data_36733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36733 _Entry.Title ; SERF1_HUMAN short isoform of Small EDRK-rich factor 1, serf1a at pH 6.8. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-27 _Entry.Accession_date 2025-02-27 _Entry.Last_release_date 2026-02-26 _Entry.Original_release_date 2026-02-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Huang S. Y. . . 36733 2 O. Shih O. . . . 36733 3 U. Jeng U. S. . . 36733 4 C. Chang C. F. . . 36733 5 J. Lin J. H. . . 36733 6 T. Malliavin T. E. . . 36733 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NUCLEAR PROTEIN' . 36733 'RNA-binding protein' . 36733 'and neurological disorders.' . 36733 'intrinsic disorder protein' . 36733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 36733 '15N chemical shifts' 54 36733 '1H chemical shifts' 280 36733 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 . . 2026-03-26 . original BMRB . 36733 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36732 'SERF1_HUMAN short isoform of Small EDRK-rich factor 1, SERF1a at pH 6.0.' 36733 PDB 9M2D 'BMRB Entry Tracking System' 36733 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36733 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41585721 _Citation.DOI 10.1021/acsomega.5c07620 _Citation.Full_citation . _Citation.Title ; pH Sensitivity of the SERF1a Conformational Ensemble. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Omega' _Citation.Journal_name_full 'ACS omega' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2470-1343 _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 2614 _Citation.Page_last 2627 _Citation.Year 2026 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shu-Yu Huang S. Y. . . 36733 1 2 Orion Shih O. . . . 36733 1 3 U-Ser Jeng U. S. . . 36733 1 4 Chi-Fon Chang C. F. . . 36733 1 5 Jung-Hsin Lin J. H. . . 36733 1 6 Therese Malliavin T. E. . . 36733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36733 _Assembly.ID 1 _Assembly.Name 'Isoform Short of Small EDRK-rich factor 1' _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 'not present' _Assembly.Molecular_mass 7499.576 _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 1 $entity_1 A A yes . . . . 'Protein 4F5,h4F5,SMA modifier 1' 'The two residues, Gly-Ser (GS), are remnants from the affinity tag removal process.' 36733 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A -1 GLY . start no . 36733 1 . 1 1 10 GLU 10 . A 8 GLU . middle . . 36733 1 . 1 1 11 LEU 11 . A 9 LEU . middle . . 36733 1 . 1 1 12 ALA 12 . A 10 ALA . middle . . 36733 1 . 1 1 13 ARG 13 . A 11 ARG . middle . . 36733 1 . 1 1 14 GLN 14 . A 12 GLN . middle . . 36733 1 . 1 1 15 LYS 15 . A 13 LYS . middle . . 36733 1 . 1 1 16 ASN 16 . A 14 ASN . middle . . 36733 1 . 1 1 17 MET 17 . A 15 MET . middle . . 36733 1 . 1 1 18 LYS 18 . A 16 LYS . middle . . 36733 1 . 1 1 19 LYS 19 . A 17 LYS . middle . . 36733 1 . 1 1 2 SER 2 . A 0 SER . middle . . 36733 1 . 1 1 20 THR 20 . A 18 THR . middle . . 36733 1 . 1 1 21 GLN 21 . A 19 GLN . middle . . 36733 1 . 1 1 22 GLU 22 . A 20 GLU . middle . . 36733 1 . 1 1 23 ILE 23 . A 21 ILE . middle . . 36733 1 . 1 1 24 SER 24 . A 22 SER . middle . . 36733 1 . 1 1 25 LYS 25 . A 23 LYS . middle . . 36733 1 . 1 1 26 GLY 26 . A 24 GLY . middle no . 36733 1 . 1 1 27 LYS 27 . A 25 LYS . middle . . 36733 1 . 1 1 28 ARG 28 . A 26 ARG . middle . . 36733 1 . 1 1 29 LYS 29 . A 27 LYS . middle . . 36733 1 . 1 1 3 MET 3 . A 1 MET . middle . . 36733 1 . 1 1 30 GLU 30 . A 28 GLU . middle . . 36733 1 . 1 1 31 ASP 31 . A 29 ASP . middle . . 36733 1 . 1 1 32 SER 32 . A 30 SER . middle . . 36733 1 . 1 1 33 LEU 33 . A 31 LEU . middle . . 36733 1 . 1 1 34 THR 34 . A 32 THR . middle . . 36733 1 . 1 1 35 ALA 35 . A 33 ALA . middle . . 36733 1 . 1 1 36 SER 36 . A 34 SER . middle . . 36733 1 . 1 1 37 GLN 37 . A 35 GLN . middle . . 36733 1 . 1 1 38 ARG 38 . A 36 ARG . middle . . 36733 1 . 1 1 39 LYS 39 . A 37 LYS . middle . . 36733 1 . 1 1 4 ALA 4 . A 2 ALA . middle . . 36733 1 . 1 1 40 GLN 40 . A 38 GLN . middle . . 36733 1 . 1 1 41 ARG 41 . A 39 ARG . middle . . 36733 1 . 1 1 42 ASP 42 . A 40 ASP . middle . . 36733 1 . 1 1 43 SER 43 . A 41 SER . middle . . 36733 1 . 1 1 44 GLU 44 . A 42 GLU . middle . . 36733 1 . 1 1 45 ILE 45 . A 43 ILE . middle . . 36733 1 . 1 1 46 MET 46 . A 44 MET . middle . . 36733 1 . 1 1 47 GLN 47 . A 45 GLN . middle . . 36733 1 . 1 1 48 GLU 48 . A 46 GLU . middle . . 36733 1 . 1 1 49 LYS 49 . A 47 LYS . middle . . 36733 1 . 1 1 5 ARG 5 . A 3 ARG . middle . . 36733 1 . 1 1 50 GLN 50 . A 48 GLN . middle . . 36733 1 . 1 1 51 LYS 51 . A 49 LYS . middle . . 36733 1 . 1 1 52 ALA 52 . A 50 ALA . middle . . 36733 1 . 1 1 53 ALA 53 . A 51 ALA . middle . . 36733 1 . 1 1 54 ASN 54 . A 52 ASN . middle . . 36733 1 . 1 1 55 GLU 55 . A 53 GLU . middle . . 36733 1 . 1 1 56 LYS 56 . A 54 LYS . middle . . 36733 1 . 1 1 57 LYS 57 . A 55 LYS . middle . . 36733 1 . 1 1 58 SER 58 . A 56 SER . middle . . 36733 1 . 1 1 59 MET 59 . A 57 MET . middle . . 36733 1 . 1 1 6 GLY 6 . A 4 GLY . middle no . 36733 1 . 1 1 60 GLN 60 . A 58 GLN . middle . . 36733 1 . 1 1 61 THR 61 . A 59 THR . middle . . 36733 1 . 1 1 62 ARG 62 . A 60 ARG . middle . . 36733 1 . 1 1 63 GLU 63 . A 61 GLU . middle . . 36733 1 . 1 1 64 LYS 64 . A 62 LYS . end . . 36733 1 . 1 1 7 ASN 7 . A 5 ASN . middle . . 36733 1 . 1 1 8 GLN 8 . A 6 GLN . middle . . 36733 1 . 1 1 9 ARG 9 . A 7 ARG . middle . . 36733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Isoform Short of Small EDRK-rich factor 1' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GSMARGNQRELARQKNMKKT QEISKGKRKEDSLTASQRKQ RDSEIMQEKQKAANEKKSMQ TREK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _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 7499.576 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The two residues, Gly-Ser (GS), are remnants from the affinity tag removal process.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein 4F5,h4F5,SMA modifier 1' common 36733 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 . 36733 1 2 0 SER . 36733 1 3 1 MET . 36733 1 4 2 ALA . 36733 1 5 3 ARG . 36733 1 6 4 GLY . 36733 1 7 5 ASN . 36733 1 8 6 GLN . 36733 1 9 7 ARG . 36733 1 10 8 GLU . 36733 1 11 9 LEU . 36733 1 12 10 ALA . 36733 1 13 11 ARG . 36733 1 14 12 GLN . 36733 1 15 13 LYS . 36733 1 16 14 ASN . 36733 1 17 15 MET . 36733 1 18 16 LYS . 36733 1 19 17 LYS . 36733 1 20 18 THR . 36733 1 21 19 GLN . 36733 1 22 20 GLU . 36733 1 23 21 ILE . 36733 1 24 22 SER . 36733 1 25 23 LYS . 36733 1 26 24 GLY . 36733 1 27 25 LYS . 36733 1 28 26 ARG . 36733 1 29 27 LYS . 36733 1 30 28 GLU . 36733 1 31 29 ASP . 36733 1 32 30 SER . 36733 1 33 31 LEU . 36733 1 34 32 THR . 36733 1 35 33 ALA . 36733 1 36 34 SER . 36733 1 37 35 GLN . 36733 1 38 36 ARG . 36733 1 39 37 LYS . 36733 1 40 38 GLN . 36733 1 41 39 ARG . 36733 1 42 40 ASP . 36733 1 43 41 SER . 36733 1 44 42 GLU . 36733 1 45 43 ILE . 36733 1 46 44 MET . 36733 1 47 45 GLN . 36733 1 48 46 GLU . 36733 1 49 47 LYS . 36733 1 50 48 GLN . 36733 1 51 49 LYS . 36733 1 52 50 ALA . 36733 1 53 51 ALA . 36733 1 54 52 ASN . 36733 1 55 53 GLU . 36733 1 56 54 LYS . 36733 1 57 55 LYS . 36733 1 58 56 SER . 36733 1 59 57 MET . 36733 1 60 58 GLN . 36733 1 61 59 THR . 36733 1 62 60 ARG . 36733 1 63 61 GLU . 36733 1 64 62 LYS . 36733 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 36733 1 . SER 2 2 36733 1 . MET 3 3 36733 1 . ALA 4 4 36733 1 . ARG 5 5 36733 1 . GLY 6 6 36733 1 . ASN 7 7 36733 1 . GLN 8 8 36733 1 . ARG 9 9 36733 1 . GLU 10 10 36733 1 . LEU 11 11 36733 1 . ALA 12 12 36733 1 . ARG 13 13 36733 1 . GLN 14 14 36733 1 . LYS 15 15 36733 1 . ASN 16 16 36733 1 . MET 17 17 36733 1 . LYS 18 18 36733 1 . LYS 19 19 36733 1 . THR 20 20 36733 1 . GLN 21 21 36733 1 . GLU 22 22 36733 1 . ILE 23 23 36733 1 . SER 24 24 36733 1 . LYS 25 25 36733 1 . GLY 26 26 36733 1 . LYS 27 27 36733 1 . ARG 28 28 36733 1 . LYS 29 29 36733 1 . GLU 30 30 36733 1 . ASP 31 31 36733 1 . SER 32 32 36733 1 . LEU 33 33 36733 1 . THR 34 34 36733 1 . ALA 35 35 36733 1 . SER 36 36 36733 1 . GLN 37 37 36733 1 . ARG 38 38 36733 1 . LYS 39 39 36733 1 . GLN 40 40 36733 1 . ARG 41 41 36733 1 . ASP 42 42 36733 1 . SER 43 43 36733 1 . GLU 44 44 36733 1 . ILE 45 45 36733 1 . MET 46 46 36733 1 . GLN 47 47 36733 1 . GLU 48 48 36733 1 . LYS 49 49 36733 1 . GLN 50 50 36733 1 . LYS 51 51 36733 1 . ALA 52 52 36733 1 . ALA 53 53 36733 1 . ASN 54 54 36733 1 . GLU 55 55 36733 1 . LYS 56 56 36733 1 . LYS 57 57 36733 1 . SER 58 58 36733 1 . MET 59 59 36733 1 . GLN 60 60 36733 1 . THR 61 61 36733 1 . ARG 62 62 36733 1 . GLU 63 63 36733 1 . LYS 64 64 36733 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 36733 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . . Metazoa Homo sapiens . . . . . . . . . . . 'SERF1A, FAM2A, SERF1, SMAM1, SERF1B, FAM2B, SERF1, SMAM1' . 36733 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 36733 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36733 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] serf1a, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 serf1a '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36733 1 2 NaN3 'natural abundance' . . . . . cytocide 0.02 . . % . . . . 36733 1 3 NaCl 'natural abundance' . . . . . salt 20 . . mM . . . . 36733 1 4 NaPi 'natural abundance' . . . . . buffer 20 . . mM . . . . 36733 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36733 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36733 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 36733 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 36733 1 pH 6.8 . pH 36733 1 pressure 1 . atm 36733 1 temperature 298 . K 36733 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36733 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36733 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36733 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36733 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36733 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36733 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36733 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36733 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 36733 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36733 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 4 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 5 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 6 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 7 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36733 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36733 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36733 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36733 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36733 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36733 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36733 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36733 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36733 1 4 '3D HNCACB' 1 $sample_1 isotropic 36733 1 5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36733 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36733 1 7 '3D HNCO' 1 $sample_1 isotropic 36733 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET HA H 1 4.607 0.04 . 1 . . . . A 1 MET HA . 36733 1 2 . 1 . 1 3 3 MET HG2 H 1 2.606 0.04 . 2 . . . . A 1 MET HG2 . 36733 1 3 . 1 . 1 3 3 MET HG3 H 1 2.606 0.04 . 2 . . . . A 1 MET HG3 . 36733 1 4 . 1 . 1 3 3 MET C C 13 175.53 0.20 . 1 . . . . A 1 MET C . 36733 1 5 . 1 . 1 3 3 MET CA C 13 55.24 0.20 . 1 . . . . A 1 MET CA . 36733 1 6 . 1 . 1 3 3 MET CB C 13 32.79 0.20 . 1 . . . . A 1 MET CB . 36733 1 7 . 1 . 1 4 4 ALA H H 1 8.326 0.04 . 1 . . . . A 2 ALA H . 36733 1 8 . 1 . 1 4 4 ALA HA H 1 4.299 0.04 . 1 . . . . A 2 ALA HA . 36733 1 9 . 1 . 1 4 4 ALA HB1 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB1 . 36733 1 10 . 1 . 1 4 4 ALA HB2 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB2 . 36733 1 11 . 1 . 1 4 4 ALA HB3 H 1 1.395 0.04 . 1 . . . . A 2 ALA HB3 . 36733 1 12 . 1 . 1 4 4 ALA C C 13 177.51 0.20 . 1 . . . . A 2 ALA C . 36733 1 13 . 1 . 1 4 4 ALA CA C 13 52.42 0.20 . 1 . . . . A 2 ALA CA . 36733 1 14 . 1 . 1 4 4 ALA CB C 13 18.88 0.20 . 1 . . . . A 2 ALA CB . 36733 1 15 . 1 . 1 4 4 ALA N N 15 125.479 0.20 . 1 . . . . A 2 ALA N . 36733 1 16 . 1 . 1 5 5 ARG HB2 H 1 1.815 0.04 . 2 . . . . A 3 ARG HB2 . 36733 1 17 . 1 . 1 5 5 ARG HB3 H 1 1.815 0.04 . 2 . . . . A 3 ARG HB3 . 36733 1 18 . 1 . 1 5 5 ARG HD2 H 1 3.196 0.04 . 2 . . . . A 3 ARG HD2 . 36733 1 19 . 1 . 1 5 5 ARG HD3 H 1 3.196 0.04 . 2 . . . . A 3 ARG HD3 . 36733 1 20 . 1 . 1 5 5 ARG HG2 H 1 1.753 0.04 . 2 . . . . A 3 ARG HG2 . 36733 1 21 . 1 . 1 5 5 ARG HG3 H 1 1.753 0.04 . 2 . . . . A 3 ARG HG3 . 36733 1 22 . 1 . 1 5 5 ARG C C 13 176.87 0.20 . 1 . . . . A 3 ARG C . 36733 1 23 . 1 . 1 5 5 ARG CA C 13 56.13 0.20 . 1 . . . . A 3 ARG CA . 36733 1 24 . 1 . 1 5 5 ARG CB C 13 30.73 0.20 . 1 . . . . A 3 ARG CB . 36733 1 25 . 1 . 1 5 5 ARG N N 15 120.389 0.20 . 1 . . . . A 3 ARG N . 36733 1 26 . 1 . 1 6 6 GLY H H 1 8.422 0.04 . 1 . . . . A 4 GLY H . 36733 1 27 . 1 . 1 6 6 GLY HA2 H 1 3.951 0.04 . 2 . . . . A 4 GLY HA2 . 36733 1 28 . 1 . 1 6 6 GLY HA3 H 1 3.951 0.04 . 2 . . . . A 4 GLY HA3 . 36733 1 29 . 1 . 1 6 6 GLY C C 13 173.9 0.20 . 1 . . . . A 4 GLY C . 36733 1 30 . 1 . 1 6 6 GLY CA C 13 45.22 0.20 . 1 . . . . A 4 GLY CA . 36733 1 31 . 1 . 1 6 6 GLY N N 15 109.627 0.20 . 1 . . . . A 4 GLY N . 36733 1 32 . 1 . 1 7 7 ASN H H 1 8.36 0.04 . 1 . . . . A 5 ASN H . 36733 1 33 . 1 . 1 7 7 ASN HA H 1 4.518 0.04 . 1 . . . . A 5 ASN HA . 36733 1 34 . 1 . 1 7 7 ASN HB2 H 1 2.771 0.04 . 2 . . . . A 5 ASN HB2 . 36733 1 35 . 1 . 1 7 7 ASN HB3 H 1 2.771 0.04 . 2 . . . . A 5 ASN HB3 . 36733 1 36 . 1 . 1 7 7 ASN C C 13 175.53 0.20 . 1 . . . . A 5 ASN C . 36733 1 37 . 1 . 1 7 7 ASN CA C 13 53.39 0.20 . 1 . . . . A 5 ASN CA . 36733 1 38 . 1 . 1 7 7 ASN CB C 13 38.69 0.20 . 1 . . . . A 5 ASN CB . 36733 1 39 . 1 . 1 7 7 ASN N N 15 118.876 0.20 . 1 . . . . A 5 ASN N . 36733 1 40 . 1 . 1 8 8 GLN H H 1 8.489 0.04 . 1 . . . . A 6 GLN H . 36733 1 41 . 1 . 1 8 8 GLN HA H 1 4.19 0.04 . 1 . . . . A 6 GLN HA . 36733 1 42 . 1 . 1 8 8 GLN HB2 H 1 2.09 0.04 . 2 . . . . A 6 GLN HB2 . 36733 1 43 . 1 . 1 8 8 GLN HB3 H 1 2.09 0.04 . 2 . . . . A 6 GLN HB3 . 36733 1 44 . 1 . 1 8 8 GLN HG2 H 1 2.4 0.04 . 2 . . . . A 6 GLN HG2 . 36733 1 45 . 1 . 1 8 8 GLN HG3 H 1 2.4 0.04 . 2 . . . . A 6 GLN HG3 . 36733 1 46 . 1 . 1 8 8 GLN C C 13 177.01 0.20 . 1 . . . . A 6 GLN C . 36733 1 47 . 1 . 1 8 8 GLN CA C 13 56.98 0.20 . 1 . . . . A 6 GLN CA . 36733 1 48 . 1 . 1 8 8 GLN CB C 13 28.8 0.20 . 1 . . . . A 6 GLN CB . 36733 1 49 . 1 . 1 8 8 GLN N N 15 120.847 0.20 . 1 . . . . A 6 GLN N . 36733 1 50 . 1 . 1 9 9 ARG H H 1 8.337 0.04 . 1 . . . . A 7 ARG H . 36733 1 51 . 1 . 1 9 9 ARG HA H 1 4.376 0.20 . 1 . . . . A 7 ARG HA . 36733 1 52 . 1 . 1 9 9 ARG HD2 H 1 3.169 0.04 . 2 . . . . A 7 ARG HD2 . 36733 1 53 . 1 . 1 9 9 ARG HD3 H 1 3.169 0.04 . 2 . . . . A 7 ARG HD3 . 36733 1 54 . 1 . 1 9 9 ARG C C 13 177.4 0.20 . 1 . . . . A 7 ARG C . 36733 1 55 . 1 . 1 9 9 ARG CA C 13 56.98 0.20 . 1 . . . . A 7 ARG CA . 36733 1 56 . 1 . 1 9 9 ARG CB C 13 32.72 0.20 . 1 . . . . A 7 ARG CB . 36733 1 57 . 1 . 1 9 9 ARG N N 15 121.432 0.20 . 1 . . . . A 7 ARG N . 36733 1 58 . 1 . 1 10 10 GLU H H 1 8.32 0.04 . 1 . . . . A 8 GLU H . 36733 1 59 . 1 . 1 10 10 GLU HA H 1 4.147 0.04 . 1 . . . . A 8 GLU HA . 36733 1 60 . 1 . 1 10 10 GLU HB2 H 1 2.068 0.04 . 2 . . . . A 8 GLU HB2 . 36733 1 61 . 1 . 1 10 10 GLU HB3 H 1 2.068 0.04 . 2 . . . . A 8 GLU HB3 . 36733 1 62 . 1 . 1 10 10 GLU HG2 H 1 2.33 0.04 . 2 . . . . A 8 GLU HG2 . 36733 1 63 . 1 . 1 10 10 GLU HG3 H 1 2.33 0.04 . 2 . . . . A 8 GLU HG3 . 36733 1 64 . 1 . 1 10 10 GLU C C 13 177.59 0.20 . 1 . . . . A 8 GLU C . 36733 1 65 . 1 . 1 10 10 GLU CA C 13 57 0.20 . 1 . . . . A 8 GLU CA . 36733 1 66 . 1 . 1 10 10 GLU CB C 13 29.85 0.20 . 1 . . . . A 8 GLU CB . 36733 1 67 . 1 . 1 10 10 GLU N N 15 121.625 0.20 . 1 . . . . A 8 GLU N . 36733 1 68 . 1 . 1 11 11 LEU H H 1 8.164 0.04 . 1 . . . . A 9 LEU H . 36733 1 69 . 1 . 1 11 11 LEU HA H 1 4.206 0.04 . 1 . . . . A 9 LEU HA . 36733 1 70 . 1 . 1 11 11 LEU HB2 H 1 1.656 0.04 . 2 . . . . A 9 LEU HB2 . 36733 1 71 . 1 . 1 11 11 LEU HB3 H 1 1.656 0.04 . 2 . . . . A 9 LEU HB3 . 36733 1 72 . 1 . 1 11 11 LEU HD11 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD11 . 36733 1 73 . 1 . 1 11 11 LEU HD12 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD12 . 36733 1 74 . 1 . 1 11 11 LEU HD13 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD13 . 36733 1 75 . 1 . 1 11 11 LEU HD21 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD21 . 36733 1 76 . 1 . 1 11 11 LEU HD22 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD22 . 36733 1 77 . 1 . 1 11 11 LEU HD23 H 1 0.919 0.04 . 2 . . . . A 9 LEU HD23 . 36733 1 78 . 1 . 1 11 11 LEU C C 13 178.3 0.20 . 1 . . . . A 9 LEU C . 36733 1 79 . 1 . 1 11 11 LEU CA C 13 55.94 0.20 . 1 . . . . A 9 LEU CA . 36733 1 80 . 1 . 1 11 11 LEU CB C 13 41.91 0.20 . 1 . . . . A 9 LEU CB . 36733 1 81 . 1 . 1 11 11 LEU N N 15 122.515 0.20 . 1 . . . . A 9 LEU N . 36733 1 82 . 1 . 1 12 12 ALA H H 1 8.105 0.04 . 1 . . . . A 10 ALA H . 36733 1 83 . 1 . 1 12 12 ALA HA H 1 4.22 0.04 . 1 . . . . A 10 ALA HA . 36733 1 84 . 1 . 1 12 12 ALA HB1 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB1 . 36733 1 85 . 1 . 1 12 12 ALA HB2 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB2 . 36733 1 86 . 1 . 1 12 12 ALA HB3 H 1 1.418 0.04 . 1 . . . . A 10 ALA HB3 . 36733 1 87 . 1 . 1 12 12 ALA C C 13 178.67 0.20 . 1 . . . . A 10 ALA C . 36733 1 88 . 1 . 1 12 12 ALA CA C 13 53.4 0.20 . 1 . . . . A 10 ALA CA . 36733 1 89 . 1 . 1 12 12 ALA CB C 13 18.78 0.20 . 1 . . . . A 10 ALA CB . 36733 1 90 . 1 . 1 12 12 ALA N N 15 123.249 0.20 . 1 . . . . A 10 ALA N . 36733 1 91 . 1 . 1 13 13 ARG H H 1 8.054 0.04 . 1 . . . . A 11 ARG H . 36733 1 92 . 1 . 1 13 13 ARG HA H 1 4.223 0.04 . 1 . . . . A 11 ARG HA . 36733 1 93 . 1 . 1 13 13 ARG HB2 H 1 1.86 0.04 . 2 . . . . A 11 ARG HB2 . 36733 1 94 . 1 . 1 13 13 ARG HB3 H 1 1.86 0.04 . 2 . . . . A 11 ARG HB3 . 36733 1 95 . 1 . 1 13 13 ARG HD2 H 1 2.439 0.04 . 2 . . . . A 11 ARG HD2 . 36733 1 96 . 1 . 1 13 13 ARG HD3 H 1 2.439 0.04 . 2 . . . . A 11 ARG HD3 . 36733 1 97 . 1 . 1 13 13 ARG C C 13 177.42 0.20 . 1 . . . . A 11 ARG C . 36733 1 98 . 1 . 1 13 13 ARG CA C 13 56.96 0.20 . 1 . . . . A 11 ARG CA . 36733 1 99 . 1 . 1 13 13 ARG CB C 13 30.49 0.20 . 1 . . . . A 11 ARG CB . 36733 1 100 . 1 . 1 13 13 ARG N N 15 119.497 0.20 . 1 . . . . A 11 ARG N . 36733 1 101 . 1 . 1 14 14 GLN H H 1 8.211 0.04 . 1 . . . . A 12 GLN H . 36733 1 102 . 1 . 1 14 14 GLN HA H 1 4.219 0.04 . 1 . . . . A 12 GLN HA . 36733 1 103 . 1 . 1 14 14 GLN HB2 H 1 2.094 0.04 . 2 . . . . A 12 GLN HB2 . 36733 1 104 . 1 . 1 14 14 GLN HB3 H 1 2.094 0.04 . 2 . . . . A 12 GLN HB3 . 36733 1 105 . 1 . 1 14 14 GLN HG2 H 1 2.422 0.04 . 2 . . . . A 12 GLN HG2 . 36733 1 106 . 1 . 1 14 14 GLN HG3 H 1 2.422 0.04 . 2 . . . . A 12 GLN HG3 . 36733 1 107 . 1 . 1 14 14 GLN C C 13 177.1 0.20 . 1 . . . . A 12 GLN C . 36733 1 108 . 1 . 1 14 14 GLN CA C 13 57.15 0.20 . 1 . . . . A 12 GLN CA . 36733 1 109 . 1 . 1 14 14 GLN CB C 13 28.97 0.20 . 1 . . . . A 12 GLN CB . 36733 1 110 . 1 . 1 14 14 GLN N N 15 120.399 0.20 . 1 . . . . A 12 GLN N . 36733 1 111 . 1 . 1 15 15 LYS C C 13 177.02 0.20 . 1 . . . . A 13 LYS C . 36733 1 112 . 1 . 1 15 15 LYS CA C 13 56.96 0.20 . 1 . . . . A 13 LYS CA . 36733 1 113 . 1 . 1 15 15 LYS CB C 13 32.87 0.20 . 1 . . . . A 13 LYS CB . 36733 1 114 . 1 . 1 16 16 ASN H H 1 8.362 0.04 . 1 . . . . A 14 ASN H . 36733 1 115 . 1 . 1 16 16 ASN HA H 1 4.501 0.04 . 1 . . . . A 14 ASN HA . 36733 1 116 . 1 . 1 16 16 ASN HB2 H 1 2.813 0.04 . 2 . . . . A 14 ASN HB2 . 36733 1 117 . 1 . 1 16 16 ASN HB3 H 1 2.813 0.04 . 2 . . . . A 14 ASN HB3 . 36733 1 118 . 1 . 1 16 16 ASN C C 13 175.63 0.20 . 1 . . . . A 14 ASN C . 36733 1 119 . 1 . 1 16 16 ASN CA C 13 53.42 0.20 . 1 . . . . A 14 ASN CA . 36733 1 120 . 1 . 1 16 16 ASN CB C 13 38.72 0.20 . 1 . . . . A 14 ASN CB . 36733 1 121 . 1 . 1 16 16 ASN N N 15 118.943 0.20 . 1 . . . . A 14 ASN N . 36733 1 122 . 1 . 1 17 17 MET H H 1 8.231 0.04 . 1 . . . . A 15 MET H . 36733 1 123 . 1 . 1 17 17 MET HA H 1 4.4 0.04 . 1 . . . . A 15 MET HA . 36733 1 124 . 1 . 1 17 17 MET HG2 H 1 2.667 0.04 . 2 . . . . A 15 MET HG2 . 36733 1 125 . 1 . 1 17 17 MET HG3 H 1 2.667 0.04 . 2 . . . . A 15 MET HG3 . 36733 1 126 . 1 . 1 17 17 MET C C 13 176.47 0.20 . 1 . . . . A 15 MET C . 36733 1 127 . 1 . 1 17 17 MET CA C 13 55.76 0.20 . 1 . . . . A 15 MET CA . 36733 1 128 . 1 . 1 17 17 MET CB C 13 32.91 0.20 . 1 . . . . A 15 MET CB . 36733 1 129 . 1 . 1 17 17 MET N N 15 120.997 0.20 . 1 . . . . A 15 MET N . 36733 1 130 . 1 . 1 18 18 LYS H H 1 8.157 0.04 . 1 . . . . A 16 LYS H . 36733 1 131 . 1 . 1 18 18 LYS HA H 1 4.139 0.04 . 1 . . . . A 16 LYS HA . 36733 1 132 . 1 . 1 18 18 LYS HB2 H 1 1.841 0.04 . 2 . . . . A 16 LYS HB2 . 36733 1 133 . 1 . 1 18 18 LYS HB3 H 1 1.841 0.04 . 2 . . . . A 16 LYS HB3 . 36733 1 134 . 1 . 1 18 18 LYS C C 13 176.79 0.20 . 1 . . . . A 16 LYS C . 36733 1 135 . 1 . 1 18 18 LYS CA C 13 57.1 0.20 . 1 . . . . A 16 LYS CA . 36733 1 136 . 1 . 1 18 18 LYS CB C 13 32.78 0.20 . 1 . . . . A 16 LYS CB . 36733 1 137 . 1 . 1 18 18 LYS N N 15 121.933 0.20 . 1 . . . . A 16 LYS N . 36733 1 138 . 1 . 1 19 19 LYS H H 1 8.331 0.04 . 1 . . . . A 17 LYS H . 36733 1 139 . 1 . 1 19 19 LYS HA H 1 4.375 0.04 . 1 . . . . A 17 LYS HA . 36733 1 140 . 1 . 1 19 19 LYS HB2 H 1 1.834 0.04 . 2 . . . . A 17 LYS HB2 . 36733 1 141 . 1 . 1 19 19 LYS HB3 H 1 1.834 0.04 . 2 . . . . A 17 LYS HB3 . 36733 1 142 . 1 . 1 19 19 LYS C C 13 176.98 0.20 . 1 . . . . A 17 LYS C . 36733 1 143 . 1 . 1 19 19 LYS CA C 13 56.82 0.20 . 1 . . . . A 17 LYS CA . 36733 1 144 . 1 . 1 19 19 LYS CB C 13 32.71 0.20 . 1 . . . . A 17 LYS CB . 36733 1 145 . 1 . 1 19 19 LYS N N 15 122.848 0.20 . 1 . . . . A 17 LYS N . 36733 1 146 . 1 . 1 20 20 THR H H 1 8.193 0.04 . 1 . . . . A 18 THR H . 36733 1 147 . 1 . 1 20 20 THR HA H 1 4.299 0.04 . 1 . . . . A 18 THR HA . 36733 1 148 . 1 . 1 20 20 THR HG21 H 1 1.203 0.04 . 1 . . . . A 18 THR HG21 . 36733 1 149 . 1 . 1 20 20 THR HG22 H 1 1.203 0.04 . 1 . . . . A 18 THR HG22 . 36733 1 150 . 1 . 1 20 20 THR HG23 H 1 1.203 0.04 . 1 . . . . A 18 THR HG23 . 36733 1 151 . 1 . 1 20 20 THR C C 13 174.77 0.20 . 1 . . . . A 18 THR C . 36733 1 152 . 1 . 1 20 20 THR CA C 13 62.24 0.20 . 1 . . . . A 18 THR CA . 36733 1 153 . 1 . 1 20 20 THR CB C 13 69.71 0.20 . 1 . . . . A 18 THR CB . 36733 1 154 . 1 . 1 20 20 THR N N 15 115.955 0.20 . 1 . . . . A 18 THR N . 36733 1 155 . 1 . 1 21 21 GLN H H 1 8.414 0.04 . 1 . . . . A 19 GLN H . 36733 1 156 . 1 . 1 21 21 GLN HA H 1 4.323 0.04 . 1 . . . . A 19 GLN HA . 36733 1 157 . 1 . 1 21 21 GLN HB2 H 1 2.025 0.04 . 2 . . . . A 19 GLN HB2 . 36733 1 158 . 1 . 1 21 21 GLN HB3 H 1 2.025 0.04 . 2 . . . . A 19 GLN HB3 . 36733 1 159 . 1 . 1 21 21 GLN HG2 H 1 2.375 0.04 . 2 . . . . A 19 GLN HG2 . 36733 1 160 . 1 . 1 21 21 GLN HG3 H 1 2.375 0.04 . 2 . . . . A 19 GLN HG3 . 36733 1 161 . 1 . 1 21 21 GLN C C 13 176.02 0.20 . 1 . . . . A 19 GLN C . 36733 1 162 . 1 . 1 21 21 GLN CA C 13 56.16 0.20 . 1 . . . . A 19 GLN CA . 36733 1 163 . 1 . 1 21 21 GLN CB C 13 29.38 0.20 . 1 . . . . A 19 GLN CB . 36733 1 164 . 1 . 1 21 21 GLN N N 15 122.689 0.20 . 1 . . . . A 19 GLN N . 36733 1 165 . 1 . 1 22 22 GLU H H 1 8.437 0.04 . 1 . . . . A 20 GLU H . 36733 1 166 . 1 . 1 22 22 GLU HA H 1 4.288 0.04 . 1 . . . . A 20 GLU HA . 36733 1 167 . 1 . 1 22 22 GLU HB2 H 1 1.957 0.04 . 2 . . . . A 20 GLU HB2 . 36733 1 168 . 1 . 1 22 22 GLU HB3 H 1 1.957 0.04 . 2 . . . . A 20 GLU HB3 . 36733 1 169 . 1 . 1 22 22 GLU HG2 H 1 2.255 0.04 . 2 . . . . A 20 GLU HG2 . 36733 1 170 . 1 . 1 22 22 GLU HG3 H 1 2.255 0.04 . 2 . . . . A 20 GLU HG3 . 36733 1 171 . 1 . 1 22 22 GLU C C 13 176.77 0.20 . 1 . . . . A 20 GLU C . 36733 1 172 . 1 . 1 22 22 GLU CA C 13 56.69 0.20 . 1 . . . . A 20 GLU CA . 36733 1 173 . 1 . 1 22 22 GLU CB C 13 30.28 0.20 . 1 . . . . A 20 GLU CB . 36733 1 174 . 1 . 1 22 22 GLU N N 15 123.014 0.20 . 1 . . . . A 20 GLU N . 36733 1 175 . 1 . 1 23 23 ILE H H 1 8.284 0.04 . 1 . . . . A 21 ILE H . 36733 1 176 . 1 . 1 23 23 ILE HA H 1 4.154 0.04 . 1 . . . . A 21 ILE HA . 36733 1 177 . 1 . 1 23 23 ILE HB H 1 1.869 0.04 . 1 . . . . A 21 ILE HB . 36733 1 178 . 1 . 1 23 23 ILE HD11 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD11 . 36733 1 179 . 1 . 1 23 23 ILE HD12 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD12 . 36733 1 180 . 1 . 1 23 23 ILE HD13 H 1 0.914 0.04 . 1 . . . . A 21 ILE HD13 . 36733 1 181 . 1 . 1 23 23 ILE HG21 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG21 . 36733 1 182 . 1 . 1 23 23 ILE HG22 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG22 . 36733 1 183 . 1 . 1 23 23 ILE HG23 H 1 1.525 0.04 . 1 . . . . A 21 ILE HG23 . 36733 1 184 . 1 . 1 23 23 ILE C C 13 176.5 0.20 . 1 . . . . A 21 ILE C . 36733 1 185 . 1 . 1 23 23 ILE CA C 13 61.34 0.20 . 1 . . . . A 21 ILE CA . 36733 1 186 . 1 . 1 23 23 ILE CB C 13 38.55 0.20 . 1 . . . . A 21 ILE CB . 36733 1 187 . 1 . 1 23 23 ILE N N 15 122.555 0.20 . 1 . . . . A 21 ILE N . 36733 1 188 . 1 . 1 24 24 SER H H 1 8.393 0.04 . 1 . . . . A 22 SER H . 36733 1 189 . 1 . 1 24 24 SER HA H 1 4.431 0.04 . 1 . . . . A 22 SER HA . 36733 1 190 . 1 . 1 24 24 SER HB2 H 1 3.86 0.04 . 2 . . . . A 22 SER HB2 . 36733 1 191 . 1 . 1 24 24 SER HB3 H 1 3.86 0.04 . 2 . . . . A 22 SER HB3 . 36733 1 192 . 1 . 1 24 24 SER C C 13 174.71 0.20 . 1 . . . . A 22 SER C . 36733 1 193 . 1 . 1 24 24 SER CA C 13 58.64 0.20 . 1 . . . . A 22 SER CA . 36733 1 194 . 1 . 1 24 24 SER CB C 13 63.64 0.20 . 1 . . . . A 22 SER CB . 36733 1 195 . 1 . 1 24 24 SER N N 15 119.873 0.20 . 1 . . . . A 22 SER N . 36733 1 196 . 1 . 1 25 25 LYS H H 1 8.406 0.04 . 1 . . . . A 23 LYS H . 36733 1 197 . 1 . 1 25 25 LYS C C 13 177.1 0.20 . 1 . . . . A 23 LYS C . 36733 1 198 . 1 . 1 25 25 LYS CA C 13 56.64 0.20 . 1 . . . . A 23 LYS CA . 36733 1 199 . 1 . 1 25 25 LYS CB C 13 32.84 0.20 . 1 . . . . A 23 LYS CB . 36733 1 200 . 1 . 1 25 25 LYS N N 15 123.835 0.20 . 1 . . . . A 23 LYS N . 36733 1 201 . 1 . 1 26 26 GLY H H 1 8.398 0.04 . 1 . . . . A 24 GLY H . 36733 1 202 . 1 . 1 26 26 GLY HA2 H 1 3.939 0.04 . 2 . . . . A 24 GLY HA2 . 36733 1 203 . 1 . 1 26 26 GLY HA3 H 1 3.939 0.04 . 2 . . . . A 24 GLY HA3 . 36733 1 204 . 1 . 1 26 26 GLY C C 13 173.84 0.20 . 1 . . . . A 24 GLY C . 36733 1 205 . 1 . 1 26 26 GLY CA C 13 45.15 0.20 . 1 . . . . A 24 GLY CA . 36733 1 206 . 1 . 1 26 26 GLY N N 15 109.666 0.20 . 1 . . . . A 24 GLY N . 36733 1 207 . 1 . 1 27 27 LYS H H 1 8.207 0.04 . 1 . . . . A 25 LYS H . 36733 1 208 . 1 . 1 27 27 LYS HA H 1 4.416 0.04 . 1 . . . . A 25 LYS HA . 36733 1 209 . 1 . 1 27 27 LYS C C 13 176.46 0.20 . 1 . . . . A 25 LYS C . 36733 1 210 . 1 . 1 27 27 LYS CA C 13 56.23 0.20 . 1 . . . . A 25 LYS CA . 36733 1 211 . 1 . 1 27 27 LYS CB C 13 32.91 0.20 . 1 . . . . A 25 LYS CB . 36733 1 212 . 1 . 1 27 27 LYS N N 15 121.2 0.20 . 1 . . . . A 25 LYS N . 36733 1 213 . 1 . 1 28 28 ARG H H 1 8.447 0.04 . 1 . . . . A 26 ARG H . 36733 1 214 . 1 . 1 28 28 ARG HA H 1 4.287 0.04 . 1 . . . . A 26 ARG HA . 36733 1 215 . 1 . 1 28 28 ARG HB2 H 1 1.798 0.04 . 2 . . . . A 26 ARG HB2 . 36733 1 216 . 1 . 1 28 28 ARG HB3 H 1 1.798 0.04 . 2 . . . . A 26 ARG HB3 . 36733 1 217 . 1 . 1 28 28 ARG HD2 H 1 3.195 0.04 . 2 . . . . A 26 ARG HD2 . 36733 1 218 . 1 . 1 28 28 ARG HD3 H 1 3.195 0.04 . 2 . . . . A 26 ARG HD3 . 36733 1 219 . 1 . 1 28 28 ARG HG2 H 1 1.646 0.04 . 2 . . . . A 26 ARG HG2 . 36733 1 220 . 1 . 1 28 28 ARG HG3 H 1 1.646 0.04 . 2 . . . . A 26 ARG HG3 . 36733 1 221 . 1 . 1 28 28 ARG C C 13 176.5 0.20 . 1 . . . . A 26 ARG C . 36733 1 222 . 1 . 1 28 28 ARG CA C 13 55.99 0.20 . 1 . . . . A 26 ARG CA . 36733 1 223 . 1 . 1 28 28 ARG CB C 13 30.44 0.20 . 1 . . . . A 26 ARG CB . 36733 1 224 . 1 . 1 28 28 ARG N N 15 123.062 0.20 . 1 . . . . A 26 ARG N . 36733 1 225 . 1 . 1 29 29 LYS H H 1 8.556 0.04 . 1 . . . . A 27 LYS H . 36733 1 226 . 1 . 1 29 29 LYS C C 13 176.93 0.20 . 1 . . . . A 27 LYS C . 36733 1 227 . 1 . 1 29 29 LYS CA C 13 56.9 0.20 . 1 . . . . A 27 LYS CA . 36733 1 228 . 1 . 1 29 29 LYS CB C 13 32.79 0.20 . 1 . . . . A 27 LYS CB . 36733 1 229 . 1 . 1 29 29 LYS N N 15 124.229 0.20 . 1 . . . . A 27 LYS N . 36733 1 230 . 1 . 1 30 30 GLU H H 1 8.726 0.04 . 1 . . . . A 28 GLU H . 36733 1 231 . 1 . 1 30 30 GLU HA H 1 4.266 0.04 . 1 . . . . A 28 GLU HA . 36733 1 232 . 1 . 1 30 30 GLU HB2 H 1 1.98 0.04 . 2 . . . . A 28 GLU HB2 . 36733 1 233 . 1 . 1 30 30 GLU HB3 H 1 1.98 0.04 . 2 . . . . A 28 GLU HB3 . 36733 1 234 . 1 . 1 30 30 GLU HG2 H 1 2.294 0.04 . 2 . . . . A 28 GLU HG2 . 36733 1 235 . 1 . 1 30 30 GLU HG3 H 1 2.294 0.04 . 2 . . . . A 28 GLU HG3 . 36733 1 236 . 1 . 1 30 30 GLU C C 13 176.37 0.20 . 1 . . . . A 28 GLU C . 36733 1 237 . 1 . 1 30 30 GLU CA C 13 56.97 0.20 . 1 . . . . A 28 GLU CA . 36733 1 238 . 1 . 1 30 30 GLU CB C 13 29.94 0.20 . 1 . . . . A 28 GLU CB . 36733 1 239 . 1 . 1 30 30 GLU N N 15 122.515 0.20 . 1 . . . . A 28 GLU N . 36733 1 240 . 1 . 1 31 31 ASP H H 1 8.298 0.04 . 1 . . . . A 29 ASP H . 36733 1 241 . 1 . 1 31 31 ASP HA H 1 4.608 0.04 . 1 . . . . A 29 ASP HA . 36733 1 242 . 1 . 1 31 31 ASP HB2 H 1 2.686 0.04 . 2 . . . . A 29 ASP HB2 . 36733 1 243 . 1 . 1 31 31 ASP HB3 H 1 2.686 0.04 . 2 . . . . A 29 ASP HB3 . 36733 1 244 . 1 . 1 31 31 ASP C C 13 176.41 0.20 . 1 . . . . A 29 ASP C . 36733 1 245 . 1 . 1 31 31 ASP CA C 13 54.61 0.20 . 1 . . . . A 29 ASP CA . 36733 1 246 . 1 . 1 31 31 ASP CB C 13 41.11 0.20 . 1 . . . . A 29 ASP CB . 36733 1 247 . 1 . 1 31 31 ASP N N 15 121.585 0.20 . 1 . . . . A 29 ASP N . 36733 1 248 . 1 . 1 32 32 SER H H 1 8.268 0.04 . 1 . . . . A 30 SER H . 36733 1 249 . 1 . 1 32 32 SER HA H 1 4.413 0.04 . 1 . . . . A 30 SER HA . 36733 1 250 . 1 . 1 32 32 SER HB2 H 1 3.899 0.04 . 2 . . . . A 30 SER HB2 . 36733 1 251 . 1 . 1 32 32 SER HB3 H 1 3.899 0.04 . 2 . . . . A 30 SER HB3 . 36733 1 252 . 1 . 1 32 32 SER C C 13 174.76 0.20 . 1 . . . . A 30 SER C . 36733 1 253 . 1 . 1 32 32 SER CA C 13 58.69 0.20 . 1 . . . . A 30 SER CA . 36733 1 254 . 1 . 1 32 32 SER CB C 13 63.54 0.20 . 1 . . . . A 30 SER CB . 36733 1 255 . 1 . 1 32 32 SER N N 15 116.148 0.20 . 1 . . . . A 30 SER N . 36733 1 256 . 1 . 1 33 33 LEU H H 1 8.183 0.04 . 1 . . . . A 31 LEU H . 36733 1 257 . 1 . 1 33 33 LEU HA H 1 4.455 0.04 . 1 . . . . A 31 LEU HA . 36733 1 258 . 1 . 1 33 33 LEU HB2 H 1 1.676 0.04 . 2 . . . . A 31 LEU HB2 . 36733 1 259 . 1 . 1 33 33 LEU HB3 H 1 1.676 0.04 . 2 . . . . A 31 LEU HB3 . 36733 1 260 . 1 . 1 33 33 LEU C C 13 178.28 0.20 . 1 . . . . A 31 LEU C . 36733 1 261 . 1 . 1 33 33 LEU CA C 13 55.76 0.20 . 1 . . . . A 31 LEU CA . 36733 1 262 . 1 . 1 33 33 LEU CB C 13 42.31 0.20 . 1 . . . . A 31 LEU CB . 36733 1 263 . 1 . 1 33 33 LEU N N 15 123.788 0.20 . 1 . . . . A 31 LEU N . 36733 1 264 . 1 . 1 34 34 THR H H 1 8.293 0.04 . 1 . . . . A 32 THR H . 36733 1 265 . 1 . 1 34 34 THR HA H 1 4.278 0.04 . 1 . . . . A 32 THR HA . 36733 1 266 . 1 . 1 34 34 THR HG21 H 1 1.274 0.04 . 1 . . . . A 32 THR HG21 . 36733 1 267 . 1 . 1 34 34 THR HG22 H 1 1.274 0.04 . 1 . . . . A 32 THR HG22 . 36733 1 268 . 1 . 1 34 34 THR HG23 H 1 1.274 0.04 . 1 . . . . A 32 THR HG23 . 36733 1 269 . 1 . 1 34 34 THR C C 13 175.41 0.20 . 1 . . . . A 32 THR C . 36733 1 270 . 1 . 1 34 34 THR CA C 13 62.24 0.20 . 1 . . . . A 32 THR CA . 36733 1 271 . 1 . 1 34 34 THR CB C 13 69.85 0.20 . 1 . . . . A 32 THR CB . 36733 1 272 . 1 . 1 34 34 THR N N 15 114.203 0.20 . 1 . . . . A 32 THR N . 36733 1 273 . 1 . 1 35 35 ALA H H 1 8.516 0.04 . 1 . . . . A 33 ALA H . 36733 1 274 . 1 . 1 35 35 ALA HA H 1 4.175 0.04 . 1 . . . . A 33 ALA HA . 36733 1 275 . 1 . 1 35 35 ALA HB1 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB1 . 36733 1 276 . 1 . 1 35 35 ALA HB2 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB2 . 36733 1 277 . 1 . 1 35 35 ALA HB3 H 1 1.469 0.04 . 1 . . . . A 33 ALA HB3 . 36733 1 278 . 1 . 1 35 35 ALA C C 13 179.89 0.20 . 1 . . . . A 33 ALA C . 36733 1 279 . 1 . 1 35 35 ALA CA C 13 54.59 0.20 . 1 . . . . A 33 ALA CA . 36733 1 280 . 1 . 1 35 35 ALA CB C 13 18.34 0.20 . 1 . . . . A 33 ALA CB . 36733 1 281 . 1 . 1 35 35 ALA N N 15 124.821 0.20 . 1 . . . . A 33 ALA N . 36733 1 282 . 1 . 1 36 36 SER H H 1 8.342 0.04 . 1 . . . . A 34 SER H . 36733 1 283 . 1 . 1 36 36 SER HA H 1 3.89 0.04 . 1 . . . . A 34 SER HA . 36733 1 284 . 1 . 1 36 36 SER C C 13 176.48 0.20 . 1 . . . . A 34 SER C . 36733 1 285 . 1 . 1 36 36 SER CA C 13 60.14 0.20 . 1 . . . . A 34 SER CA . 36733 1 286 . 1 . 1 36 36 SER CB C 13 62.88 0.20 . 1 . . . . A 34 SER CB . 36733 1 287 . 1 . 1 36 36 SER N N 15 113.867 0.20 . 1 . . . . A 34 SER N . 36733 1 288 . 1 . 1 37 37 GLN H H 1 8.02 0.04 . 1 . . . . A 35 GLN H . 36733 1 289 . 1 . 1 37 37 GLN HA H 1 4.219 0.04 . 1 . . . . A 35 GLN HA . 36733 1 290 . 1 . 1 37 37 GLN HB2 H 1 2.171 0.04 . 2 . . . . A 35 GLN HB2 . 36733 1 291 . 1 . 1 37 37 GLN HB3 H 1 2.171 0.04 . 2 . . . . A 35 GLN HB3 . 36733 1 292 . 1 . 1 37 37 GLN HG2 H 1 2.414 0.04 . 2 . . . . A 35 GLN HG2 . 36733 1 293 . 1 . 1 37 37 GLN HG3 H 1 2.414 0.04 . 2 . . . . A 35 GLN HG3 . 36733 1 294 . 1 . 1 37 37 GLN C C 13 177.96 0.20 . 1 . . . . A 35 GLN C . 36733 1 295 . 1 . 1 37 37 GLN CA C 13 57.35 0.20 . 1 . . . . A 35 GLN CA . 36733 1 296 . 1 . 1 37 37 GLN CB C 13 28.99 0.20 . 1 . . . . A 35 GLN CB . 36733 1 297 . 1 . 1 37 37 GLN N N 15 122.282 0.20 . 1 . . . . A 35 GLN N . 36733 1 298 . 1 . 1 38 38 ARG H H 1 8.353 0.04 . 1 . . . . A 36 ARG H . 36733 1 299 . 1 . 1 38 38 ARG HA H 1 4.138 0.04 . 1 . . . . A 36 ARG HA . 36733 1 300 . 1 . 1 38 38 ARG HB2 H 1 1.848 0.04 . 2 . . . . A 36 ARG HB2 . 36733 1 301 . 1 . 1 38 38 ARG HB3 H 1 1.848 0.04 . 2 . . . . A 36 ARG HB3 . 36733 1 302 . 1 . 1 38 38 ARG HD2 H 1 3.231 0.04 . 2 . . . . A 36 ARG HD2 . 36733 1 303 . 1 . 1 38 38 ARG HD3 H 1 3.231 0.04 . 2 . . . . A 36 ARG HD3 . 36733 1 304 . 1 . 1 38 38 ARG HG2 H 1 1.645 0.04 . 2 . . . . A 36 ARG HG2 . 36733 1 305 . 1 . 1 38 38 ARG HG3 H 1 1.645 0.04 . 2 . . . . A 36 ARG HG3 . 36733 1 306 . 1 . 1 38 38 ARG C C 13 177.21 0.20 . 1 . . . . A 36 ARG C . 36733 1 307 . 1 . 1 38 38 ARG CA C 13 57.87 0.20 . 1 . . . . A 36 ARG CA . 36733 1 308 . 1 . 1 38 38 ARG CB C 13 30.09 0.20 . 1 . . . . A 36 ARG CB . 36733 1 309 . 1 . 1 38 38 ARG N N 15 121.453 0.20 . 1 . . . . A 36 ARG N . 36733 1 310 . 1 . 1 39 39 LYS H H 1 8.092 0.04 . 1 . . . . A 37 LYS H . 36733 1 311 . 1 . 1 39 39 LYS HA H 1 4.202 0.04 . 1 . . . . A 37 LYS HA . 36733 1 312 . 1 . 1 39 39 LYS HD2 H 1 1.439 0.04 . 1 . . . . A 37 LYS HD2 . 36733 1 313 . 1 . 1 39 39 LYS C C 13 178.38 0.20 . 1 . . . . A 37 LYS C . 36733 1 314 . 1 . 1 39 39 LYS CA C 13 57.85 0.20 . 1 . . . . A 37 LYS CA . 36733 1 315 . 1 . 1 39 39 LYS CB C 13 32.62 0.20 . 1 . . . . A 37 LYS CB . 36733 1 316 . 1 . 1 39 39 LYS N N 15 120.967 0.20 . 1 . . . . A 37 LYS N . 36733 1 317 . 1 . 1 40 40 GLN H H 1 8.133 0.04 . 1 . . . . A 38 GLN H . 36733 1 318 . 1 . 1 40 40 GLN HA H 1 4.202 0.04 . 1 . . . . A 38 GLN HA . 36733 1 319 . 1 . 1 40 40 GLN HB2 H 1 2.106 0.04 . 2 . . . . A 38 GLN HB2 . 36733 1 320 . 1 . 1 40 40 GLN HB3 H 1 2.106 0.04 . 2 . . . . A 38 GLN HB3 . 36733 1 321 . 1 . 1 40 40 GLN HG2 H 1 2.403 0.04 . 2 . . . . A 38 GLN HG2 . 36733 1 322 . 1 . 1 40 40 GLN HG3 H 1 2.403 0.04 . 2 . . . . A 38 GLN HG3 . 36733 1 323 . 1 . 1 40 40 GLN C C 13 177.42 0.20 . 1 . . . . A 38 GLN C . 36733 1 324 . 1 . 1 40 40 GLN CA C 13 57.48 0.20 . 1 . . . . A 38 GLN CA . 36733 1 325 . 1 . 1 40 40 GLN CB C 13 29.03 0.20 . 1 . . . . A 38 GLN CB . 36733 1 326 . 1 . 1 40 40 GLN N N 15 120.831 0.20 . 1 . . . . A 38 GLN N . 36733 1 327 . 1 . 1 41 41 ARG H H 1 8.306 0.04 . 1 . . . . A 39 ARG H . 36733 1 328 . 1 . 1 41 41 ARG HA H 1 4.215 0.04 . 1 . . . . A 39 ARG HA . 36733 1 329 . 1 . 1 41 41 ARG HB2 H 1 1.906 0.04 . 2 . . . . A 39 ARG HB2 . 36733 1 330 . 1 . 1 41 41 ARG HB3 H 1 1.906 0.04 . 2 . . . . A 39 ARG HB3 . 36733 1 331 . 1 . 1 41 41 ARG HD2 H 1 3.244 0.04 . 2 . . . . A 39 ARG HD2 . 36733 1 332 . 1 . 1 41 41 ARG HD3 H 1 3.244 0.04 . 2 . . . . A 39 ARG HD3 . 36733 1 333 . 1 . 1 41 41 ARG HG2 H 1 1.713 0.04 . 2 . . . . A 39 ARG HG2 . 36733 1 334 . 1 . 1 41 41 ARG HG3 H 1 1.713 0.04 . 2 . . . . A 39 ARG HG3 . 36733 1 335 . 1 . 1 41 41 ARG C C 13 177.67 0.20 . 1 . . . . A 39 ARG C . 36733 1 336 . 1 . 1 41 41 ARG CA C 13 57.68 0.20 . 1 . . . . A 39 ARG CA . 36733 1 337 . 1 . 1 41 41 ARG CB C 13 29.71 0.20 . 1 . . . . A 39 ARG CB . 36733 1 338 . 1 . 1 41 41 ARG N N 15 121.647 0.20 . 1 . . . . A 39 ARG N . 36733 1 339 . 1 . 1 42 42 ASP H H 1 8.45 0.04 . 1 . . . . A 40 ASP H . 36733 1 340 . 1 . 1 42 42 ASP HA H 1 4.493 0.04 . 1 . . . . A 40 ASP HA . 36733 1 341 . 1 . 1 42 42 ASP HB2 H 1 2.702 0.04 . 2 . . . . A 40 ASP HB2 . 36733 1 342 . 1 . 1 42 42 ASP HB3 H 1 2.702 0.04 . 2 . . . . A 40 ASP HB3 . 36733 1 343 . 1 . 1 42 42 ASP C C 13 178.35 0.20 . 1 . . . . A 40 ASP C . 36733 1 344 . 1 . 1 42 42 ASP CA C 13 56.2 0.20 . 1 . . . . A 40 ASP CA . 36733 1 345 . 1 . 1 42 42 ASP CB C 13 40.41 0.20 . 1 . . . . A 40 ASP CB . 36733 1 346 . 1 . 1 42 42 ASP N N 15 120.65 0.20 . 1 . . . . A 40 ASP N . 36733 1 347 . 1 . 1 43 43 SER H H 1 8.121 0.04 . 1 . . . . A 41 SER H . 36733 1 348 . 1 . 1 43 43 SER HA H 1 4.34 0.04 . 1 . . . . A 41 SER HA . 36733 1 349 . 1 . 1 43 43 SER HB2 H 1 3.967 0.04 . 2 . . . . A 41 SER HB2 . 36733 1 350 . 1 . 1 43 43 SER HB3 H 1 3.967 0.04 . 2 . . . . A 41 SER HB3 . 36733 1 351 . 1 . 1 43 43 SER C C 13 178.3 0.20 . 1 . . . . A 41 SER C . 36733 1 352 . 1 . 1 43 43 SER CA C 13 59.94 0.20 . 1 . . . . A 41 SER CA . 36733 1 353 . 1 . 1 43 43 SER CB C 13 63.34 0.20 . 1 . . . . A 41 SER CB . 36733 1 354 . 1 . 1 43 43 SER N N 15 115.59 0.20 . 1 . . . . A 41 SER N . 36733 1 355 . 1 . 1 44 44 GLU H H 1 8.185 0.04 . 1 . . . . A 42 GLU H . 36733 1 356 . 1 . 1 44 44 GLU HA H 1 4.19 0.04 . 1 . . . . A 42 GLU HA . 36733 1 357 . 1 . 1 44 44 GLU HB2 H 1 2.117 0.04 . 2 . . . . A 42 GLU HB2 . 36733 1 358 . 1 . 1 44 44 GLU HB3 H 1 2.117 0.04 . 2 . . . . A 42 GLU HB3 . 36733 1 359 . 1 . 1 44 44 GLU HG2 H 1 2.382 0.04 . 2 . . . . A 42 GLU HG2 . 36733 1 360 . 1 . 1 44 44 GLU HG3 H 1 2.382 0.04 . 2 . . . . A 42 GLU HG3 . 36733 1 361 . 1 . 1 44 44 GLU C C 13 178.63 0.20 . 1 . . . . A 42 GLU C . 36733 1 362 . 1 . 1 44 44 GLU CA C 13 58.08 0.20 . 1 . . . . A 42 GLU CA . 36733 1 363 . 1 . 1 44 44 GLU CB C 13 29.9 0.20 . 1 . . . . A 42 GLU CB . 36733 1 364 . 1 . 1 44 44 GLU N N 15 122.891 0.20 . 1 . . . . A 42 GLU N . 36733 1 365 . 1 . 1 45 45 ILE H H 1 8.083 0.04 . 1 . . . . A 43 ILE H . 36733 1 366 . 1 . 1 45 45 ILE HA H 1 3.986 0.04 . 1 . . . . A 43 ILE HA . 36733 1 367 . 1 . 1 45 45 ILE HB H 1 1.915 0.04 . 1 . . . . A 43 ILE HB . 36733 1 368 . 1 . 1 45 45 ILE HD11 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD11 . 36733 1 369 . 1 . 1 45 45 ILE HD12 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD12 . 36733 1 370 . 1 . 1 45 45 ILE HD13 H 1 0.916 0.04 . 1 . . . . A 43 ILE HD13 . 36733 1 371 . 1 . 1 45 45 ILE HG21 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG21 . 36733 1 372 . 1 . 1 45 45 ILE HG22 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG22 . 36733 1 373 . 1 . 1 45 45 ILE HG23 H 1 1.205 0.04 . 1 . . . . A 43 ILE HG23 . 36733 1 374 . 1 . 1 45 45 ILE C C 13 177.95 0.20 . 1 . . . . A 43 ILE C . 36733 1 375 . 1 . 1 45 45 ILE CA C 13 62.86 0.20 . 1 . . . . A 43 ILE CA . 36733 1 376 . 1 . 1 45 45 ILE CB C 13 38.15 0.20 . 1 . . . . A 43 ILE CB . 36733 1 377 . 1 . 1 45 45 ILE N N 15 120.94 0.20 . 1 . . . . A 43 ILE N . 36733 1 378 . 1 . 1 46 46 MET H H 1 8.165 0.04 . 1 . . . . A 44 MET H . 36733 1 379 . 1 . 1 46 46 MET HA H 1 4.36 0.04 . 1 . . . . A 44 MET HA . 36733 1 380 . 1 . 1 46 46 MET HB2 H 1 2.132 0.04 . 2 . . . . A 44 MET HB2 . 36733 1 381 . 1 . 1 46 46 MET HB3 H 1 2.132 0.04 . 2 . . . . A 44 MET HB3 . 36733 1 382 . 1 . 1 46 46 MET HG2 H 1 2.63 0.04 . 2 . . . . A 44 MET HG2 . 36733 1 383 . 1 . 1 46 46 MET HG3 H 1 2.63 0.04 . 2 . . . . A 44 MET HG3 . 36733 1 384 . 1 . 1 46 46 MET C C 13 178.1 0.20 . 1 . . . . A 44 MET C . 36733 1 385 . 1 . 1 46 46 MET CA C 13 57.61 0.20 . 1 . . . . A 44 MET CA . 36733 1 386 . 1 . 1 46 46 MET CB C 13 32.26 0.20 . 1 . . . . A 44 MET CB . 36733 1 387 . 1 . 1 46 46 MET N N 15 121.93 0.20 . 1 . . . . A 44 MET N . 36733 1 388 . 1 . 1 47 47 GLN H H 1 8.255 0.04 . 1 . . . . A 45 GLN H . 36733 1 389 . 1 . 1 47 47 GLN HA H 1 4.214 0.04 . 1 . . . . A 45 GLN HA . 36733 1 390 . 1 . 1 47 47 GLN HB2 H 1 2.106 0.04 . 2 . . . . A 45 GLN HB2 . 36733 1 391 . 1 . 1 47 47 GLN HB3 H 1 2.106 0.04 . 2 . . . . A 45 GLN HB3 . 36733 1 392 . 1 . 1 47 47 GLN HG2 H 1 2.441 0.04 . 2 . . . . A 45 GLN HG2 . 36733 1 393 . 1 . 1 47 47 GLN HG3 H 1 2.441 0.04 . 2 . . . . A 45 GLN HG3 . 36733 1 394 . 1 . 1 47 47 GLN C C 13 178.05 0.20 . 1 . . . . A 45 GLN C . 36733 1 395 . 1 . 1 47 47 GLN CA C 13 57.84 0.20 . 1 . . . . A 45 GLN CA . 36733 1 396 . 1 . 1 47 47 GLN CB C 13 28.85 0.20 . 1 . . . . A 45 GLN CB . 36733 1 397 . 1 . 1 47 47 GLN N N 15 120.651 0.20 . 1 . . . . A 45 GLN N . 36733 1 398 . 1 . 1 48 48 GLU H H 1 8.282 0.04 . 1 . . . . A 46 GLU H . 36733 1 399 . 1 . 1 48 48 GLU HA H 1 4.223 0.04 . 1 . . . . A 46 GLU HA . 36733 1 400 . 1 . 1 48 48 GLU HB2 H 1 1.997 0.04 . 2 . . . . A 46 GLU HB2 . 36733 1 401 . 1 . 1 48 48 GLU HB3 H 1 1.997 0.04 . 2 . . . . A 46 GLU HB3 . 36733 1 402 . 1 . 1 48 48 GLU HG2 H 1 2.284 0.04 . 2 . . . . A 46 GLU HG2 . 36733 1 403 . 1 . 1 48 48 GLU HG3 H 1 2.284 0.04 . 2 . . . . A 46 GLU HG3 . 36733 1 404 . 1 . 1 48 48 GLU C C 13 178.68 0.20 . 1 . . . . A 46 GLU C . 36733 1 405 . 1 . 1 48 48 GLU N N 15 121.304 0.20 . 1 . . . . A 46 GLU N . 36733 1 406 . 1 . 1 51 51 LYS CA C 13 57.49 0.20 . 1 . . . . A 49 LYS CA . 36733 1 407 . 1 . 1 51 51 LYS CB C 13 32.76 0.20 . 1 . . . . A 49 LYS CB . 36733 1 408 . 1 . 1 52 52 ALA H H 1 8.168 0.04 . 1 . . . . A 50 ALA H . 36733 1 409 . 1 . 1 52 52 ALA HA H 1 4.266 0.04 . 1 . . . . A 50 ALA HA . 36733 1 410 . 1 . 1 52 52 ALA HB1 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB1 . 36733 1 411 . 1 . 1 52 52 ALA HB2 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB2 . 36733 1 412 . 1 . 1 52 52 ALA HB3 H 1 1.431 0.04 . 1 . . . . A 50 ALA HB3 . 36733 1 413 . 1 . 1 52 52 ALA C C 13 179.15 0.20 . 1 . . . . A 50 ALA C . 36733 1 414 . 1 . 1 52 52 ALA CA C 13 53.18 0.20 . 1 . . . . A 50 ALA CA . 36733 1 415 . 1 . 1 52 52 ALA CB C 13 18.64 0.20 . 1 . . . . A 50 ALA CB . 36733 1 416 . 1 . 1 52 52 ALA N N 15 123.721 0.20 . 1 . . . . A 50 ALA N . 36733 1 417 . 1 . 1 53 53 ALA H H 1 8.126 0.04 . 1 . . . . A 51 ALA H . 36733 1 418 . 1 . 1 53 53 ALA HA H 1 4.232 0.04 . 1 . . . . A 51 ALA HA . 36733 1 419 . 1 . 1 53 53 ALA HB1 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB1 . 36733 1 420 . 1 . 1 53 53 ALA HB2 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB2 . 36733 1 421 . 1 . 1 53 53 ALA HB3 H 1 1.428 0.04 . 1 . . . . A 51 ALA HB3 . 36733 1 422 . 1 . 1 53 53 ALA C C 13 178.99 0.20 . 1 . . . . A 51 ALA C . 36733 1 423 . 1 . 1 53 53 ALA CA C 13 53.41 0.20 . 1 . . . . A 51 ALA CA . 36733 1 424 . 1 . 1 53 53 ALA CB C 13 18.8 0.20 . 1 . . . . A 51 ALA CB . 36733 1 425 . 1 . 1 53 53 ALA N N 15 122.33 0.20 . 1 . . . . A 51 ALA N . 36733 1 426 . 1 . 1 54 54 ASN H H 1 8.26 0.04 . 1 . . . . A 52 ASN H . 36733 1 427 . 1 . 1 54 54 ASN HA H 1 4.603 0.04 . 1 . . . . A 52 ASN HA . 36733 1 428 . 1 . 1 54 54 ASN HB2 H 1 2.837 0.04 . 2 . . . . A 52 ASN HB2 . 36733 1 429 . 1 . 1 54 54 ASN HB3 H 1 2.837 0.04 . 2 . . . . A 52 ASN HB3 . 36733 1 430 . 1 . 1 54 54 ASN C C 13 176.34 0.20 . 1 . . . . A 52 ASN C . 36733 1 431 . 1 . 1 54 54 ASN CA C 13 54.01 0.20 . 1 . . . . A 52 ASN CA . 36733 1 432 . 1 . 1 54 54 ASN CB C 13 38.68 0.20 . 1 . . . . A 52 ASN CB . 36733 1 433 . 1 . 1 54 54 ASN N N 15 117.229 0.20 . 1 . . . . A 52 ASN N . 36733 1 434 . 1 . 1 55 55 GLU H H 1 8.196 0.04 . 1 . . . . A 53 GLU H . 36733 1 435 . 1 . 1 55 55 GLU HA H 1 4.222 0.04 . 1 . . . . A 53 GLU HA . 36733 1 436 . 1 . 1 55 55 GLU HB2 H 1 2.023 0.04 . 2 . . . . A 53 GLU HB2 . 36733 1 437 . 1 . 1 55 55 GLU HB3 H 1 2.023 0.04 . 2 . . . . A 53 GLU HB3 . 36733 1 438 . 1 . 1 55 55 GLU HG2 H 1 2.288 0.04 . 2 . . . . A 53 GLU HG2 . 36733 1 439 . 1 . 1 55 55 GLU HG3 H 1 2.288 0.04 . 2 . . . . A 53 GLU HG3 . 36733 1 440 . 1 . 1 55 55 GLU C C 13 177.23 0.20 . 1 . . . . A 53 GLU C . 36733 1 441 . 1 . 1 55 55 GLU CA C 13 57.57 0.20 . 1 . . . . A 53 GLU CA . 36733 1 442 . 1 . 1 55 55 GLU CB C 13 29.96 0.20 . 1 . . . . A 53 GLU CB . 36733 1 443 . 1 . 1 55 55 GLU N N 15 121.303 0.20 . 1 . . . . A 53 GLU N . 36733 1 444 . 1 . 1 58 58 SER H H 1 8.282 0.04 . 1 . . . . A 56 SER H . 36733 1 445 . 1 . 1 58 58 SER HA H 1 4.417 0.04 . 1 . . . . A 56 SER HA . 36733 1 446 . 1 . 1 58 58 SER HB2 H 1 3.891 0.04 . 2 . . . . A 56 SER HB2 . 36733 1 447 . 1 . 1 58 58 SER HB3 H 1 3.891 0.04 . 2 . . . . A 56 SER HB3 . 36733 1 448 . 1 . 1 58 58 SER C C 13 174.81 0.20 . 1 . . . . A 56 SER C . 36733 1 449 . 1 . 1 58 58 SER CA C 13 58.67 0.20 . 1 . . . . A 56 SER CA . 36733 1 450 . 1 . 1 58 58 SER CB C 13 63.6 0.20 . 1 . . . . A 56 SER CB . 36733 1 451 . 1 . 1 58 58 SER N N 15 116.489 0.20 . 1 . . . . A 56 SER N . 36733 1 452 . 1 . 1 59 59 MET H H 1 8.384 0.04 . 1 . . . . A 57 MET H . 36733 1 453 . 1 . 1 59 59 MET HA H 1 4.429 0.04 . 1 . . . . A 57 MET HA . 36733 1 454 . 1 . 1 59 59 MET HB2 H 1 2.021 0.04 . 2 . . . . A 57 MET HB2 . 36733 1 455 . 1 . 1 59 59 MET HB3 H 1 2.021 0.04 . 2 . . . . A 57 MET HB3 . 36733 1 456 . 1 . 1 59 59 MET HG2 H 1 2.579 0.04 . 1 . . . . A 57 MET HG2 . 36733 1 457 . 1 . 1 59 59 MET C C 13 175.51 0.20 . 1 . . . . A 57 MET C . 36733 1 458 . 1 . 1 59 59 MET CA C 13 56.69 0.20 . 1 . . . . A 57 MET CA . 36733 1 459 . 1 . 1 59 59 MET CB C 13 32.54 0.20 . 1 . . . . A 57 MET CB . 36733 1 460 . 1 . 1 59 59 MET N N 15 121.923 0.20 . 1 . . . . A 57 MET N . 36733 1 461 . 1 . 1 60 60 GLN C C 13 176.13 0.20 . 1 . . . . A 58 GLN C . 36733 1 462 . 1 . 1 60 60 GLN CA C 13 56.31 0.20 . 1 . . . . A 58 GLN CA . 36733 1 463 . 1 . 1 60 60 GLN CB C 13 29.34 0.20 . 1 . . . . A 58 GLN CB . 36733 1 464 . 1 . 1 61 61 THR H H 1 8.193 0.04 . 1 . . . . A 59 THR H . 36733 1 465 . 1 . 1 61 61 THR HA H 1 4.299 0.04 . 1 . . . . A 59 THR HA . 36733 1 466 . 1 . 1 61 61 THR HG21 H 1 1.203 0.04 . 1 . . . . A 59 THR HG21 . 36733 1 467 . 1 . 1 61 61 THR HG22 H 1 1.203 0.04 . 1 . . . . A 59 THR HG22 . 36733 1 468 . 1 . 1 61 61 THR HG23 H 1 1.203 0.04 . 1 . . . . A 59 THR HG23 . 36733 1 469 . 1 . 1 61 61 THR C C 13 174.12 0.20 . 1 . . . . A 59 THR C . 36733 1 470 . 1 . 1 61 61 THR CA C 13 61.89 0.20 . 1 . . . . A 59 THR CA . 36733 1 471 . 1 . 1 61 61 THR CB C 13 69.77 0.20 . 1 . . . . A 59 THR CB . 36733 1 472 . 1 . 1 61 61 THR N N 15 115.955 0.20 . 1 . . . . A 59 THR N . 36733 1 473 . 1 . 1 62 62 ARG H H 1 8.353 0.04 . 1 . . . . A 60 ARG H . 36733 1 474 . 1 . 1 62 62 ARG HA H 1 4.375 0.04 . 1 . . . . A 60 ARG HA . 36733 1 475 . 1 . 1 62 62 ARG HB2 H 1 1.804 0.04 . 2 . . . . A 60 ARG HB2 . 36733 1 476 . 1 . 1 62 62 ARG HB3 H 1 1.804 0.04 . 2 . . . . A 60 ARG HB3 . 36733 1 477 . 1 . 1 62 62 ARG HD2 H 1 3.191 0.04 . 2 . . . . A 60 ARG HD2 . 36733 1 478 . 1 . 1 62 62 ARG HD3 H 1 3.191 0.04 . 2 . . . . A 60 ARG HD3 . 36733 1 479 . 1 . 1 62 62 ARG HG2 H 1 1.643 0.04 . 2 . . . . A 60 ARG HG2 . 36733 1 480 . 1 . 1 62 62 ARG HG3 H 1 1.643 0.04 . 2 . . . . A 60 ARG HG3 . 36733 1 481 . 1 . 1 62 62 ARG C C 13 175.92 0.20 . 1 . . . . A 60 ARG C . 36733 1 482 . 1 . 1 62 62 ARG CA C 13 55.82 0.20 . 1 . . . . A 60 ARG CA . 36733 1 483 . 1 . 1 62 62 ARG CB C 13 30.88 0.20 . 1 . . . . A 60 ARG CB . 36733 1 484 . 1 . 1 62 62 ARG N N 15 123.567 0.20 . 1 . . . . A 60 ARG N . 36733 1 485 . 1 . 1 63 63 GLU H H 1 8.526 0.04 . 1 . . . . A 61 GLU H . 36733 1 486 . 1 . 1 63 63 GLU HA H 1 4.249 0.04 . 1 . . . . A 61 GLU HA . 36733 1 487 . 1 . 1 63 63 GLU HB2 H 1 1.942 0.04 . 2 . . . . A 61 GLU HB2 . 36733 1 488 . 1 . 1 63 63 GLU HB3 H 1 1.942 0.04 . 2 . . . . A 61 GLU HB3 . 36733 1 489 . 1 . 1 63 63 GLU HG2 H 1 2.281 0.04 . 2 . . . . A 61 GLU HG2 . 36733 1 490 . 1 . 1 63 63 GLU HG3 H 1 2.281 0.04 . 2 . . . . A 61 GLU HG3 . 36733 1 491 . 1 . 1 63 63 GLU C C 13 175.28 0.20 . 1 . . . . A 61 GLU C . 36733 1 492 . 1 . 1 63 63 GLU CA C 13 56.89 0.20 . 1 . . . . A 61 GLU CA . 36733 1 493 . 1 . 1 63 63 GLU CB C 13 30.26 0.20 . 1 . . . . A 61 GLU CB . 36733 1 494 . 1 . 1 63 63 GLU N N 15 123.042 0.20 . 1 . . . . A 61 GLU N . 36733 1 495 . 1 . 1 64 64 LYS H H 1 7.941 0.04 . 1 . . . . A 62 LYS H . 36733 1 496 . 1 . 1 64 64 LYS HA H 1 4.125 0.04 . 1 . . . . A 62 LYS HA . 36733 1 497 . 1 . 1 64 64 LYS HB2 H 1 1.752 0.04 . 2 . . . . A 62 LYS HB2 . 36733 1 498 . 1 . 1 64 64 LYS HB3 H 1 1.752 0.04 . 2 . . . . A 62 LYS HB3 . 36733 1 499 . 1 . 1 64 64 LYS HD2 H 1 1.369 0.04 . 1 . . . . A 62 LYS HD2 . 36733 1 500 . 1 . 1 64 64 LYS C C 13 180.91 0.20 . 1 . . . . A 62 LYS C . 36733 1 501 . 1 . 1 64 64 LYS CA C 13 57.74 0.20 . 1 . . . . A 62 LYS CA . 36733 1 502 . 1 . 1 64 64 LYS CB C 13 33.48 0.20 . 1 . . . . A 62 LYS CB . 36733 1 503 . 1 . 1 64 64 LYS N N 15 126.739 0.20 . 1 . . . . A 62 LYS N . 36733 1 stop_ save_