18190 1 768 . 1 1 67 67 LYS CA C 13 54.612 0.137 . 1 . . . A 67 LYS CA . 18190 1 769 . 1 1 67 67 LYS CB C 13 30.362 0.137 . 1 . . . A 67 LYS CB . 18190 1 770 . 1 1 67 67 LYS CG C 13 22.711 0.137 . 1 . . . A 67 LYS CG . 18190 1 771 . 1 1 67 67 LYS CD C 13 30.449 0.137 . 1 . . . A 67 LYS CD . 18190 1 772 . 1 1 67 67 LYS CE C 13 39.558 0.137 . 1 . . . A 67 LYS CE . 18190 1 773 . 1 1 67 67 LYS N N 15 117.724 0.091 . 1 . . . A 67 LYS N . 18190 1 774 . 1 1 68 68 GLY H H 1 7.733 0.005 . 1 . . . A 68 GLY H . 18190 1 775 . 1 1 68 68 GLY HA2 H 1 3.891 0.005 . 2 . . . A 68 GLY QA . 18190 1 776 . 1 1 68 68 GLY HA3 H 1 3.891 0.005 . 2 . . . A 68 GLY QA . 18190 1 777 . 1 1 68 68 GLY CA C 13 43.056 0.137 . 1 . . . A 68 GLY CA . 18190 1 778 . 1 1 68 68 GLY N N 15 107.203 0.091 . 1 . . . A 68 GLY N . 18190 1 779 . 1 1 69 69 GLY H H 1 8.229 0.005 . 1 . . . A 69 GLY H . 18190 1 780 . 1 1 69 69 GLY HA2 H 1 3.769 0.005 . 2 . . . A 69 GLY HA2 . 18190 1 781 . 1 1 69 69 GLY HA3 H 1 3.819 0.005 . 2 . . . A 69 GLY HA3 . 18190 1 782 . 1 1 69 69 GLY CA C 13 42.278 0.137 . 1 . . . A 69 GLY CA . 18190 1 783 . 1 1 69 69 GLY N N 15 108.442 0.091 . 1 . . . A 69 GLY N . 18190 1 784 . 1 1 70 70 GLU H H 1 8.100 0.005 . 1 . . . A 70 GLU H . 18190 1 785 . 1 1 70 70 GLU HA H 1 4.209 0.005 . 1 . . . A 70 GLU HA . 18190 1 786 . 1 1 70 70 GLU HB2 H 1 1.998 0.005 . 2 . . . A 70 GLU HB2 . 18190 1 787 . 1 1 70 70 GLU HB3 H 1 1.852 0.005 . 2 . . . A 70 GLU HB3 . 18190 1 788 . 1 1 70 70 GLU HG2 H 1 2.221 0.005 . 2 . . . A 70 GLU QG . 18190 1 789 . 1 1 70 70 GLU HG3 H 1 2.221 0.005 . 2 . . . A 70 GLU QG . 18190 1 790 . 1 1 70 70 GLU CA C 13 53.932 0.137 . 1 . . . A 70 GLU CA . 18190 1 791 . 1 1 70 70 GLU CB C 13 27.803 0.137 . 1 . . . A 70 GLU CB . 18190 1 792 . 1 1 70 70 GLU CG C 13 33.709 0.137 . 1 . . . A 70 GLU CG . 18190 1 793 . 1 1 70 70 GLU N N 15 120.450 0.091 . 1 . . . A 70 GLU N . 18190 1 794 . 1 1 71 71 GLN H H 1 7.968 0.005 . 1 . . . A 71 GLN H . 18190 1 795 . 1 1 71 71 GLN HA H 1 4.063 0.005 . 1 . . . A 71 GLN HA . 18190 1 796 . 1 1 71 71 GLN HB2 H 1 1.823 0.005 . 2 . . . A 71 GLN QB . 18190 1 797 . 1 1 71 71 GLN HB3 H 1 1.823 0.005 . 2 . . . A 71 GLN QB . 18190 1 798 . 1 1 71 71 GLN HG2 H 1 2.206 0.005 . 2 . . . A 71 GLN QG . 18190 1 799 . 1 1 71 71 GLN HG3 H 1 2.206 0.005 . 2 . . . A 71 GLN QG . 18190 1 800 . 1 1 71 71 GLN HE21 H 1 7.406 0.005 . 2 . . . A 71 GLN HE21 . 18190 1 801 . 1 1 71 71 GLN HE22 H 1 6.683 0.005 . 2 . . . A 71 GLN HE22 . 18190 1 802 . 1 1 71 71 GLN CA C 13 54.630 0.137 . 1 . . . A 71 GLN CA . 18190 1 803 . 1 1 71 71 GLN CB C 13 30.111 0.137 . 1 . . . A 71 GLN CB . 18190 1 804 . 1 1 71 71 GLN CG C 13 31.618 0.137 . 1 . . . A 71 GLN CG . 18190 1 805 . 1 1 71 71 GLN N N 15 126.309 0.091 . 1 . . . A 71 GLN N . 18190 1 806 . 1 1 71 71 GLN NE2 N 15 112.377 0.091 . 1 . . . A 71 GLN NE2 . 18190 1 stop_ save_