data_36775 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36775 _Entry.Title ; N-terminal half domain of EPC3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-08-01 _Entry.Accession_date 2026-03-09 _Entry.Last_release_date 2026-03-09 _Entry.Original_release_date 2026-03-09 _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 Z. Xu Z. . . . 36775 2 S. Ohki S. . . . 36775 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Effector . 36775 Pytopathogen . 36775 'VIRAL PROTEIN' . 36775 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36775 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 36775 '15N chemical shifts' 61 36775 '1H chemical shifts' 400 36775 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 . . 2026-06-07 . original BMRB . 36775 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9W4X 'BMRB Entry Tracking System' 36775 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36775 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41140374 _Citation.DOI 10.3389/fpls.2025.1691993 _Citation.Full_citation . _Citation.Title ; Identification and NMR-based structural characterization of the functional domain of EPC3, a virulence effector of the phytopathogenic fungus Colletotrichum orbiculare. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Plant Sci.' _Citation.Journal_name_full 'Frontiers in plant science' _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1664-462X _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 1691993 _Citation.Page_last 1691993 _Citation.Year 2025 _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 Zhe Xu Z. . . . 36775 1 2 Suthitar Singkaravanit-Ogawa S. . . . 36775 1 3 Yoshitaka Takano Y. . . . 36775 1 4 Shinya Ohki S. . . . 36775 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36775 _Assembly.ID 1 _Assembly.Name EPC3 _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 'all disulfide bound' _Assembly.Molecular_mass 7783.827 _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 . . . . . . 36775 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide sing . 1 entity_1 1 CYS 6 6 SG . 1 entity_1 1 CYS 27 27 SG . . A 6 CYS SG . . A 27 CYS SG 36775 1 2 disulfide sing . 1 entity_1 1 CYS 17 17 SG . 1 entity_1 1 CYS 49 49 SG . . A 17 CYS SG . . A 49 CYS SG 36775 1 3 disulfide sing . 1 entity_1 1 CYS 43 43 SG . 1 entity_1 1 CYS 63 63 SG . . A 43 CYS SG . . A 63 CYS SG 36775 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 6 6 HG A 6 CYS HG 36775 1 2 . 1 . CYS 27 27 HG A 27 CYS HG 36775 1 3 . 1 . CYS 17 17 HG A 17 CYS HG 36775 1 4 . 1 . CYS 49 49 HG A 49 CYS HG 36775 1 5 . 1 . CYS 43 43 HG A 43 CYS HG 36775 1 6 . 1 . CYS 63 63 HG A 63 CYS HG 36775 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 . 36775 1 . 1 1 10 GLN 10 . A 10 GLN . middle . . 36775 1 . 1 1 11 THR 11 . A 11 THR . middle . . 36775 1 . 1 1 12 TYR 12 . A 12 TYR . middle . . 36775 1 . 1 1 13 ASP 13 . A 13 ASP . middle . . 36775 1 . 1 1 14 ARG 14 . A 14 ARG . middle . . 36775 1 . 1 1 15 SER 15 . A 15 SER . middle . . 36775 1 . 1 1 16 VAL 16 . A 16 VAL . middle . . 36775 1 . 1 1 17 CYS 17 . A 17 CYS . middle . . 36775 1 . 1 1 18 TYR 18 . A 18 TYR . middle . . 36775 1 . 1 1 19 LYS 19 . A 19 LYS . middle . . 36775 1 . 1 1 2 PRO 2 . A 2 PRO . middle no . 36775 1 . 1 1 20 TYR 20 . A 20 TYR . middle . . 36775 1 . 1 1 21 ASN 21 . A 21 ASN . middle . . 36775 1 . 1 1 22 THR 22 . A 22 THR . middle . . 36775 1 . 1 1 23 ILE 23 . A 23 ILE . middle . . 36775 1 . 1 1 24 ARG 24 . A 24 ARG . middle . . 36775 1 . 1 1 25 ARG 25 . A 25 ARG . middle . . 36775 1 . 1 1 26 PHE 26 . A 26 PHE . middle . . 36775 1 . 1 1 27 CYS 27 . A 27 CYS . middle . . 36775 1 . 1 1 28 VAL 28 . A 28 VAL . middle . . 36775 1 . 1 1 29 ALA 29 . A 29 ALA . middle . . 36775 1 . 1 1 3 ASP 3 . A 3 ASP . middle . . 36775 1 . 1 1 30 ASN 30 . A 30 ASN . middle . . 36775 1 . 1 1 31 PRO 31 . A 31 PRO . middle no . 36775 1 . 1 1 32 ARG 32 . A 32 ARG . middle . . 36775 1 . 1 1 33 SER 33 . A 33 SER . middle . . 36775 1 . 1 1 34 ASN 34 . A 34 ASN . middle . . 36775 1 . 1 1 35 ARG 35 . A 35 ARG . middle . . 36775 1 . 1 1 36 GLU 36 . A 36 GLU . middle . . 36775 1 . 1 1 37 ASP 37 . A 37 ASP . middle . . 36775 1 . 1 1 38 ILE 38 . A 38 ILE . middle . . 36775 1 . 1 1 39 LYS 39 . A 39 LYS . middle . . 36775 1 . 1 1 4 ARG 4 . A 4 ARG . middle . . 36775 1 . 1 1 40 ASN 40 . A 40 ASN . middle . . 36775 1 . 1 1 41 THR 41 . A 41 THR . middle . . 36775 1 . 1 1 42 PRO 42 . A 42 PRO . middle no . 36775 1 . 1 1 43 CYS 43 . A 43 CYS . middle . . 36775 1 . 1 1 44 ARG 44 . A 44 ARG . middle . . 36775 1 . 1 1 45 ALA 45 . A 45 ALA . middle . . 36775 1 . 1 1 46 ASP 46 . A 46 ASP . middle . . 36775 1 . 1 1 47 GLU 47 . A 47 GLU . middle . . 36775 1 . 1 1 48 ILE 48 . A 48 ILE . middle . . 36775 1 . 1 1 49 CYS 49 . A 49 CYS . middle . . 36775 1 . 1 1 5 THR 5 . A 5 THR . middle . . 36775 1 . 1 1 50 VAL 50 . A 50 VAL . middle . . 36775 1 . 1 1 51 GLN 51 . A 51 GLN . middle . . 36775 1 . 1 1 52 ARG 52 . A 52 ARG . middle . . 36775 1 . 1 1 53 ASN 53 . A 53 ASN . middle . . 36775 1 . 1 1 54 LEU 54 . A 54 LEU . middle . . 36775 1 . 1 1 55 SER 55 . A 55 SER . middle . . 36775 1 . 1 1 56 ASN 56 . A 56 ASN . middle . . 36775 1 . 1 1 57 GLY 57 . A 57 GLY . middle no . 36775 1 . 1 1 58 LYS 58 . A 58 LYS . middle . . 36775 1 . 1 1 59 SER 59 . A 59 SER . middle . . 36775 1 . 1 1 6 CYS 6 . A 6 CYS . middle . . 36775 1 . 1 1 60 PHE 60 . A 60 PHE . middle . . 36775 1 . 1 1 61 ALA 61 . A 61 ALA . middle . . 36775 1 . 1 1 62 GLN 62 . A 62 GLN . middle . . 36775 1 . 1 1 63 CYS 63 . A 63 CYS . middle . . 36775 1 . 1 1 64 ILE 64 . A 64 ILE . middle . . 36775 1 . 1 1 65 GLU 65 . A 65 GLU . middle . . 36775 1 . 1 1 66 LEU 66 . A 66 LEU . middle . . 36775 1 . 1 1 67 VAL 67 . A 67 VAL . middle . . 36775 1 . 1 1 68 LYS 68 . A 68 LYS . end . . 36775 1 . 1 1 7 PRO 7 . A 7 PRO . middle no . 36775 1 . 1 1 8 ALA 8 . A 8 ALA . middle . . 36775 1 . 1 1 9 GLY 9 . A 9 GLY . middle no . 36775 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36775 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EPC3 _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 ; GPDRTCPAGQTYDRSVCYKY NTIRRFCVANPRSNREDIKN TPCRADEICVQRNLSNGKSF AQCIELVK ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7783.827 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 36775 1 2 2 PRO . 36775 1 3 3 ASP . 36775 1 4 4 ARG . 36775 1 5 5 THR . 36775 1 6 6 CYS . 36775 1 7 7 PRO . 36775 1 8 8 ALA . 36775 1 9 9 GLY . 36775 1 10 10 GLN . 36775 1 11 11 THR . 36775 1 12 12 TYR . 36775 1 13 13 ASP . 36775 1 14 14 ARG . 36775 1 15 15 SER . 36775 1 16 16 VAL . 36775 1 17 17 CYS . 36775 1 18 18 TYR . 36775 1 19 19 LYS . 36775 1 20 20 TYR . 36775 1 21 21 ASN . 36775 1 22 22 THR . 36775 1 23 23 ILE . 36775 1 24 24 ARG . 36775 1 25 25 ARG . 36775 1 26 26 PHE . 36775 1 27 27 CYS . 36775 1 28 28 VAL . 36775 1 29 29 ALA . 36775 1 30 30 ASN . 36775 1 31 31 PRO . 36775 1 32 32 ARG . 36775 1 33 33 SER . 36775 1 34 34 ASN . 36775 1 35 35 ARG . 36775 1 36 36 GLU . 36775 1 37 37 ASP . 36775 1 38 38 ILE . 36775 1 39 39 LYS . 36775 1 40 40 ASN . 36775 1 41 41 THR . 36775 1 42 42 PRO . 36775 1 43 43 CYS . 36775 1 44 44 ARG . 36775 1 45 45 ALA . 36775 1 46 46 ASP . 36775 1 47 47 GLU . 36775 1 48 48 ILE . 36775 1 49 49 CYS . 36775 1 50 50 VAL . 36775 1 51 51 GLN . 36775 1 52 52 ARG . 36775 1 53 53 ASN . 36775 1 54 54 LEU . 36775 1 55 55 SER . 36775 1 56 56 ASN . 36775 1 57 57 GLY . 36775 1 58 58 LYS . 36775 1 59 59 SER . 36775 1 60 60 PHE . 36775 1 61 61 ALA . 36775 1 62 62 GLN . 36775 1 63 63 CYS . 36775 1 64 64 ILE . 36775 1 65 65 GLU . 36775 1 66 66 LEU . 36775 1 67 67 VAL . 36775 1 68 68 LYS . 36775 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 36775 1 . PRO 2 2 36775 1 . ASP 3 3 36775 1 . ARG 4 4 36775 1 . THR 5 5 36775 1 . CYS 6 6 36775 1 . PRO 7 7 36775 1 . ALA 8 8 36775 1 . GLY 9 9 36775 1 . GLN 10 10 36775 1 . THR 11 11 36775 1 . TYR 12 12 36775 1 . ASP 13 13 36775 1 . ARG 14 14 36775 1 . SER 15 15 36775 1 . VAL 16 16 36775 1 . CYS 17 17 36775 1 . TYR 18 18 36775 1 . LYS 19 19 36775 1 . TYR 20 20 36775 1 . ASN 21 21 36775 1 . THR 22 22 36775 1 . ILE 23 23 36775 1 . ARG 24 24 36775 1 . ARG 25 25 36775 1 . PHE 26 26 36775 1 . CYS 27 27 36775 1 . VAL 28 28 36775 1 . ALA 29 29 36775 1 . ASN 30 30 36775 1 . PRO 31 31 36775 1 . ARG 32 32 36775 1 . SER 33 33 36775 1 . ASN 34 34 36775 1 . ARG 35 35 36775 1 . GLU 36 36 36775 1 . ASP 37 37 36775 1 . ILE 38 38 36775 1 . LYS 39 39 36775 1 . ASN 40 40 36775 1 . THR 41 41 36775 1 . PRO 42 42 36775 1 . CYS 43 43 36775 1 . ARG 44 44 36775 1 . ALA 45 45 36775 1 . ASP 46 46 36775 1 . GLU 47 47 36775 1 . ILE 48 48 36775 1 . CYS 49 49 36775 1 . VAL 50 50 36775 1 . GLN 51 51 36775 1 . ARG 52 52 36775 1 . ASN 53 53 36775 1 . LEU 54 54 36775 1 . SER 55 55 36775 1 . ASN 56 56 36775 1 . GLY 57 57 36775 1 . LYS 58 58 36775 1 . SER 59 59 36775 1 . PHE 60 60 36775 1 . ALA 61 61 36775 1 . GLN 62 62 36775 1 . CYS 63 63 36775 1 . ILE 64 64 36775 1 . GLU 65 65 36775 1 . LEU 66 66 36775 1 . VAL 67 67 36775 1 . LYS 68 68 36775 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 36775 _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 . 5465 organism . 'Colletotrichum orbiculare' . . . . Fungi Colletotrichum orbiculare . . . . . . . . . . . . . 36775 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 36775 _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 . . . . . . . . . . 36775 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36775 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-100% 13C; U-100% 15N] 13C_15N_sample, 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 13C_15N_sample '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 800 . . uM . . . . 36775 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36775 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36775 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 36775 _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' 50 . mM 36775 1 pH 7.0 . pH 36775 1 pressure 1 . atm 36775 1 temperature 308 . K 36775 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36775 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, Markley' . . 36775 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36775 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36775 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36775 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36775 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36775 _Software.ID 3 _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' . . 36775 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36775 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36775 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36775 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36775 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36775 _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 36775 _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 . . . 36775 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 36775 _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 . . . . . . . . . . . . . . . . . 36775 1 2 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 4 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 5 '3D C(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 6 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 7 '2D 1H-13C HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 8 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 9 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 10 '3D 1H-13C NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 1 11 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36775 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 36775 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36775 1 H 1 water protons . . . . ppm 0.000 internal direct 1.0 . . . . . 36775 1 N 15 water protons . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36775 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_starch_output _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode starch_output _Assigned_chem_shift_list.Entry_ID 36775 _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 36775 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 36775 1 2 $software_2 . . 36775 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 2 2 PRO CA C 13 64.182 0.000 . 1 . . . . A 2 PRO CA . 36775 1 2 . 1 . 1 2 2 PRO CB C 13 32.095 0.000 . 1 . . . . A 2 PRO CB . 36775 1 3 . 1 . 1 3 3 ASP H H 1 8.958 0.004 . 1 . . . . A 3 ASP H . 36775 1 4 . 1 . 1 3 3 ASP HA H 1 4.719 0.000 . 1 . . . . A 3 ASP HA . 36775 1 5 . 1 . 1 3 3 ASP HB2 H 1 2.970 0.000 . . . . . . A 3 ASP HB2 . 36775 1 6 . 1 . 1 3 3 ASP HB3 H 1 2.884 0.000 . . . . . . A 3 ASP HB3 . 36775 1 7 . 1 . 1 3 3 ASP CA C 13 55.407 0.001 . 1 . . . . A 3 ASP CA . 36775 1 8 . 1 . 1 3 3 ASP CB C 13 46.486 0.000 . 1 . . . . A 3 ASP CB . 36775 1 9 . 1 . 1 3 3 ASP N N 15 123.012 0.005 . 1 . . . . A 3 ASP N . 36775 1 10 . 1 . 1 4 4 ARG CA C 13 56.848 0.004 . 1 . . . . A 4 ARG CA . 36775 1 11 . 1 . 1 4 4 ARG CB C 13 29.557 0.004 . 1 . . . . A 4 ARG CB . 36775 1 12 . 1 . 1 4 4 ARG CD C 13 41.748 0.000 . 1 . . . . A 4 ARG CD . 36775 1 13 . 1 . 1 4 4 ARG CG C 13 26.629 0.000 . 1 . . . . A 4 ARG CG . 36775 1 14 . 1 . 1 5 5 THR H H 1 8.156 0.005 . 1 . . . . A 5 THR H . 36775 1 15 . 1 . 1 5 5 THR HA H 1 4.724 0.000 . 1 . . . . A 5 THR HA . 36775 1 16 . 1 . 1 5 5 THR HB H 1 4.048 0.000 . 1 . . . . A 5 THR HB . 36775 1 17 . 1 . 1 5 5 THR HG21 H 1 1.204 0.000 . 1 . . . . A 5 THR HG21 . 36775 1 18 . 1 . 1 5 5 THR HG22 H 1 1.204 0.000 . 1 . . . . A 5 THR HG22 . 36775 1 19 . 1 . 1 5 5 THR HG23 H 1 1.204 0.000 . 1 . . . . A 5 THR HG23 . 36775 1 20 . 1 . 1 5 5 THR CA C 13 60.870 0.000 . 1 . . . . A 5 THR CA . 36775 1 21 . 1 . 1 5 5 THR CB C 13 65.277 0.000 . 1 . . . . A 5 THR CB . 36775 1 22 . 1 . 1 5 5 THR N N 15 116.900 0.000 . 1 . . . . A 5 THR N . 36775 1 23 . 1 . 1 7 7 PRO HA H 1 4.415 0.003 . 1 . . . . A 7 PRO HA . 36775 1 24 . 1 . 1 7 7 PRO HB2 H 1 2.350 0.000 . . . . . . A 7 PRO HB2 . 36775 1 25 . 1 . 1 7 7 PRO HB3 H 1 1.915 0.000 . . . . . . A 7 PRO HB3 . 36775 1 26 . 1 . 1 7 7 PRO HD2 H 1 3.710 0.000 . . . . . . A 7 PRO HD2 . 36775 1 27 . 1 . 1 7 7 PRO HD3 H 1 3.274 0.000 . . . . . . A 7 PRO HD3 . 36775 1 28 . 1 . 1 7 7 PRO HG2 H 1 1.726 0.000 . . . . . . A 7 PRO HG2 . 36775 1 29 . 1 . 1 7 7 PRO HG3 H 1 1.639 0.000 . . . . . . A 7 PRO HG3 . 36775 1 30 . 1 . 1 7 7 PRO CA C 13 62.600 0.001 . 1 . . . . A 7 PRO CA . 36775 1 31 . 1 . 1 7 7 PRO CB C 13 32.376 0.001 . 1 . . . . A 7 PRO CB . 36775 1 32 . 1 . 1 7 7 PRO CD C 13 50.773 0.000 . 1 . . . . A 7 PRO CD . 36775 1 33 . 1 . 1 7 7 PRO CG C 13 27.961 0.000 . 1 . . . . A 7 PRO CG . 36775 1 34 . 1 . 1 8 8 ALA H H 1 8.271 0.003 . 1 . . . . A 8 ALA H . 36775 1 35 . 1 . 1 8 8 ALA HA H 1 4.160 0.003 . 1 . . . . A 8 ALA HA . 36775 1 36 . 1 . 1 8 8 ALA HB1 H 1 1.399 0.002 . 1 . . . . A 8 ALA HB1 . 36775 1 37 . 1 . 1 8 8 ALA HB2 H 1 1.399 0.002 . 1 . . . . A 8 ALA HB2 . 36775 1 38 . 1 . 1 8 8 ALA HB3 H 1 1.399 0.002 . 1 . . . . A 8 ALA HB3 . 36775 1 39 . 1 . 1 8 8 ALA CA C 13 53.800 0.001 . 1 . . . . A 8 ALA CA . 36775 1 40 . 1 . 1 8 8 ALA CB C 13 18.164 0.000 . 1 . . . . A 8 ALA CB . 36775 1 41 . 1 . 1 8 8 ALA N N 15 122.624 0.025 . 1 . . . . A 8 ALA N . 36775 1 42 . 1 . 1 9 9 GLY H H 1 8.236 0.003 . 1 . . . . A 9 GLY H . 36775 1 43 . 1 . 1 9 9 GLY HA2 H 1 4.240 0.005 . . . . . . A 9 GLY HA2 . 36775 1 44 . 1 . 1 9 9 GLY HA3 H 1 4.240 0.005 . . . . . . A 9 GLY HA3 . 36775 1 45 . 1 . 1 9 9 GLY CA C 13 45.205 0.003 . 1 . . . . A 9 GLY CA . 36775 1 46 . 1 . 1 9 9 GLY N N 15 114.200 0.000 . 1 . . . . A 9 GLY N . 36775 1 47 . 1 . 1 10 10 GLN H H 1 8.291 0.004 . 1 . . . . A 10 GLN H . 36775 1 48 . 1 . 1 10 10 GLN HA H 1 4.468 0.002 . 1 . . . . A 10 GLN HA . 36775 1 49 . 1 . 1 10 10 GLN HB2 H 1 1.932 0.000 . . . . . . A 10 GLN HB2 . 36775 1 50 . 1 . 1 10 10 GLN HB3 H 1 1.864 0.000 . . . . . . A 10 GLN HB3 . 36775 1 51 . 1 . 1 10 10 GLN HG2 H 1 2.575 0.004 . . . . . . A 10 GLN HG2 . 36775 1 52 . 1 . 1 10 10 GLN HG3 H 1 2.533 0.001 . . . . . . A 10 GLN HG3 . 36775 1 53 . 1 . 1 10 10 GLN CA C 13 54.613 0.006 . 1 . . . . A 10 GLN CA . 36775 1 54 . 1 . 1 10 10 GLN CB C 13 31.939 0.003 . 1 . . . . A 10 GLN CB . 36775 1 55 . 1 . 1 10 10 GLN CG C 13 34.333 0.000 . 1 . . . . A 10 GLN CG . 36775 1 56 . 1 . 1 10 10 GLN N N 15 119.853 0.000 . 1 . . . . A 10 GLN N . 36775 1 57 . 1 . 1 11 11 THR H H 1 9.050 0.003 . 1 . . . . A 11 THR H . 36775 1 58 . 1 . 1 11 11 THR HA H 1 4.687 0.000 . 1 . . . . A 11 THR HA . 36775 1 59 . 1 . 1 11 11 THR HB H 1 4.029 0.000 . 1 . . . . A 11 THR HB . 36775 1 60 . 1 . 1 11 11 THR HG21 H 1 1.239 0.000 . 1 . . . . A 11 THR HG21 . 36775 1 61 . 1 . 1 11 11 THR HG22 H 1 1.239 0.000 . 1 . . . . A 11 THR HG22 . 36775 1 62 . 1 . 1 11 11 THR HG23 H 1 1.239 0.000 . 1 . . . . A 11 THR HG23 . 36775 1 63 . 1 . 1 11 11 THR CA C 13 60.837 0.003 . 1 . . . . A 11 THR CA . 36775 1 64 . 1 . 1 11 11 THR CB C 13 71.895 0.003 . 1 . . . . A 11 THR CB . 36775 1 65 . 1 . 1 11 11 THR CG2 C 13 21.418 0.000 . 1 . . . . A 11 THR CG2 . 36775 1 66 . 1 . 1 11 11 THR N N 15 113.566 0.000 . 1 . . . . A 11 THR N . 36775 1 67 . 1 . 1 12 12 TYR H H 1 8.936 0.003 . 1 . . . . A 12 TYR H . 36775 1 68 . 1 . 1 12 12 TYR HA H 1 4.695 0.000 . 1 . . . . A 12 TYR HA . 36775 1 69 . 1 . 1 12 12 TYR HB2 H 1 3.210 0.000 . . . . . . A 12 TYR HB2 . 36775 1 70 . 1 . 1 12 12 TYR HB3 H 1 3.013 0.000 . . . . . . A 12 TYR HB3 . 36775 1 71 . 1 . 1 12 12 TYR CA C 13 60.669 0.004 . 1 . . . . A 12 TYR CA . 36775 1 72 . 1 . 1 12 12 TYR CB C 13 38.371 0.004 . 1 . . . . A 12 TYR CB . 36775 1 73 . 1 . 1 12 12 TYR N N 15 128.120 0.000 . 1 . . . . A 12 TYR N . 36775 1 74 . 1 . 1 13 13 ASP H H 1 8.593 0.004 . 1 . . . . A 13 ASP H . 36775 1 75 . 1 . 1 13 13 ASP HA H 1 4.849 0.001 . 1 . . . . A 13 ASP HA . 36775 1 76 . 1 . 1 13 13 ASP HB2 H 1 2.507 0.002 . . . . . . A 13 ASP HB2 . 36775 1 77 . 1 . 1 13 13 ASP HB3 H 1 2.357 0.001 . . . . . . A 13 ASP HB3 . 36775 1 78 . 1 . 1 13 13 ASP CA C 13 56.033 0.004 . 1 . . . . A 13 ASP CA . 36775 1 79 . 1 . 1 13 13 ASP CB C 13 46.858 0.003 . 1 . . . . A 13 ASP CB . 36775 1 80 . 1 . 1 13 13 ASP N N 15 129.200 0.000 . 1 . . . . A 13 ASP N . 36775 1 81 . 1 . 1 14 14 ARG H H 1 7.116 0.003 . 1 . . . . A 14 ARG H . 36775 1 82 . 1 . 1 14 14 ARG HA H 1 4.932 0.003 . 1 . . . . A 14 ARG HA . 36775 1 83 . 1 . 1 14 14 ARG HB2 H 1 2.013 0.000 . . . . . . A 14 ARG HB2 . 36775 1 84 . 1 . 1 14 14 ARG HB3 H 1 1.930 0.001 . . . . . . A 14 ARG HB3 . 36775 1 85 . 1 . 1 14 14 ARG HD2 H 1 3.203 0.001 . . . . . . A 14 ARG HD2 . 36775 1 86 . 1 . 1 14 14 ARG HD3 H 1 3.048 0.002 . . . . . . A 14 ARG HD3 . 36775 1 87 . 1 . 1 14 14 ARG HG2 H 1 1.579 0.001 . . . . . . A 14 ARG HG2 . 36775 1 88 . 1 . 1 14 14 ARG HG3 H 1 1.488 0.001 . . . . . . A 14 ARG HG3 . 36775 1 89 . 1 . 1 14 14 ARG CA C 13 54.812 0.002 . 1 . . . . A 14 ARG CA . 36775 1 90 . 1 . 1 14 14 ARG CB C 13 31.117 0.002 . 1 . . . . A 14 ARG CB . 36775 1 91 . 1 . 1 14 14 ARG CD C 13 43.079 0.000 . 1 . . . . A 14 ARG CD . 36775 1 92 . 1 . 1 14 14 ARG CG C 13 26.045 0.000 . 1 . . . . A 14 ARG CG . 36775 1 93 . 1 . 1 14 14 ARG N N 15 108.562 0.000 . 1 . . . . A 14 ARG N . 36775 1 94 . 1 . 1 15 15 SER H H 1 8.366 0.005 . 1 . . . . A 15 SER H . 36775 1 95 . 1 . 1 15 15 SER HA H 1 5.710 0.002 . 1 . . . . A 15 SER HA . 36775 1 96 . 1 . 1 15 15 SER HB2 H 1 3.911 0.004 . . . . . . A 15 SER HB2 . 36775 1 97 . 1 . 1 15 15 SER HB3 H 1 3.791 0.003 . . . . . . A 15 SER HB3 . 36775 1 98 . 1 . 1 15 15 SER CA C 13 57.090 0.002 . 1 . . . . A 15 SER CA . 36775 1 99 . 1 . 1 15 15 SER CB C 13 65.646 0.002 . 1 . . . . A 15 SER CB . 36775 1 100 . 1 . 1 15 15 SER N N 15 110.658 0.000 . 1 . . . . A 15 SER N . 36775 1 101 . 1 . 1 16 16 VAL H H 1 9.110 0.003 . 1 . . . . A 16 VAL H . 36775 1 102 . 1 . 1 16 16 VAL HA H 1 4.590 0.002 . 1 . . . . A 16 VAL HA . 36775 1 103 . 1 . 1 16 16 VAL HB H 1 2.393 0.000 . 1 . . . . A 16 VAL HB . 36775 1 104 . 1 . 1 16 16 VAL HG11 H 1 1.009 0.001 . . . . . . A 16 VAL HG11 . 36775 1 105 . 1 . 1 16 16 VAL HG12 H 1 1.009 0.001 . . . . . . A 16 VAL HG12 . 36775 1 106 . 1 . 1 16 16 VAL HG13 H 1 1.009 0.001 . . . . . . A 16 VAL HG13 . 36775 1 107 . 1 . 1 16 16 VAL HG21 H 1 0.903 0.001 . . . . . . A 16 VAL HG21 . 36775 1 108 . 1 . 1 16 16 VAL HG22 H 1 0.903 0.001 . . . . . . A 16 VAL HG22 . 36775 1 109 . 1 . 1 16 16 VAL HG23 H 1 0.903 0.001 . . . . . . A 16 VAL HG23 . 36775 1 110 . 1 . 1 16 16 VAL CA C 13 58.800 0.003 . 1 . . . . A 16 VAL CA . 36775 1 111 . 1 . 1 16 16 VAL CB C 13 36.457 0.003 . 1 . . . . A 16 VAL CB . 36775 1 112 . 1 . 1 16 16 VAL CG1 C 13 21.995 0.000 . . . . . . A 16 VAL CG1 . 36775 1 113 . 1 . 1 16 16 VAL CG2 C 13 18.828 0.000 . . . . . . A 16 VAL CG2 . 36775 1 114 . 1 . 1 16 16 VAL N N 15 112.526 0.000 . 1 . . . . A 16 VAL N . 36775 1 115 . 1 . 1 17 17 CYS H H 1 8.650 0.004 . 1 . . . . A 17 CYS H . 36775 1 116 . 1 . 1 17 17 CYS HA H 1 5.239 0.002 . 1 . . . . A 17 CYS HA . 36775 1 117 . 1 . 1 17 17 CYS HB2 H 1 3.062 0.000 . . . . . . A 17 CYS HB2 . 36775 1 118 . 1 . 1 17 17 CYS HB3 H 1 2.716 0.001 . . . . . . A 17 CYS HB3 . 36775 1 119 . 1 . 1 17 17 CYS CA C 13 53.559 0.004 . 1 . . . . A 17 CYS CA . 36775 1 120 . 1 . 1 17 17 CYS CB C 13 37.263 0.001 . 1 . . . . A 17 CYS CB . 36775 1 121 . 1 . 1 17 17 CYS N N 15 119.494 0.000 . 1 . . . . A 17 CYS N . 36775 1 122 . 1 . 1 18 18 TYR H H 1 8.873 0.005 . 1 . . . . A 18 TYR H . 36775 1 123 . 1 . 1 18 18 TYR HA H 1 4.496 0.002 . 1 . . . . A 18 TYR HA . 36775 1 124 . 1 . 1 18 18 TYR HB2 H 1 2.877 0.000 . . . . . . A 18 TYR HB2 . 36775 1 125 . 1 . 1 18 18 TYR HB3 H 1 2.478 0.000 . . . . . . A 18 TYR HB3 . 36775 1 126 . 1 . 1 18 18 TYR CA C 13 58.369 0.001 . 1 . . . . A 18 TYR CA . 36775 1 127 . 1 . 1 18 18 TYR CB C 13 41.250 0.000 . 1 . . . . A 18 TYR CB . 36775 1 128 . 1 . 1 18 18 TYR N N 15 129.791 0.000 . 1 . . . . A 18 TYR N . 36775 1 129 . 1 . 1 19 19 LYS H H 1 7.202 0.003 . 1 . . . . A 19 LYS H . 36775 1 130 . 1 . 1 19 19 LYS HA H 1 5.010 0.003 . 1 . . . . A 19 LYS HA . 36775 1 131 . 1 . 1 19 19 LYS HB2 H 1 1.958 0.002 . . . . . . A 19 LYS HB2 . 36775 1 132 . 1 . 1 19 19 LYS HB3 H 1 1.845 0.004 . . . . . . A 19 LYS HB3 . 36775 1 133 . 1 . 1 19 19 LYS HD2 H 1 1.732 0.001 . . . . . . A 19 LYS HD2 . 36775 1 134 . 1 . 1 19 19 LYS HD3 H 1 1.655 0.000 . . . . . . A 19 LYS HD3 . 36775 1 135 . 1 . 1 19 19 LYS HE2 H 1 2.839 0.000 . . . . . . A 19 LYS HE2 . 36775 1 136 . 1 . 1 19 19 LYS HE3 H 1 2.697 0.004 . . . . . . A 19 LYS HE3 . 36775 1 137 . 1 . 1 19 19 LYS HG2 H 1 1.502 0.000 . . . . . . A 19 LYS HG2 . 36775 1 138 . 1 . 1 19 19 LYS HG3 H 1 1.415 0.001 . . . . . . A 19 LYS HG3 . 36775 1 139 . 1 . 1 19 19 LYS CA C 13 53.370 0.002 . 1 . . . . A 19 LYS CA . 36775 1 140 . 1 . 1 19 19 LYS CB C 13 32.615 0.002 . 1 . . . . A 19 LYS CB . 36775 1 141 . 1 . 1 19 19 LYS CD C 13 27.190 0.000 . 1 . . . . A 19 LYS CD . 36775 1 142 . 1 . 1 19 19 LYS CE C 13 39.634 0.000 . 1 . . . . A 19 LYS CE . 36775 1 143 . 1 . 1 19 19 LYS CG C 13 25.526 0.000 . 1 . . . . A 19 LYS CG . 36775 1 144 . 1 . 1 19 19 LYS N N 15 108.562 0.000 . 1 . . . . A 19 LYS N . 36775 1 145 . 1 . 1 20 20 TYR H H 1 8.818 0.007 . 1 . . . . A 20 TYR H . 36775 1 146 . 1 . 1 20 20 TYR HA H 1 5.167 0.004 . 1 . . . . A 20 TYR HA . 36775 1 147 . 1 . 1 20 20 TYR HB2 H 1 2.955 0.000 . . . . . . A 20 TYR HB2 . 36775 1 148 . 1 . 1 20 20 TYR HB3 H 1 2.795 0.001 . . . . . . A 20 TYR HB3 . 36775 1 149 . 1 . 1 20 20 TYR CA C 13 57.002 0.003 . 1 . . . . A 20 TYR CA . 36775 1 150 . 1 . 1 20 20 TYR CB C 13 41.273 0.000 . 1 . . . . A 20 TYR CB . 36775 1 151 . 1 . 1 20 20 TYR N N 15 122.658 0.000 . 1 . . . . A 20 TYR N . 36775 1 152 . 1 . 1 21 21 ASN H H 1 8.376 0.004 . 1 . . . . A 21 ASN H . 36775 1 153 . 1 . 1 21 21 ASN HA H 1 4.475 0.004 . 1 . . . . A 21 ASN HA . 36775 1 154 . 1 . 1 21 21 ASN HB2 H 1 2.976 0.004 . . . . . . A 21 ASN HB2 . 36775 1 155 . 1 . 1 21 21 ASN HB3 H 1 2.384 0.004 . . . . . . A 21 ASN HB3 . 36775 1 156 . 1 . 1 21 21 ASN CA C 13 51.970 0.001 . 1 . . . . A 21 ASN CA . 36775 1 157 . 1 . 1 21 21 ASN CB C 13 39.133 0.003 . 1 . . . . A 21 ASN CB . 36775 1 158 . 1 . 1 21 21 ASN N N 15 123.050 0.000 . 1 . . . . A 21 ASN N . 36775 1 159 . 1 . 1 22 22 THR H H 1 7.446 0.004 . 1 . . . . A 22 THR H . 36775 1 160 . 1 . 1 22 22 THR HA H 1 4.797 0.002 . 1 . . . . A 22 THR HA . 36775 1 161 . 1 . 1 22 22 THR HB H 1 3.984 0.001 . 1 . . . . A 22 THR HB . 36775 1 162 . 1 . 1 22 22 THR HG21 H 1 1.065 0.001 . 1 . . . . A 22 THR HG21 . 36775 1 163 . 1 . 1 22 22 THR HG22 H 1 1.065 0.001 . 1 . . . . A 22 THR HG22 . 36775 1 164 . 1 . 1 22 22 THR HG23 H 1 1.065 0.001 . 1 . . . . A 22 THR HG23 . 36775 1 165 . 1 . 1 22 22 THR CA C 13 62.588 0.002 . 1 . . . . A 22 THR CA . 36775 1 166 . 1 . 1 22 22 THR CB C 13 73.165 0.002 . 1 . . . . A 22 THR CB . 36775 1 167 . 1 . 1 22 22 THR CG2 C 13 20.869 0.000 . 1 . . . . A 22 THR CG2 . 36775 1 168 . 1 . 1 22 22 THR N N 15 113.936 0.000 . 1 . . . . A 22 THR N . 36775 1 169 . 1 . 1 23 23 ILE H H 1 8.696 0.003 . 1 . . . . A 23 ILE H . 36775 1 170 . 1 . 1 23 23 ILE HA H 1 4.497 0.002 . 1 . . . . A 23 ILE HA . 36775 1 171 . 1 . 1 23 23 ILE HB H 1 1.756 0.000 . 1 . . . . A 23 ILE HB . 36775 1 172 . 1 . 1 23 23 ILE HD11 H 1 0.724 0.000 . 1 . . . . A 23 ILE HD11 . 36775 1 173 . 1 . 1 23 23 ILE HD12 H 1 0.724 0.000 . 1 . . . . A 23 ILE HD12 . 36775 1 174 . 1 . 1 23 23 ILE HD13 H 1 0.724 0.000 . 1 . . . . A 23 ILE HD13 . 36775 1 175 . 1 . 1 23 23 ILE HG12 H 1 1.551 0.003 . . . . . . A 23 ILE HG12 . 36775 1 176 . 1 . 1 23 23 ILE HG13 H 1 1.454 0.003 . . . . . . A 23 ILE HG13 . 36775 1 177 . 1 . 1 23 23 ILE HG21 H 1 0.812 0.001 . 1 . . . . A 23 ILE HG21 . 36775 1 178 . 1 . 1 23 23 ILE HG22 H 1 0.812 0.001 . 1 . . . . A 23 ILE HG22 . 36775 1 179 . 1 . 1 23 23 ILE HG23 H 1 0.812 0.001 . 1 . . . . A 23 ILE HG23 . 36775 1 180 . 1 . 1 23 23 ILE CA C 13 61.114 0.004 . 1 . . . . A 23 ILE CA . 36775 1 181 . 1 . 1 23 23 ILE CB C 13 40.225 0.002 . 1 . . . . A 23 ILE CB . 36775 1 182 . 1 . 1 23 23 ILE CD1 C 13 14.739 0.000 . 1 . . . . A 23 ILE CD1 . 36775 1 183 . 1 . 1 23 23 ILE CG1 C 13 28.184 0.000 . 1 . . . . A 23 ILE CG1 . 36775 1 184 . 1 . 1 23 23 ILE CG2 C 13 17.946 0.000 . 1 . . . . A 23 ILE CG2 . 36775 1 185 . 1 . 1 23 23 ILE N N 15 127.053 0.000 . 1 . . . . A 23 ILE N . 36775 1 186 . 1 . 1 24 24 ARG H H 1 9.178 0.004 . 1 . . . . A 24 ARG H . 36775 1 187 . 1 . 1 24 24 ARG HA H 1 5.126 0.001 . 1 . . . . A 24 ARG HA . 36775 1 188 . 1 . 1 24 24 ARG HB2 H 1 2.006 0.001 . . . . . . A 24 ARG HB2 . 36775 1 189 . 1 . 1 24 24 ARG HB3 H 1 1.664 0.001 . . . . . . A 24 ARG HB3 . 36775 1 190 . 1 . 1 24 24 ARG HD2 H 1 2.969 0.001 . . . . . . A 24 ARG HD2 . 36775 1 191 . 1 . 1 24 24 ARG HD3 H 1 2.873 0.000 . . . . . . A 24 ARG HD3 . 36775 1 192 . 1 . 1 24 24 ARG HG2 H 1 1.476 0.002 . . . . . . A 24 ARG HG2 . 36775 1 193 . 1 . 1 24 24 ARG HG3 H 1 1.358 0.001 . . . . . . A 24 ARG HG3 . 36775 1 194 . 1 . 1 24 24 ARG CA C 13 55.061 0.002 . 1 . . . . A 24 ARG CA . 36775 1 195 . 1 . 1 24 24 ARG CB C 13 33.762 0.004 . 1 . . . . A 24 ARG CB . 36775 1 196 . 1 . 1 24 24 ARG CD C 13 43.990 0.000 . 1 . . . . A 24 ARG CD . 36775 1 197 . 1 . 1 24 24 ARG CG C 13 25.919 0.000 . 1 . . . . A 24 ARG CG . 36775 1 198 . 1 . 1 24 24 ARG N N 15 128.650 0.000 . 1 . . . . A 24 ARG N . 36775 1 199 . 1 . 1 25 25 ARG H H 1 8.943 0.005 . 1 . . . . A 25 ARG H . 36775 1 200 . 1 . 1 25 25 ARG HA H 1 5.068 0.004 . 1 . . . . A 25 ARG HA . 36775 1 201 . 1 . 1 25 25 ARG HB2 H 1 1.954 0.000 . . . . . . A 25 ARG HB2 . 36775 1 202 . 1 . 1 25 25 ARG HB3 H 1 1.808 0.000 . . . . . . A 25 ARG HB3 . 36775 1 203 . 1 . 1 25 25 ARG HD2 H 1 3.224 0.002 . . . . . . A 25 ARG HD2 . 36775 1 204 . 1 . 1 25 25 ARG HD3 H 1 3.165 0.001 . . . . . . A 25 ARG HD3 . 36775 1 205 . 1 . 1 25 25 ARG HG2 H 1 1.512 0.000 . . . . . . A 25 ARG HG2 . 36775 1 206 . 1 . 1 25 25 ARG HG3 H 1 1.393 0.003 . . . . . . A 25 ARG HG3 . 36775 1 207 . 1 . 1 25 25 ARG CA C 13 53.659 0.002 . 1 . . . . A 25 ARG CA . 36775 1 208 . 1 . 1 25 25 ARG CB C 13 32.404 0.004 . 1 . . . . A 25 ARG CB . 36775 1 209 . 1 . 1 25 25 ARG CD C 13 42.799 0.000 . 1 . . . . A 25 ARG CD . 36775 1 210 . 1 . 1 25 25 ARG CG C 13 27.170 0.000 . 1 . . . . A 25 ARG CG . 36775 1 211 . 1 . 1 25 25 ARG N N 15 126.220 0.000 . 1 . . . . A 25 ARG N . 36775 1 212 . 1 . 1 26 26 PHE H H 1 8.960 0.005 . 1 . . . . A 26 PHE H . 36775 1 213 . 1 . 1 26 26 PHE HA H 1 5.161 0.003 . 1 . . . . A 26 PHE HA . 36775 1 214 . 1 . 1 26 26 PHE HB2 H 1 2.971 0.001 . . . . . . A 26 PHE HB2 . 36775 1 215 . 1 . 1 26 26 PHE HB3 H 1 2.857 0.000 . . . . . . A 26 PHE HB3 . 36775 1 216 . 1 . 1 26 26 PHE CA C 13 57.262 0.003 . 1 . . . . A 26 PHE CA . 36775 1 217 . 1 . 1 26 26 PHE CB C 13 41.380 0.004 . 1 . . . . A 26 PHE CB . 36775 1 218 . 1 . 1 26 26 PHE N N 15 123.743 0.000 . 1 . . . . A 26 PHE N . 36775 1 219 . 1 . 1 27 27 CYS H H 1 8.770 0.005 . 1 . . . . A 27 CYS H . 36775 1 220 . 1 . 1 27 27 CYS HA H 1 5.470 0.003 . 1 . . . . A 27 CYS HA . 36775 1 221 . 1 . 1 27 27 CYS HB2 H 1 3.046 0.001 . . . . . . A 27 CYS HB2 . 36775 1 222 . 1 . 1 27 27 CYS HB3 H 1 2.958 0.000 . . . . . . A 27 CYS HB3 . 36775 1 223 . 1 . 1 27 27 CYS CA C 13 55.693 0.002 . 1 . . . . A 27 CYS CA . 36775 1 224 . 1 . 1 27 27 CYS CB C 13 46.993 0.001 . 1 . . . . A 27 CYS CB . 36775 1 225 . 1 . 1 27 27 CYS N N 15 123.077 0.000 . 1 . . . . A 27 CYS N . 36775 1 226 . 1 . 1 28 28 VAL H H 1 9.253 0.004 . 1 . . . . A 28 VAL H . 36775 1 227 . 1 . 1 28 28 VAL HA H 1 4.704 0.000 . 1 . . . . A 28 VAL HA . 36775 1 228 . 1 . 1 28 28 VAL HB H 1 2.167 0.000 . 1 . . . . A 28 VAL HB . 36775 1 229 . 1 . 1 28 28 VAL HG11 H 1 0.897 0.000 . . . . . . A 28 VAL HG11 . 36775 1 230 . 1 . 1 28 28 VAL HG12 H 1 0.897 0.000 . . . . . . A 28 VAL HG12 . 36775 1 231 . 1 . 1 28 28 VAL HG13 H 1 0.897 0.000 . . . . . . A 28 VAL HG13 . 36775 1 232 . 1 . 1 28 28 VAL HG21 H 1 0.808 0.000 . . . . . . A 28 VAL HG21 . 36775 1 233 . 1 . 1 28 28 VAL HG22 H 1 0.808 0.000 . . . . . . A 28 VAL HG22 . 36775 1 234 . 1 . 1 28 28 VAL HG23 H 1 0.808 0.000 . . . . . . A 28 VAL HG23 . 36775 1 235 . 1 . 1 28 28 VAL CA C 13 59.665 0.004 . 1 . . . . A 28 VAL CA . 36775 1 236 . 1 . 1 28 28 VAL CB C 13 35.632 0.001 . 1 . . . . A 28 VAL CB . 36775 1 237 . 1 . 1 28 28 VAL CG1 C 13 21.619 0.000 . . . . . . A 28 VAL CG1 . 36775 1 238 . 1 . 1 28 28 VAL CG2 C 13 19.076 0.000 . . . . . . A 28 VAL CG2 . 36775 1 239 . 1 . 1 28 28 VAL N N 15 114.503 0.001 . 1 . . . . A 28 VAL N . 36775 1 240 . 1 . 1 29 29 ALA H H 1 8.737 0.003 . 1 . . . . A 29 ALA H . 36775 1 241 . 1 . 1 29 29 ALA HA H 1 4.661 0.000 . 1 . . . . A 29 ALA HA . 36775 1 242 . 1 . 1 29 29 ALA HB1 H 1 1.475 0.000 . 1 . . . . A 29 ALA HB1 . 36775 1 243 . 1 . 1 29 29 ALA HB2 H 1 1.475 0.000 . 1 . . . . A 29 ALA HB2 . 36775 1 244 . 1 . 1 29 29 ALA HB3 H 1 1.475 0.000 . 1 . . . . A 29 ALA HB3 . 36775 1 245 . 1 . 1 29 29 ALA CA C 13 51.140 0.003 . 1 . . . . A 29 ALA CA . 36775 1 246 . 1 . 1 29 29 ALA CB C 13 21.213 0.002 . 1 . . . . A 29 ALA CB . 36775 1 247 . 1 . 1 29 29 ALA N N 15 126.469 0.000 . 1 . . . . A 29 ALA N . 36775 1 248 . 1 . 1 30 30 ASN H H 1 8.021 0.004 . 1 . . . . A 30 ASN H . 36775 1 249 . 1 . 1 30 30 ASN HA H 1 4.813 0.006 . 1 . . . . A 30 ASN HA . 36775 1 250 . 1 . 1 30 30 ASN HB2 H 1 2.829 0.000 . . . . . . A 30 ASN HB2 . 36775 1 251 . 1 . 1 30 30 ASN HB3 H 1 2.617 0.001 . . . . . . A 30 ASN HB3 . 36775 1 252 . 1 . 1 30 30 ASN CA C 13 50.561 0.003 . 1 . . . . A 30 ASN CA . 36775 1 253 . 1 . 1 30 30 ASN CB C 13 40.952 0.000 . 1 . . . . A 30 ASN CB . 36775 1 254 . 1 . 1 30 30 ASN N N 15 116.620 0.000 . 1 . . . . A 30 ASN N . 36775 1 255 . 1 . 1 31 31 PRO HA H 1 4.414 0.003 . 1 . . . . A 31 PRO HA . 36775 1 256 . 1 . 1 31 31 PRO HB2 H 1 1.966 0.000 . . . . . . A 31 PRO HB2 . 36775 1 257 . 1 . 1 31 31 PRO HB3 H 1 1.867 0.000 . . . . . . A 31 PRO HB3 . 36775 1 258 . 1 . 1 31 31 PRO HD2 H 1 3.693 0.000 . . . . . . A 31 PRO HD2 . 36775 1 259 . 1 . 1 31 31 PRO HD3 H 1 3.827 0.000 . . . . . . A 31 PRO HD3 . 36775 1 260 . 1 . 1 31 31 PRO HG2 H 1 1.777 0.000 . . . . . . A 31 PRO HG2 . 36775 1 261 . 1 . 1 31 31 PRO HG3 H 1 1.675 0.000 . . . . . . A 31 PRO HG3 . 36775 1 262 . 1 . 1 31 31 PRO CA C 13 62.310 0.000 . 1 . . . . A 31 PRO CA . 36775 1 263 . 1 . 1 31 31 PRO CB C 13 30.482 0.000 . 1 . . . . A 31 PRO CB . 36775 1 264 . 1 . 1 31 31 PRO CD C 13 51.365 0.000 . 1 . . . . A 31 PRO CD . 36775 1 265 . 1 . 1 32 32 ARG H H 1 8.910 0.003 . 1 . . . . A 32 ARG H . 36775 1 266 . 1 . 1 32 32 ARG HA H 1 4.285 0.003 . 1 . . . . A 32 ARG HA . 36775 1 267 . 1 . 1 32 32 ARG HB2 H 1 1.784 0.002 . . . . . . A 32 ARG HB2 . 36775 1 268 . 1 . 1 32 32 ARG HB3 H 1 1.657 0.000 . . . . . . A 32 ARG HB3 . 36775 1 269 . 1 . 1 32 32 ARG HD2 H 1 3.160 0.000 . . . . . . A 32 ARG HD2 . 36775 1 270 . 1 . 1 32 32 ARG HD3 H 1 2.933 0.000 . . . . . . A 32 ARG HD3 . 36775 1 271 . 1 . 1 32 32 ARG HG2 H 1 1.323 0.001 . . . . . . A 32 ARG HG2 . 36775 1 272 . 1 . 1 32 32 ARG HG3 H 1 1.272 0.000 . . . . . . A 32 ARG HG3 . 36775 1 273 . 1 . 1 32 32 ARG CA C 13 56.721 0.001 . 1 . . . . A 32 ARG CA . 36775 1 274 . 1 . 1 32 32 ARG CB C 13 29.618 0.002 . 1 . . . . A 32 ARG CB . 36775 1 275 . 1 . 1 32 32 ARG CD C 13 43.226 0.000 . 1 . . . . A 32 ARG CD . 36775 1 276 . 1 . 1 32 32 ARG CG C 13 27.388 0.000 . 1 . . . . A 32 ARG CG . 36775 1 277 . 1 . 1 32 32 ARG N N 15 128.050 0.000 . 1 . . . . A 32 ARG N . 36775 1 278 . 1 . 1 33 33 SER H H 1 7.818 0.005 . 1 . . . . A 33 SER H . 36775 1 279 . 1 . 1 33 33 SER HA H 1 4.505 0.001 . 1 . . . . A 33 SER HA . 36775 1 280 . 1 . 1 33 33 SER HB2 H 1 3.958 0.001 . . . . . . A 33 SER HB2 . 36775 1 281 . 1 . 1 33 33 SER HB3 H 1 3.846 0.005 . . . . . . A 33 SER HB3 . 36775 1 282 . 1 . 1 33 33 SER CA C 13 58.079 0.002 . 1 . . . . A 33 SER CA . 36775 1 283 . 1 . 1 33 33 SER CB C 13 64.568 0.000 . 1 . . . . A 33 SER CB . 36775 1 284 . 1 . 1 33 33 SER N N 15 114.100 0.000 . 1 . . . . A 33 SER N . 36775 1 285 . 1 . 1 34 34 ASN H H 1 8.969 0.004 . 1 . . . . A 34 ASN H . 36775 1 286 . 1 . 1 34 34 ASN HA H 1 4.681 0.002 . 1 . . . . A 34 ASN HA . 36775 1 287 . 1 . 1 34 34 ASN HB2 H 1 2.928 0.001 . . . . . . A 34 ASN HB2 . 36775 1 288 . 1 . 1 34 34 ASN HB3 H 1 2.792 0.000 . . . . . . A 34 ASN HB3 . 36775 1 289 . 1 . 1 34 34 ASN CA C 13 53.751 0.003 . 1 . . . . A 34 ASN CA . 36775 1 290 . 1 . 1 34 34 ASN CB C 13 38.057 0.004 . 1 . . . . A 34 ASN CB . 36775 1 291 . 1 . 1 34 34 ASN N N 15 121.490 0.000 . 1 . . . . A 34 ASN N . 36775 1 292 . 1 . 1 35 35 ARG H H 1 8.103 0.005 . 1 . . . . A 35 ARG H . 36775 1 293 . 1 . 1 35 35 ARG HA H 1 4.505 0.003 . 1 . . . . A 35 ARG HA . 36775 1 294 . 1 . 1 35 35 ARG HB2 H 1 1.886 0.001 . . . . . . A 35 ARG HB2 . 36775 1 295 . 1 . 1 35 35 ARG HB3 H 1 1.810 0.000 . . . . . . A 35 ARG HB3 . 36775 1 296 . 1 . 1 35 35 ARG HD2 H 1 3.234 0.002 . . . . . . A 35 ARG HD2 . 36775 1 297 . 1 . 1 35 35 ARG HD3 H 1 3.149 0.003 . . . . . . A 35 ARG HD3 . 36775 1 298 . 1 . 1 35 35 ARG HG2 H 1 1.652 0.000 . . . . . . A 35 ARG HG2 . 36775 1 299 . 1 . 1 35 35 ARG HG3 H 1 1.566 0.000 . . . . . . A 35 ARG HG3 . 36775 1 300 . 1 . 1 35 35 ARG CA C 13 55.577 0.012 . 1 . . . . A 35 ARG CA . 36775 1 301 . 1 . 1 35 35 ARG CB C 13 30.696 0.006 . 1 . . . . A 35 ARG CB . 36775 1 302 . 1 . 1 35 35 ARG CD C 13 43.438 0.000 . 1 . . . . A 35 ARG CD . 36775 1 303 . 1 . 1 35 35 ARG CG C 13 26.894 0.000 . 1 . . . . A 35 ARG CG . 36775 1 304 . 1 . 1 35 35 ARG N N 15 120.240 0.000 . 1 . . . . A 35 ARG N . 36775 1 305 . 1 . 1 36 36 GLU H H 1 8.048 0.003 . 1 . . . . A 36 GLU H . 36775 1 306 . 1 . 1 36 36 GLU HA H 1 4.424 0.001 . 1 . . . . A 36 GLU HA . 36775 1 307 . 1 . 1 36 36 GLU HB2 H 1 2.150 0.000 . . . . . . A 36 GLU HB2 . 36775 1 308 . 1 . 1 36 36 GLU HB3 H 1 1.990 0.001 . . . . . . A 36 GLU HB3 . 36775 1 309 . 1 . 1 36 36 GLU HG2 H 1 2.410 0.001 . . . . . . A 36 GLU HG2 . 36775 1 310 . 1 . 1 36 36 GLU HG3 H 1 2.232 0.000 . . . . . . A 36 GLU HG3 . 36775 1 311 . 1 . 1 36 36 GLU CA C 13 55.821 0.003 . 1 . . . . A 36 GLU CA . 36775 1 312 . 1 . 1 36 36 GLU CB C 13 31.309 0.004 . 1 . . . . A 36 GLU CB . 36775 1 313 . 1 . 1 36 36 GLU CG C 13 37.462 0.000 . 1 . . . . A 36 GLU CG . 36775 1 314 . 1 . 1 36 36 GLU N N 15 122.846 0.000 . 1 . . . . A 36 GLU N . 36775 1 315 . 1 . 1 37 37 ASP H H 1 8.767 0.004 . 1 . . . . A 37 ASP H . 36775 1 316 . 1 . 1 37 37 ASP HA H 1 4.623 0.006 . 1 . . . . A 37 ASP HA . 36775 1 317 . 1 . 1 37 37 ASP HB2 H 1 2.433 0.016 . . . . . . A 37 ASP HB2 . 36775 1 318 . 1 . 1 37 37 ASP HB3 H 1 2.593 0.001 . . . . . . A 37 ASP HB3 . 36775 1 319 . 1 . 1 37 37 ASP CA C 13 55.010 0.004 . 1 . . . . A 37 ASP CA . 36775 1 320 . 1 . 1 37 37 ASP CB C 13 44.893 0.004 . 1 . . . . A 37 ASP CB . 36775 1 321 . 1 . 1 37 37 ASP N N 15 124.550 0.000 . 1 . . . . A 37 ASP N . 36775 1 322 . 1 . 1 38 38 ILE H H 1 8.117 0.003 . 1 . . . . A 38 ILE H . 36775 1 323 . 1 . 1 38 38 ILE HA H 1 4.536 0.002 . 1 . . . . A 38 ILE HA . 36775 1 324 . 1 . 1 38 38 ILE HD11 H 1 0.740 0.003 . 1 . . . . A 38 ILE HD11 . 36775 1 325 . 1 . 1 38 38 ILE HD12 H 1 0.740 0.003 . 1 . . . . A 38 ILE HD12 . 36775 1 326 . 1 . 1 38 38 ILE HD13 H 1 0.740 0.003 . 1 . . . . A 38 ILE HD13 . 36775 1 327 . 1 . 1 38 38 ILE HG12 H 1 1.445 0.000 . . . . . . A 38 ILE HG12 . 36775 1 328 . 1 . 1 38 38 ILE HG13 H 1 1.337 0.001 . . . . . . A 38 ILE HG13 . 36775 1 329 . 1 . 1 38 38 ILE HG21 H 1 0.884 0.000 . 1 . . . . A 38 ILE HG21 . 36775 1 330 . 1 . 1 38 38 ILE HG22 H 1 0.884 0.000 . 1 . . . . A 38 ILE HG22 . 36775 1 331 . 1 . 1 38 38 ILE HG23 H 1 0.884 0.000 . 1 . . . . A 38 ILE HG23 . 36775 1 332 . 1 . 1 38 38 ILE CA C 13 60.604 0.006 . 1 . . . . A 38 ILE CA . 36775 1 333 . 1 . 1 38 38 ILE CB C 13 40.701 0.003 . 1 . . . . A 38 ILE CB . 36775 1 334 . 1 . 1 38 38 ILE CD1 C 13 14.184 0.000 . 1 . . . . A 38 ILE CD1 . 36775 1 335 . 1 . 1 38 38 ILE CG1 C 13 27.230 0.000 . 1 . . . . A 38 ILE CG1 . 36775 1 336 . 1 . 1 38 38 ILE CG2 C 13 17.488 0.000 . 1 . . . . A 38 ILE CG2 . 36775 1 337 . 1 . 1 38 38 ILE N N 15 125.776 0.000 . 1 . . . . A 38 ILE N . 36775 1 338 . 1 . 1 39 39 LYS H H 1 7.952 0.006 . 1 . . . . A 39 LYS H . 36775 1 339 . 1 . 1 39 39 LYS HA H 1 4.557 0.005 . 1 . . . . A 39 LYS HA . 36775 1 340 . 1 . 1 39 39 LYS HB2 H 1 1.717 0.001 . . . . . . A 39 LYS HB2 . 36775 1 341 . 1 . 1 39 39 LYS HB3 H 1 1.624 0.001 . . . . . . A 39 LYS HB3 . 36775 1 342 . 1 . 1 39 39 LYS HD2 H 1 1.531 0.000 . . . . . . A 39 LYS HD2 . 36775 1 343 . 1 . 1 39 39 LYS HD3 H 1 1.437 0.001 . . . . . . A 39 LYS HD3 . 36775 1 344 . 1 . 1 39 39 LYS HE2 H 1 3.118 0.001 . . . . . . A 39 LYS HE2 . 36775 1 345 . 1 . 1 39 39 LYS HE3 H 1 2.962 0.000 . . . . . . A 39 LYS HE3 . 36775 1 346 . 1 . 1 39 39 LYS HG2 H 1 1.360 0.003 . . . . . . A 39 LYS HG2 . 36775 1 347 . 1 . 1 39 39 LYS HG3 H 1 1.238 0.001 . . . . . . A 39 LYS HG3 . 36775 1 348 . 1 . 1 39 39 LYS CA C 13 55.138 0.005 . 1 . . . . A 39 LYS CA . 36775 1 349 . 1 . 1 39 39 LYS CB C 13 36.768 0.000 . 1 . . . . A 39 LYS CB . 36775 1 350 . 1 . 1 39 39 LYS N N 15 126.480 0.000 . 1 . . . . A 39 LYS N . 36775 1 351 . 1 . 1 40 40 ASN H H 1 7.570 0.003 . 1 . . . . A 40 ASN H . 36775 1 352 . 1 . 1 40 40 ASN HA H 1 4.473 0.004 . 1 . . . . A 40 ASN HA . 36775 1 353 . 1 . 1 40 40 ASN HB2 H 1 2.995 0.000 . . . . . . A 40 ASN HB2 . 36775 1 354 . 1 . 1 40 40 ASN HB3 H 1 2.360 0.002 . . . . . . A 40 ASN HB3 . 36775 1 355 . 1 . 1 40 40 ASN CA C 13 51.498 0.002 . 1 . . . . A 40 ASN CA . 36775 1 356 . 1 . 1 40 40 ASN CB C 13 39.878 0.001 . 1 . . . . A 40 ASN CB . 36775 1 357 . 1 . 1 40 40 ASN N N 15 116.044 0.020 . 1 . . . . A 40 ASN N . 36775 1 358 . 1 . 1 41 41 THR H H 1 9.457 0.005 . 1 . . . . A 41 THR H . 36775 1 359 . 1 . 1 41 41 THR HA H 1 4.826 0.001 . 1 . . . . A 41 THR HA . 36775 1 360 . 1 . 1 41 41 THR HB H 1 3.934 0.001 . 1 . . . . A 41 THR HB . 36775 1 361 . 1 . 1 41 41 THR HG21 H 1 1.223 0.003 . 1 . . . . A 41 THR HG21 . 36775 1 362 . 1 . 1 41 41 THR HG22 H 1 1.223 0.003 . 1 . . . . A 41 THR HG22 . 36775 1 363 . 1 . 1 41 41 THR HG23 H 1 1.223 0.003 . 1 . . . . A 41 THR HG23 . 36775 1 364 . 1 . 1 41 41 THR CA C 13 59.253 0.002 . 1 . . . . A 41 THR CA . 36775 1 365 . 1 . 1 41 41 THR CB C 13 71.915 0.000 . 1 . . . . A 41 THR CB . 36775 1 366 . 1 . 1 41 41 THR N N 15 119.320 0.000 . 1 . . . . A 41 THR N . 36775 1 367 . 1 . 1 42 42 PRO HA H 1 4.806 0.004 . 1 . . . . A 42 PRO HA . 36775 1 368 . 1 . 1 42 42 PRO HB2 H 1 2.415 0.000 . . . . . . A 42 PRO HB2 . 36775 1 369 . 1 . 1 42 42 PRO HB3 H 1 2.300 0.000 . . . . . . A 42 PRO HB3 . 36775 1 370 . 1 . 1 42 42 PRO HD2 H 1 3.818 0.000 . . . . . . A 42 PRO HD2 . 36775 1 371 . 1 . 1 42 42 PRO HD3 H 1 3.726 0.000 . . . . . . A 42 PRO HD3 . 36775 1 372 . 1 . 1 42 42 PRO HG2 H 1 2.125 0.000 . . . . . . A 42 PRO HG2 . 36775 1 373 . 1 . 1 42 42 PRO HG3 H 1 1.993 0.000 . . . . . . A 42 PRO HG3 . 36775 1 374 . 1 . 1 42 42 PRO CA C 13 62.815 0.009 . 1 . . . . A 42 PRO CA . 36775 1 375 . 1 . 1 42 42 PRO CB C 13 32.353 0.005 . 1 . . . . A 42 PRO CB . 36775 1 376 . 1 . 1 42 42 PRO CD C 13 51.544 0.000 . 1 . . . . A 42 PRO CD . 36775 1 377 . 1 . 1 42 42 PRO CG C 13 26.974 0.000 . 1 . . . . A 42 PRO CG . 36775 1 378 . 1 . 1 43 43 CYS H H 1 8.422 0.005 . 1 . . . . A 43 CYS H . 36775 1 379 . 1 . 1 43 43 CYS HA H 1 4.940 0.004 . 1 . . . . A 43 CYS HA . 36775 1 380 . 1 . 1 43 43 CYS HB2 H 1 2.496 0.000 . . . . . . A 43 CYS HB2 . 36775 1 381 . 1 . 1 43 43 CYS HB3 H 1 2.843 0.001 . . . . . . A 43 CYS HB3 . 36775 1 382 . 1 . 1 43 43 CYS CA C 13 52.549 0.002 . 1 . . . . A 43 CYS CA . 36775 1 383 . 1 . 1 43 43 CYS CB C 13 36.856 0.002 . 1 . . . . A 43 CYS CB . 36775 1 384 . 1 . 1 43 43 CYS N N 15 119.600 0.000 . 1 . . . . A 43 CYS N . 36775 1 385 . 1 . 1 44 44 ARG H H 1 8.837 0.003 . 1 . . . . A 44 ARG H . 36775 1 386 . 1 . 1 44 44 ARG HA H 1 4.287 0.003 . 1 . . . . A 44 ARG HA . 36775 1 387 . 1 . 1 44 44 ARG HB2 H 1 2.013 0.000 . . . . . . A 44 ARG HB2 . 36775 1 388 . 1 . 1 44 44 ARG HB3 H 1 1.732 0.002 . . . . . . A 44 ARG HB3 . 36775 1 389 . 1 . 1 44 44 ARG HD2 H 1 3.277 0.000 . . . . . . A 44 ARG HD2 . 36775 1 390 . 1 . 1 44 44 ARG HD3 H 1 3.206 0.002 . . . . . . A 44 ARG HD3 . 36775 1 391 . 1 . 1 44 44 ARG HG2 H 1 1.595 0.001 . . . . . . A 44 ARG HG2 . 36775 1 392 . 1 . 1 44 44 ARG HG3 H 1 1.510 0.001 . . . . . . A 44 ARG HG3 . 36775 1 393 . 1 . 1 44 44 ARG CA C 13 56.995 0.008 . 1 . . . . A 44 ARG CA . 36775 1 394 . 1 . 1 44 44 ARG CB C 13 31.778 0.004 . 1 . . . . A 44 ARG CB . 36775 1 395 . 1 . 1 44 44 ARG CD C 13 43.694 0.000 . 1 . . . . A 44 ARG CD . 36775 1 396 . 1 . 1 44 44 ARG CG C 13 28.137 0.000 . 1 . . . . A 44 ARG CG . 36775 1 397 . 1 . 1 44 44 ARG N N 15 120.701 0.002 . 1 . . . . A 44 ARG N . 36775 1 398 . 1 . 1 45 45 ALA H H 1 8.448 0.004 . 1 . . . . A 45 ALA H . 36775 1 399 . 1 . 1 45 45 ALA HA H 1 4.680 0.000 . 1 . . . . A 45 ALA HA . 36775 1 400 . 1 . 1 45 45 ALA HB1 H 1 1.454 0.000 . 1 . . . . A 45 ALA HB1 . 36775 1 401 . 1 . 1 45 45 ALA HB2 H 1 1.454 0.000 . 1 . . . . A 45 ALA HB2 . 36775 1 402 . 1 . 1 45 45 ALA HB3 H 1 1.454 0.000 . 1 . . . . A 45 ALA HB3 . 36775 1 403 . 1 . 1 45 45 ALA CA C 13 54.831 0.001 . 1 . . . . A 45 ALA CA . 36775 1 404 . 1 . 1 45 45 ALA CB C 13 18.525 0.005 . 1 . . . . A 45 ALA CB . 36775 1 405 . 1 . 1 45 45 ALA N N 15 121.576 0.000 . 1 . . . . A 45 ALA N . 36775 1 406 . 1 . 1 46 46 ASP H H 1 8.377 0.004 . 1 . . . . A 46 ASP H . 36775 1 407 . 1 . 1 46 46 ASP HA H 1 4.576 0.000 . 1 . . . . A 46 ASP HA . 36775 1 408 . 1 . 1 46 46 ASP HB2 H 1 3.011 0.000 . . . . . . A 46 ASP HB2 . 36775 1 409 . 1 . 1 46 46 ASP HB3 H 1 2.724 0.000 . . . . . . A 46 ASP HB3 . 36775 1 410 . 1 . 1 46 46 ASP CA C 13 53.543 0.003 . 1 . . . . A 46 ASP CA . 36775 1 411 . 1 . 1 46 46 ASP CB C 13 39.505 0.003 . 1 . . . . A 46 ASP CB . 36775 1 412 . 1 . 1 46 46 ASP N N 15 114.828 0.005 . 1 . . . . A 46 ASP N . 36775 1 413 . 1 . 1 47 47 GLU H H 1 7.582 0.003 . 1 . . . . A 47 GLU H . 36775 1 414 . 1 . 1 47 47 GLU HA H 1 5.045 0.002 . 1 . . . . A 47 GLU HA . 36775 1 415 . 1 . 1 47 47 GLU HB2 H 1 1.883 0.000 . . . . . . A 47 GLU HB2 . 36775 1 416 . 1 . 1 47 47 GLU HB3 H 1 1.788 0.001 . . . . . . A 47 GLU HB3 . 36775 1 417 . 1 . 1 47 47 GLU HG2 H 1 2.279 0.001 . . . . . . A 47 GLU HG2 . 36775 1 418 . 1 . 1 47 47 GLU HG3 H 1 2.167 0.000 . . . . . . A 47 GLU HG3 . 36775 1 419 . 1 . 1 47 47 GLU CA C 13 54.375 0.005 . 1 . . . . A 47 GLU CA . 36775 1 420 . 1 . 1 47 47 GLU CB C 13 35.016 0.004 . 1 . . . . A 47 GLU CB . 36775 1 421 . 1 . 1 47 47 GLU CG C 13 36.286 0.000 . 1 . . . . A 47 GLU CG . 36775 1 422 . 1 . 1 47 47 GLU N N 15 117.630 0.000 . 1 . . . . A 47 GLU N . 36775 1 423 . 1 . 1 48 48 ILE H H 1 8.966 0.004 . 1 . . . . A 48 ILE H . 36775 1 424 . 1 . 1 48 48 ILE HA H 1 4.666 0.000 . 1 . . . . A 48 ILE HA . 36775 1 425 . 1 . 1 48 48 ILE HB H 1 1.868 0.000 . 1 . . . . A 48 ILE HB . 36775 1 426 . 1 . 1 48 48 ILE HD11 H 1 0.679 0.000 . 1 . . . . A 48 ILE HD11 . 36775 1 427 . 1 . 1 48 48 ILE HD12 H 1 0.679 0.000 . 1 . . . . A 48 ILE HD12 . 36775 1 428 . 1 . 1 48 48 ILE HD13 H 1 0.679 0.000 . 1 . . . . A 48 ILE HD13 . 36775 1 429 . 1 . 1 48 48 ILE HG12 H 1 1.214 0.000 . . . . . . A 48 ILE HG12 . 36775 1 430 . 1 . 1 48 48 ILE HG13 H 1 1.120 0.000 . . . . . . A 48 ILE HG13 . 36775 1 431 . 1 . 1 48 48 ILE HG21 H 1 0.932 0.000 . 1 . . . . A 48 ILE HG21 . 36775 1 432 . 1 . 1 48 48 ILE HG22 H 1 0.932 0.000 . 1 . . . . A 48 ILE HG22 . 36775 1 433 . 1 . 1 48 48 ILE HG23 H 1 0.932 0.000 . 1 . . . . A 48 ILE HG23 . 36775 1 434 . 1 . 1 48 48 ILE CA C 13 59.209 0.012 . 1 . . . . A 48 ILE CA . 36775 1 435 . 1 . 1 48 48 ILE CB C 13 42.724 0.002 . 1 . . . . A 48 ILE CB . 36775 1 436 . 1 . 1 48 48 ILE CD1 C 13 14.065 0.000 . 1 . . . . A 48 ILE CD1 . 36775 1 437 . 1 . 1 48 48 ILE CG1 C 13 27.181 0.000 . 1 . . . . A 48 ILE CG1 . 36775 1 438 . 1 . 1 48 48 ILE CG2 C 13 18.140 0.000 . 1 . . . . A 48 ILE CG2 . 36775 1 439 . 1 . 1 48 48 ILE N N 15 115.250 0.000 . 1 . . . . A 48 ILE N . 36775 1 440 . 1 . 1 49 49 CYS H H 1 8.414 0.005 . 1 . . . . A 49 CYS H . 36775 1 441 . 1 . 1 49 49 CYS HA H 1 5.061 0.003 . 1 . . . . A 49 CYS HA . 36775 1 442 . 1 . 1 49 49 CYS HB2 H 1 3.119 0.000 . . . . . . A 49 CYS HB2 . 36775 1 443 . 1 . 1 49 49 CYS HB3 H 1 2.936 0.001 . . . . . . A 49 CYS HB3 . 36775 1 444 . 1 . 1 49 49 CYS CA C 13 56.990 0.006 . 1 . . . . A 49 CYS CA . 36775 1 445 . 1 . 1 49 49 CYS CB C 13 39.048 0.007 . 1 . . . . A 49 CYS CB . 36775 1 446 . 1 . 1 49 49 CYS N N 15 123.200 0.000 . 1 . . . . A 49 CYS N . 36775 1 447 . 1 . 1 50 50 VAL H H 1 9.298 0.004 . 1 . . . . A 50 VAL H . 36775 1 448 . 1 . 1 50 50 VAL HA H 1 4.541 0.002 . 1 . . . . A 50 VAL HA . 36775 1 449 . 1 . 1 50 50 VAL HB H 1 1.999 0.000 . 1 . . . . A 50 VAL HB . 36775 1 450 . 1 . 1 50 50 VAL HG11 H 1 0.980 0.003 . . . . . . A 50 VAL HG11 . 36775 1 451 . 1 . 1 50 50 VAL HG12 H 1 0.980 0.003 . . . . . . A 50 VAL HG12 . 36775 1 452 . 1 . 1 50 50 VAL HG13 H 1 0.980 0.003 . . . . . . A 50 VAL HG13 . 36775 1 453 . 1 . 1 50 50 VAL HG21 H 1 0.865 0.006 . . . . . . A 50 VAL HG21 . 36775 1 454 . 1 . 1 50 50 VAL HG22 H 1 0.865 0.006 . . . . . . A 50 VAL HG22 . 36775 1 455 . 1 . 1 50 50 VAL HG23 H 1 0.865 0.006 . . . . . . A 50 VAL HG23 . 36775 1 456 . 1 . 1 50 50 VAL CA C 13 61.421 0.005 . 1 . . . . A 50 VAL CA . 36775 1 457 . 1 . 1 50 50 VAL CB C 13 35.215 0.003 . 1 . . . . A 50 VAL CB . 36775 1 458 . 1 . 1 50 50 VAL CG1 C 13 20.912 0.000 . . . . . . A 50 VAL CG1 . 36775 1 459 . 1 . 1 50 50 VAL CG2 C 13 20.922 0.000 . . . . . . A 50 VAL CG2 . 36775 1 460 . 1 . 1 50 50 VAL N N 15 128.203 0.008 . 1 . . . . A 50 VAL N . 36775 1 461 . 1 . 1 51 51 GLN H H 1 8.800 0.003 . 1 . . . . A 51 GLN H . 36775 1 462 . 1 . 1 51 51 GLN HA H 1 5.303 0.004 . 1 . . . . A 51 GLN HA . 36775 1 463 . 1 . 1 51 51 GLN HB2 H 1 1.974 0.005 . . . . . . A 51 GLN HB2 . 36775 1 464 . 1 . 1 51 51 GLN HB3 H 1 2.055 0.006 . . . . . . A 51 GLN HB3 . 36775 1 465 . 1 . 1 51 51 GLN HG2 H 1 2.167 0.002 . . . . . . A 51 GLN HG2 . 36775 1 466 . 1 . 1 51 51 GLN HG3 H 1 2.324 0.005 . . . . . . A 51 GLN HG3 . 36775 1 467 . 1 . 1 51 51 GLN CA C 13 54.342 0.003 . 1 . . . . A 51 GLN CA . 36775 1 468 . 1 . 1 51 51 GLN CB C 13 32.658 0.004 . 1 . . . . A 51 GLN CB . 36775 1 469 . 1 . 1 51 51 GLN CG C 13 34.448 0.000 . 1 . . . . A 51 GLN CG . 36775 1 470 . 1 . 1 51 51 GLN N N 15 126.803 0.013 . 1 . . . . A 51 GLN N . 36775 1 471 . 1 . 1 52 52 ARG H H 1 9.079 0.006 . 1 . . . . A 52 ARG H . 36775 1 472 . 1 . 1 52 52 ARG HA H 1 4.752 0.003 . 1 . . . . A 52 ARG HA . 36775 1 473 . 1 . 1 52 52 ARG HB2 H 1 1.865 0.004 . . . . . . A 52 ARG HB2 . 36775 1 474 . 1 . 1 52 52 ARG HB3 H 1 1.711 0.002 . . . . . . A 52 ARG HB3 . 36775 1 475 . 1 . 1 52 52 ARG HD2 H 1 3.243 0.001 . . . . . . A 52 ARG HD2 . 36775 1 476 . 1 . 1 52 52 ARG HD3 H 1 3.164 0.003 . . . . . . A 52 ARG HD3 . 36775 1 477 . 1 . 1 52 52 ARG HG2 H 1 1.562 0.000 . . . . . . A 52 ARG HG2 . 36775 1 478 . 1 . 1 52 52 ARG HG3 H 1 1.486 0.002 . . . . . . A 52 ARG HG3 . 36775 1 479 . 1 . 1 52 52 ARG CA C 13 54.290 0.002 . 1 . . . . A 52 ARG CA . 36775 1 480 . 1 . 1 52 52 ARG CB C 13 33.082 0.003 . 1 . . . . A 52 ARG CB . 36775 1 481 . 1 . 1 52 52 ARG CD C 13 43.477 0.000 . 1 . . . . A 52 ARG CD . 36775 1 482 . 1 . 1 52 52 ARG CG C 13 26.830 0.000 . 1 . . . . A 52 ARG CG . 36775 1 483 . 1 . 1 52 52 ARG N N 15 124.600 0.021 . 1 . . . . A 52 ARG N . 36775 1 484 . 1 . 1 53 53 ASN H H 1 8.745 0.006 . 1 . . . . A 53 ASN H . 36775 1 485 . 1 . 1 53 53 ASN HA H 1 4.687 0.000 . 1 . . . . A 53 ASN HA . 36775 1 486 . 1 . 1 53 53 ASN HB2 H 1 2.768 0.000 . . . . . . A 53 ASN HB2 . 36775 1 487 . 1 . 1 53 53 ASN HB3 H 1 2.656 0.000 . . . . . . A 53 ASN HB3 . 36775 1 488 . 1 . 1 53 53 ASN CA C 13 52.770 0.004 . 1 . . . . A 53 ASN CA . 36775 1 489 . 1 . 1 53 53 ASN CB C 13 39.505 0.003 . 1 . . . . A 53 ASN CB . 36775 1 490 . 1 . 1 53 53 ASN N N 15 120.400 0.000 . 1 . . . . A 53 ASN N . 36775 1 491 . 1 . 1 54 54 LEU H H 1 8.659 0.003 . 1 . . . . A 54 LEU H . 36775 1 492 . 1 . 1 54 54 LEU HA H 1 4.654 0.000 . 1 . . . . A 54 LEU HA . 36775 1 493 . 1 . 1 54 54 LEU HB2 H 1 1.773 0.000 . . . . . . A 54 LEU HB2 . 36775 1 494 . 1 . 1 54 54 LEU HB3 H 1 1.646 0.000 . . . . . . A 54 LEU HB3 . 36775 1 495 . 1 . 1 54 54 LEU HD11 H 1 0.947 0.000 . . . . . . A 54 LEU HD11 . 36775 1 496 . 1 . 1 54 54 LEU HD12 H 1 0.947 0.000 . . . . . . A 54 LEU HD12 . 36775 1 497 . 1 . 1 54 54 LEU HD13 H 1 0.947 0.000 . . . . . . A 54 LEU HD13 . 36775 1 498 . 1 . 1 54 54 LEU HD21 H 1 0.763 0.000 . . . . . . A 54 LEU HD21 . 36775 1 499 . 1 . 1 54 54 LEU HD22 H 1 0.763 0.000 . . . . . . A 54 LEU HD22 . 36775 1 500 . 1 . 1 54 54 LEU HD23 H 1 0.763 0.000 . . . . . . A 54 LEU HD23 . 36775 1 501 . 1 . 1 54 54 LEU HG H 1 1.496 0.000 . 1 . . . . A 54 LEU HG . 36775 1 502 . 1 . 1 54 54 LEU CA C 13 54.029 0.010 . 1 . . . . A 54 LEU CA . 36775 1 503 . 1 . 1 54 54 LEU CB C 13 42.650 0.000 . 1 . . . . A 54 LEU CB . 36775 1 504 . 1 . 1 54 54 LEU N N 15 122.900 0.000 . 1 . . . . A 54 LEU N . 36775 1 505 . 1 . 1 55 55 SER H H 1 8.658 0.003 . 1 . . . . A 55 SER H . 36775 1 506 . 1 . 1 55 55 SER HA H 1 4.601 0.003 . 1 . . . . A 55 SER HA . 36775 1 507 . 1 . 1 55 55 SER HB2 H 1 4.075 0.003 . . . . . . A 55 SER HB2 . 36775 1 508 . 1 . 1 55 55 SER HB3 H 1 3.867 0.002 . . . . . . A 55 SER HB3 . 36775 1 509 . 1 . 1 55 55 SER CA C 13 59.260 0.000 . 1 . . . . A 55 SER CA . 36775 1 510 . 1 . 1 55 55 SER CB C 13 63.894 0.000 . 1 . . . . A 55 SER CB . 36775 1 511 . 1 . 1 55 55 SER N N 15 114.159 0.001 . 1 . . . . A 55 SER N . 36775 1 512 . 1 . 1 56 56 ASN H H 1 9.339 0.006 . 1 . . . . A 56 ASN H . 36775 1 513 . 1 . 1 56 56 ASN HA H 1 5.250 0.000 . 1 . . . . A 56 ASN HA . 36775 1 514 . 1 . 1 56 56 ASN HB2 H 1 3.044 0.000 . . . . . . A 56 ASN HB2 . 36775 1 515 . 1 . 1 56 56 ASN HB3 H 1 2.755 0.001 . . . . . . A 56 ASN HB3 . 36775 1 516 . 1 . 1 56 56 ASN CA C 13 52.801 0.002 . 1 . . . . A 56 ASN CA . 36775 1 517 . 1 . 1 56 56 ASN CB C 13 37.381 0.002 . 1 . . . . A 56 ASN CB . 36775 1 518 . 1 . 1 56 56 ASN N N 15 121.390 0.000 . 1 . . . . A 56 ASN N . 36775 1 519 . 1 . 1 57 57 GLY H H 1 8.213 0.005 . 1 . . . . A 57 GLY H . 36775 1 520 . 1 . 1 57 57 GLY HA2 H 1 4.686 0.000 . . . . . . A 57 GLY HA2 . 36775 1 521 . 1 . 1 57 57 GLY HA3 H 1 4.686 0.000 . . . . . . A 57 GLY HA3 . 36775 1 522 . 1 . 1 57 57 GLY CA C 13 45.353 0.007 . 1 . . . . A 57 GLY CA . 36775 1 523 . 1 . 1 57 57 GLY N N 15 107.425 0.001 . 1 . . . . A 57 GLY N . 36775 1 524 . 1 . 1 58 58 LYS H H 1 7.698 0.005 . 1 . . . . A 58 LYS H . 36775 1 525 . 1 . 1 58 58 LYS HA H 1 4.552 0.004 . 1 . . . . A 58 LYS HA . 36775 1 526 . 1 . 1 58 58 LYS HB2 H 1 1.804 0.004 . . . . . . A 58 LYS HB2 . 36775 1 527 . 1 . 1 58 58 LYS HB3 H 1 1.906 0.007 . . . . . . A 58 LYS HB3 . 36775 1 528 . 1 . 1 58 58 LYS HD2 H 1 1.640 0.004 . . . . . . A 58 LYS HD2 . 36775 1 529 . 1 . 1 58 58 LYS HD3 H 1 1.469 0.010 . . . . . . A 58 LYS HD3 . 36775 1 530 . 1 . 1 58 58 LYS HE2 H 1 3.003 0.017 . . . . . . A 58 LYS HE2 . 36775 1 531 . 1 . 1 58 58 LYS HE3 H 1 2.902 0.017 . . . . . . A 58 LYS HE3 . 36775 1 532 . 1 . 1 58 58 LYS HG2 H 1 1.276 0.003 . . . . . . A 58 LYS HG2 . 36775 1 533 . 1 . 1 58 58 LYS HG3 H 1 1.192 0.002 . . . . . . A 58 LYS HG3 . 36775 1 534 . 1 . 1 58 58 LYS CA C 13 54.890 0.003 . 1 . . . . A 58 LYS CA . 36775 1 535 . 1 . 1 58 58 LYS CB C 13 33.188 0.018 . 1 . . . . A 58 LYS CB . 36775 1 536 . 1 . 1 58 58 LYS CD C 13 28.540 0.000 . 1 . . . . A 58 LYS CD . 36775 1 537 . 1 . 1 58 58 LYS CE C 13 42.642 0.000 . 1 . . . . A 58 LYS CE . 36775 1 538 . 1 . 1 58 58 LYS CG C 13 25.157 0.000 . 1 . . . . A 58 LYS CG . 36775 1 539 . 1 . 1 58 58 LYS N N 15 119.659 0.000 . 1 . . . . A 58 LYS N . 36775 1 540 . 1 . 1 59 59 SER H H 1 7.617 0.005 . 1 . . . . A 59 SER H . 36775 1 541 . 1 . 1 59 59 SER HA H 1 5.202 0.004 . 1 . . . . A 59 SER HA . 36775 1 542 . 1 . 1 59 59 SER HB2 H 1 4.018 0.005 . . . . . . A 59 SER HB2 . 36775 1 543 . 1 . 1 59 59 SER HB3 H 1 3.904 0.004 . . . . . . A 59 SER HB3 . 36775 1 544 . 1 . 1 59 59 SER CA C 13 58.387 0.004 . 1 . . . . A 59 SER CA . 36775 1 545 . 1 . 1 59 59 SER CB C 13 66.033 0.010 . 1 . . . . A 59 SER CB . 36775 1 546 . 1 . 1 59 59 SER N N 15 114.091 0.000 . 1 . . . . A 59 SER N . 36775 1 547 . 1 . 1 60 60 PHE H H 1 9.263 0.009 . 1 . . . . A 60 PHE H . 36775 1 548 . 1 . 1 60 60 PHE HA H 1 5.057 0.003 . 1 . . . . A 60 PHE HA . 36775 1 549 . 1 . 1 60 60 PHE HB2 H 1 3.160 0.015 . . . . . . A 60 PHE HB2 . 36775 1 550 . 1 . 1 60 60 PHE HB3 H 1 2.938 0.013 . . . . . . A 60 PHE HB3 . 36775 1 551 . 1 . 1 60 60 PHE CA C 13 57.214 0.011 . 1 . . . . A 60 PHE CA . 36775 1 552 . 1 . 1 60 60 PHE CB C 13 43.118 0.005 . 1 . . . . A 60 PHE CB . 36775 1 553 . 1 . 1 60 60 PHE N N 15 124.992 0.011 . 1 . . . . A 60 PHE N . 36775 1 554 . 1 . 1 61 61 ALA H H 1 8.006 0.021 . 1 . . . . A 61 ALA H . 36775 1 555 . 1 . 1 61 61 ALA HA H 1 4.186 0.000 . 1 . . . . A 61 ALA HA . 36775 1 556 . 1 . 1 61 61 ALA HB1 H 1 1.385 0.000 . 1 . . . . A 61 ALA HB1 . 36775 1 557 . 1 . 1 61 61 ALA HB2 H 1 1.385 0.000 . 1 . . . . A 61 ALA HB2 . 36775 1 558 . 1 . 1 61 61 ALA HB3 H 1 1.385 0.000 . 1 . . . . A 61 ALA HB3 . 36775 1 559 . 1 . 1 61 61 ALA CA C 13 49.664 0.018 . 1 . . . . A 61 ALA CA . 36775 1 560 . 1 . 1 61 61 ALA CB C 13 23.800 0.007 . 1 . . . . A 61 ALA CB . 36775 1 561 . 1 . 1 61 61 ALA N N 15 130.300 0.000 . 1 . . . . A 61 ALA N . 36775 1 562 . 1 . 1 62 62 GLN H H 1 8.412 0.011 . 1 . . . . A 62 GLN H . 36775 1 563 . 1 . 1 62 62 GLN HA H 1 4.554 0.006 . 1 . . . . A 62 GLN HA . 36775 1 564 . 1 . 1 62 62 GLN HB2 H 1 1.990 0.000 . . . . . . A 62 GLN HB2 . 36775 1 565 . 1 . 1 62 62 GLN HB3 H 1 1.868 0.004 . . . . . . A 62 GLN HB3 . 36775 1 566 . 1 . 1 62 62 GLN HG2 H 1 2.231 0.003 . . . . . . A 62 GLN HG2 . 36775 1 567 . 1 . 1 62 62 GLN HG3 H 1 2.127 0.001 . . . . . . A 62 GLN HG3 . 36775 1 568 . 1 . 1 62 62 GLN CA C 13 54.255 0.012 . 1 . . . . A 62 GLN CA . 36775 1 569 . 1 . 1 62 62 GLN CB C 13 33.302 0.007 . 1 . . . . A 62 GLN CB . 36775 1 570 . 1 . 1 62 62 GLN CG C 13 34.930 0.000 . 1 . . . . A 62 GLN CG . 36775 1 571 . 1 . 1 62 62 GLN N N 15 115.698 0.006 . 1 . . . . A 62 GLN N . 36775 1 572 . 1 . 1 63 63 CYS H H 1 8.724 0.004 . 1 . . . . A 63 CYS H . 36775 1 573 . 1 . 1 63 63 CYS HA H 1 5.135 0.001 . 1 . . . . A 63 CYS HA . 36775 1 574 . 1 . 1 63 63 CYS HB2 H 1 2.952 0.010 . . . . . . A 63 CYS HB2 . 36775 1 575 . 1 . 1 63 63 CYS HB3 H 1 2.828 0.003 . . . . . . A 63 CYS HB3 . 36775 1 576 . 1 . 1 63 63 CYS CA C 13 55.522 0.009 . 1 . . . . A 63 CYS CA . 36775 1 577 . 1 . 1 63 63 CYS CB C 13 41.358 0.000 . 1 . . . . A 63 CYS CB . 36775 1 578 . 1 . 1 63 63 CYS N N 15 121.502 0.009 . 1 . . . . A 63 CYS N . 36775 1 579 . 1 . 1 64 64 ILE H H 1 9.282 0.005 . 1 . . . . A 64 ILE H . 36775 1 580 . 1 . 1 64 64 ILE HA H 1 4.592 0.006 . 1 . . . . A 64 ILE HA . 36775 1 581 . 1 . 1 64 64 ILE HB H 1 2.112 0.012 . 1 . . . . A 64 ILE HB . 36775 1 582 . 1 . 1 64 64 ILE HD11 H 1 0.874 0.012 . 1 . . . . A 64 ILE HD11 . 36775 1 583 . 1 . 1 64 64 ILE HD12 H 1 0.874 0.012 . 1 . . . . A 64 ILE HD12 . 36775 1 584 . 1 . 1 64 64 ILE HD13 H 1 0.874 0.012 . 1 . . . . A 64 ILE HD13 . 36775 1 585 . 1 . 1 64 64 ILE HG12 H 1 1.226 0.001 . . . . . . A 64 ILE HG12 . 36775 1 586 . 1 . 1 64 64 ILE HG13 H 1 1.144 0.006 . . . . . . A 64 ILE HG13 . 36775 1 587 . 1 . 1 64 64 ILE HG21 H 1 0.979 0.010 . 1 . . . . A 64 ILE HG21 . 36775 1 588 . 1 . 1 64 64 ILE HG22 H 1 0.979 0.010 . 1 . . . . A 64 ILE HG22 . 36775 1 589 . 1 . 1 64 64 ILE HG23 H 1 0.979 0.010 . 1 . . . . A 64 ILE HG23 . 36775 1 590 . 1 . 1 64 64 ILE CA C 13 59.287 0.004 . 1 . . . . A 64 ILE CA . 36775 1 591 . 1 . 1 64 64 ILE CB C 13 41.478 0.007 . 1 . . . . A 64 ILE CB . 36775 1 592 . 1 . 1 64 64 ILE CD1 C 13 13.247 0.000 . 1 . . . . A 64 ILE CD1 . 36775 1 593 . 1 . 1 64 64 ILE CG1 C 13 26.777 0.000 . 1 . . . . A 64 ILE CG1 . 36775 1 594 . 1 . 1 64 64 ILE CG2 C 13 17.680 0.000 . 1 . . . . A 64 ILE CG2 . 36775 1 595 . 1 . 1 64 64 ILE N N 15 118.220 0.000 . 1 . . . . A 64 ILE N . 36775 1 596 . 1 . 1 65 65 GLU H H 1 8.536 0.007 . 1 . . . . A 65 GLU H . 36775 1 597 . 1 . 1 65 65 GLU HA H 1 4.286 0.003 . 1 . . . . A 65 GLU HA . 36775 1 598 . 1 . 1 65 65 GLU HB2 H 1 1.965 0.009 . . . . . . A 65 GLU HB2 . 36775 1 599 . 1 . 1 65 65 GLU HB3 H 1 2.058 0.008 . . . . . . A 65 GLU HB3 . 36775 1 600 . 1 . 1 65 65 GLU HG2 H 1 2.349 0.005 . . . . . . A 65 GLU HG2 . 36775 1 601 . 1 . 1 65 65 GLU HG3 H 1 2.252 0.020 . . . . . . A 65 GLU HG3 . 36775 1 602 . 1 . 1 65 65 GLU CA C 13 57.313 0.011 . 1 . . . . A 65 GLU CA . 36775 1 603 . 1 . 1 65 65 GLU CB C 13 30.435 0.006 . 1 . . . . A 65 GLU CB . 36775 1 604 . 1 . 1 65 65 GLU CG C 13 36.586 0.000 . 1 . . . . A 65 GLU CG . 36775 1 605 . 1 . 1 65 65 GLU N N 15 123.342 0.000 . 1 . . . . A 65 GLU N . 36775 1 606 . 1 . 1 66 66 LEU H H 1 8.372 0.004 . 1 . . . . A 66 LEU H . 36775 1 607 . 1 . 1 66 66 LEU HA H 1 4.306 0.009 . 1 . . . . A 66 LEU HA . 36775 1 608 . 1 . 1 66 66 LEU HB2 H 1 1.766 0.007 . . . . . . A 66 LEU HB2 . 36775 1 609 . 1 . 1 66 66 LEU HB3 H 1 1.556 0.006 . . . . . . A 66 LEU HB3 . 36775 1 610 . 1 . 1 66 66 LEU HD11 H 1 0.931 0.002 . . . . . . A 66 LEU HD11 . 36775 1 611 . 1 . 1 66 66 LEU HD12 H 1 0.931 0.002 . . . . . . A 66 LEU HD12 . 36775 1 612 . 1 . 1 66 66 LEU HD13 H 1 0.931 0.002 . . . . . . A 66 LEU HD13 . 36775 1 613 . 1 . 1 66 66 LEU HD21 H 1 0.835 0.003 . . . . . . A 66 LEU HD21 . 36775 1 614 . 1 . 1 66 66 LEU HD22 H 1 0.835 0.003 . . . . . . A 66 LEU HD22 . 36775 1 615 . 1 . 1 66 66 LEU HD23 H 1 0.835 0.003 . . . . . . A 66 LEU HD23 . 36775 1 616 . 1 . 1 66 66 LEU HG H 1 1.397 0.003 . 1 . . . . A 66 LEU HG . 36775 1 617 . 1 . 1 66 66 LEU CA C 13 55.264 0.012 . 1 . . . . A 66 LEU CA . 36775 1 618 . 1 . 1 66 66 LEU CB C 13 42.754 0.023 . 1 . . . . A 66 LEU CB . 36775 1 619 . 1 . 1 66 66 LEU CD1 C 13 24.505 0.000 . . . . . . A 66 LEU CD1 . 36775 1 620 . 1 . 1 66 66 LEU CD2 C 13 24.530 0.000 . . . . . . A 66 LEU CD2 . 36775 1 621 . 1 . 1 66 66 LEU CG C 13 27.318 0.000 . 1 . . . . A 66 LEU CG . 36775 1 622 . 1 . 1 66 66 LEU N N 15 125.974 0.004 . 1 . . . . A 66 LEU N . 36775 1 623 . 1 . 1 67 67 VAL H H 1 8.114 0.005 . 1 . . . . A 67 VAL H . 36775 1 624 . 1 . 1 67 67 VAL HA H 1 4.104 0.006 . 1 . . . . A 67 VAL HA . 36775 1 625 . 1 . 1 67 67 VAL HB H 1 2.046 0.001 . 1 . . . . A 67 VAL HB . 36775 1 626 . 1 . 1 67 67 VAL HG11 H 1 1.010 0.000 . . . . . . A 67 VAL HG11 . 36775 1 627 . 1 . 1 67 67 VAL HG12 H 1 1.010 0.000 . . . . . . A 67 VAL HG12 . 36775 1 628 . 1 . 1 67 67 VAL HG13 H 1 1.010 0.000 . . . . . . A 67 VAL HG13 . 36775 1 629 . 1 . 1 67 67 VAL HG21 H 1 0.879 0.000 . . . . . . A 67 VAL HG21 . 36775 1 630 . 1 . 1 67 67 VAL HG22 H 1 0.879 0.000 . . . . . . A 67 VAL HG22 . 36775 1 631 . 1 . 1 67 67 VAL HG23 H 1 0.879 0.000 . . . . . . A 67 VAL HG23 . 36775 1 632 . 1 . 1 67 67 VAL CA C 13 62.620 0.019 . 1 . . . . A 67 VAL CA . 36775 1 633 . 1 . 1 67 67 VAL CB C 13 32.660 0.017 . 1 . . . . A 67 VAL CB . 36775 1 634 . 1 . 1 67 67 VAL CG1 C 13 20.959 0.000 . . . . . . A 67 VAL CG1 . 36775 1 635 . 1 . 1 67 67 VAL CG2 C 13 18.685 0.000 . . . . . . A 67 VAL CG2 . 36775 1 636 . 1 . 1 67 67 VAL N N 15 124.043 0.006 . 1 . . . . A 67 VAL N . 36775 1 637 . 1 . 1 68 68 LYS H H 1 7.963 0.003 . 1 . . . . A 68 LYS H . 36775 1 638 . 1 . 1 68 68 LYS HA H 1 4.182 0.004 . 1 . . . . A 68 LYS HA . 36775 1 639 . 1 . 1 68 68 LYS HB2 H 1 1.859 0.000 . . . . . . A 68 LYS HB2 . 36775 1 640 . 1 . 1 68 68 LYS HB3 H 1 1.778 0.004 . . . . . . A 68 LYS HB3 . 36775 1 641 . 1 . 1 68 68 LYS HD2 H 1 1.699 0.002 . . . . . . A 68 LYS HD2 . 36775 1 642 . 1 . 1 68 68 LYS HD3 H 1 1.631 0.000 . . . . . . A 68 LYS HD3 . 36775 1 643 . 1 . 1 68 68 LYS HE2 H 1 3.046 0.006 . . . . . . A 68 LYS HE2 . 36775 1 644 . 1 . 1 68 68 LYS HE3 H 1 2.966 0.002 . . . . . . A 68 LYS HE3 . 36775 1 645 . 1 . 1 68 68 LYS HG2 H 1 1.438 0.001 . . . . . . A 68 LYS HG2 . 36775 1 646 . 1 . 1 68 68 LYS HG3 H 1 1.363 0.005 . . . . . . A 68 LYS HG3 . 36775 1 647 . 1 . 1 68 68 LYS CA C 13 57.729 0.002 . 1 . . . . A 68 LYS CA . 36775 1 648 . 1 . 1 68 68 LYS CB C 13 33.924 0.000 . 1 . . . . A 68 LYS CB . 36775 1 649 . 1 . 1 68 68 LYS N N 15 131.184 0.014 . 1 . . . . A 68 LYS N . 36775 1 stop_ save_