data_51210 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51210 _Entry.Title ; Backbone and sidechain 1H, 15N and 13C resonance assignments of the RNA bound tandem zinc finger domain of the tristetraprolin family member from Selaginella moellendorffii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-02 _Entry.Accession_date 2021-12-02 _Entry.Last_release_date 2021-12-02 _Entry.Original_release_date 2021-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stephanie Hicks . N. . 0000-0001-9268-6115 51210 2 Ronald Venters . A. . 0000-0001-6457-823X 51210 3 Perry Blackshear . J. . 0000-0002-9561-8529 51210 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Signal Transduction Laboratory, National Institute of Environmental Health Sciences, Research Triangle Park, NC, USA 27709' . 51210 2 . 'Duke University NMR Center, Duke University, Durham, NC, USA 27710' . 51210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 51210 '15N chemical shifts' 62 51210 '1H chemical shifts' 422 51210 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 . . 2022-12-02 . original BMRB . 51210 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51209 'Selaginella moellendorffii TTP TZF domain single polypeptide chain' 51210 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51210 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35279790 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and sidechain 1H, 15N and 13C resonance assignments of the free and RNA-bound tandem zinc finger domain of the tristetraprolin family member from Selaginella moellendorffii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 153 _Citation.Page_last 158 _Citation.Year 2022 _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 Stephanie Hicks . N. . . 51210 1 2 Ronald Venters . A. . . 51210 1 3 Perry Blackshear . J. . . 51210 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA binding proteins' 51210 1 'RNA decay' 51210 1 'Selaginella moellendorffii' 51210 1 ZFP36 51210 1 spikemoss 51210 1 tristetraprolin 51210 1 'zinc finger' 51210 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51210 _Assembly.ID 1 _Assembly.Name 'Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7784.89 _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 'Tandem Zinc Finger' 1 $entity_1 . . yes native no no . . . 51210 1 2 Zn1 2 $entity_ZN . . no native no no . . . 51210 1 3 Zn2 2 $entity_ZN . . no native no no . . . 51210 1 4 '9mer RNA' 3 $entity_3 . . no native no no . . . 51210 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 'metal coordination' single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51210 1 2 'metal coordination' single . 1 . 1 CYS 18 18 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51210 1 3 'metal coordination' single . 1 . 1 CYS 47 47 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51210 1 4 'metal coordination' single . 1 . 1 CYS 56 56 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51210 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding protein that regulates the metabolism of mRNA targets' 51210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51210 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NALYKTELCRSWEETGSCRY GNKCQFAHGKEDLRPVNRHP KYKTEVCRTFSAAGTCPYGK RCRFIHATP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 10-76 _Entity.Polymer_author_seq_details ; This tandem zinc finger domain represents residues 10-76 from the full length protein; The first two residues in the assigned chemical shifts list (ASN and ALA) are not part of the S. moellendorfii TTP TZF sequence but are there because of the TEV cleavage site. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Tandem Zinc Finger domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7784.89 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein that regulates the metabolism of mRNA targets' 51210 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 8 ASN . 51210 1 2 9 ALA . 51210 1 3 10 LEU . 51210 1 4 11 TYR . 51210 1 5 12 LYS . 51210 1 6 13 THR . 51210 1 7 14 GLU . 51210 1 8 15 LEU . 51210 1 9 16 CYS . 51210 1 10 17 ARG . 51210 1 11 18 SER . 51210 1 12 19 TRP . 51210 1 13 20 GLU . 51210 1 14 21 GLU . 51210 1 15 22 THR . 51210 1 16 23 GLY . 51210 1 17 24 SER . 51210 1 18 25 CYS . 51210 1 19 26 ARG . 51210 1 20 27 TYR . 51210 1 21 28 GLY . 51210 1 22 29 ASN . 51210 1 23 30 LYS . 51210 1 24 31 CYS . 51210 1 25 32 GLN . 51210 1 26 33 PHE . 51210 1 27 34 ALA . 51210 1 28 35 HIS . 51210 1 29 36 GLY . 51210 1 30 37 LYS . 51210 1 31 38 GLU . 51210 1 32 39 ASP . 51210 1 33 40 LEU . 51210 1 34 41 ARG . 51210 1 35 42 PRO . 51210 1 36 43 VAL . 51210 1 37 44 ASN . 51210 1 38 45 ARG . 51210 1 39 46 HIS . 51210 1 40 47 PRO . 51210 1 41 48 LYS . 51210 1 42 49 TYR . 51210 1 43 50 LYS . 51210 1 44 51 THR . 51210 1 45 52 GLU . 51210 1 46 53 VAL . 51210 1 47 54 CYS . 51210 1 48 55 ARG . 51210 1 49 56 THR . 51210 1 50 57 PHE . 51210 1 51 58 SER . 51210 1 52 59 ALA . 51210 1 53 60 ALA . 51210 1 54 61 GLY . 51210 1 55 62 THR . 51210 1 56 63 CYS . 51210 1 57 64 PRO . 51210 1 58 65 TYR . 51210 1 59 66 GLY . 51210 1 60 67 LYS . 51210 1 61 68 ARG . 51210 1 62 69 CYS . 51210 1 63 70 ARG . 51210 1 64 71 PHE . 51210 1 65 72 ILE . 51210 1 66 73 HIS . 51210 1 67 74 ALA . 51210 1 68 75 THR . 51210 1 69 76 PRO . 51210 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 . ASN 1 1 51210 1 . ALA 2 2 51210 1 . LEU 3 3 51210 1 . TYR 4 4 51210 1 . LYS 5 5 51210 1 . THR 6 6 51210 1 . GLU 7 7 51210 1 . LEU 8 8 51210 1 . CYS 9 9 51210 1 . ARG 10 10 51210 1 . SER 11 11 51210 1 . TRP 12 12 51210 1 . GLU 13 13 51210 1 . GLU 14 14 51210 1 . THR 15 15 51210 1 . GLY 16 16 51210 1 . SER 17 17 51210 1 . CYS 18 18 51210 1 . ARG 19 19 51210 1 . TYR 20 20 51210 1 . GLY 21 21 51210 1 . ASN 22 22 51210 1 . LYS 23 23 51210 1 . CYS 24 24 51210 1 . GLN 25 25 51210 1 . PHE 26 26 51210 1 . ALA 27 27 51210 1 . HIS 28 28 51210 1 . GLY 29 29 51210 1 . LYS 30 30 51210 1 . GLU 31 31 51210 1 . ASP 32 32 51210 1 . LEU 33 33 51210 1 . ARG 34 34 51210 1 . PRO 35 35 51210 1 . VAL 36 36 51210 1 . ASN 37 37 51210 1 . ARG 38 38 51210 1 . HIS 39 39 51210 1 . PRO 40 40 51210 1 . LYS 41 41 51210 1 . TYR 42 42 51210 1 . LYS 43 43 51210 1 . THR 44 44 51210 1 . GLU 45 45 51210 1 . VAL 46 46 51210 1 . CYS 47 47 51210 1 . ARG 48 48 51210 1 . THR 49 49 51210 1 . PHE 50 50 51210 1 . SER 51 51 51210 1 . ALA 52 52 51210 1 . ALA 53 53 51210 1 . GLY 54 54 51210 1 . THR 55 55 51210 1 . CYS 56 56 51210 1 . PRO 57 57 51210 1 . TYR 58 58 51210 1 . GLY 59 59 51210 1 . LYS 60 60 51210 1 . ARG 61 61 51210 1 . CYS 62 62 51210 1 . ARG 63 63 51210 1 . PHE 64 64 51210 1 . ILE 65 65 51210 1 . HIS 66 66 51210 1 . ALA 67 67 51210 1 . THR 68 68 51210 1 . PRO 69 69 51210 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51210 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'ZINC ION' BMRB 51210 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51210 2 ZN 'Three letter code' 51210 2 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 ZN $chem_comp_ZN 51210 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51210 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UUAUUUAUU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment '9mer RNA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2739.6 _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 . U . 51210 3 2 . U . 51210 3 3 . A . 51210 3 4 . U . 51210 3 5 . U . 51210 3 6 . U . 51210 3 7 . A . 51210 3 8 . U . 51210 3 9 . U . 51210 3 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 . U 1 1 51210 3 . U 2 2 51210 3 . A 3 3 51210 3 . U 4 4 51210 3 . U 5 5 51210 3 . U 6 6 51210 3 . A 7 7 51210 3 . U 8 8 51210 3 . U 9 9 51210 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51210 _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 . 88036 organism . 'Selaginella moellendorffii' 'Selaginella moellendorffii' . . Eukaryota Viridiplantae Selaginella moellendorffii . . . . . . . . . . . . . 51210 1 2 3 $entity_3 . . synthetic . . . . . . . . . . . . . . . . . . . . . . 51210 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51210 _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' . . . Escherichia coli 'BL21 Star (DE3)' . . plasmid . . pET28/30 . . . 51210 1 2 3 $entity_3 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 51210 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51210 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51210 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51210 ZN [Zn++] SMILES CACTVS 3.341 51210 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51210 ZN [Zn+2] SMILES ACDLabs 10.04 51210 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51210 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51210 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51210 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51210 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51210 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51210 _Sample.ID 1 _Sample.Name 'NMR sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.2' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51210 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51210 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51210 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51210 1 5 ZnSO4 'natural abundance' . . . . . . 25 . . uM . . . . 51210 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 51210 1 7 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 51210 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 51210 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51210 1 pH 6.2 . pH 51210 1 pressure 1 . atm 51210 1 temperature 298 . K 51210 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51210 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details 'Bruker data collection software' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51210 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51210 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51210 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51210 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version 8.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51210 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51210 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details 'Web Server' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51210 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51210 _Software.ID 5 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details 'Web Server' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51210 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 51210 _Software.ID 6 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51210 6 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 51210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Duke NMR Center Bruker 600' _NMR_spectrometer.Details 'Triple Resonance Cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51210 _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' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 6 '3D HN(CA)CB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 7 '3D HN(COCA)CB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 8 '3D HA(CA)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 9 '3D HA(CACO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 10 '4D HC(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 1 11 '4D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51210 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 51210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NMR assignment chemical shift reference' _Chem_shift_reference.Details 'DSS external referencing standard' 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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 51210 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 51210 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 51210 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 51210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Spikemoss TZF RNA Chemical Shifts' _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' . . . 51210 1 2 '3D HNCO' . . . 51210 1 3 '3D HN(CA)CO' . . . 51210 1 4 '3D HNCA' . . . 51210 1 5 '3D HN(CO)CA' . . . 51210 1 6 '3D HN(CA)CB' . . . 51210 1 7 '3D HN(COCA)CB' . . . 51210 1 8 '3D HA(CA)NH' . . . 51210 1 9 '3D HA(CACO)NH' . . . 51210 1 10 '4D HC(CCO)NH' . . . 51210 1 11 '4D HCCH-TOCSY' . . . 51210 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 4 $software_4 . . 51210 1 5 $software_5 . . 51210 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 1 1 ASN HA H 1 4.7500 0.0000 . 1 . . . . . 8 ASN HA . 51210 1 2 . 1 . 1 1 1 ASN HB2 H 1 2.8500 0.0000 . 1 . . . . . 8 ASN HB2 . 51210 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.8500 0.0000 . 1 . . . . . 8 ASN HB3 . 51210 1 4 . 1 . 1 1 1 ASN C C 13 175.9300 0.0000 . 1 . . . . . 8 ASN C . 51210 1 5 . 1 . 1 1 1 ASN CA C 13 52.3300 0.0000 . 1 . . . . . 8 ASN CA . 51210 1 6 . 1 . 1 1 1 ASN CB C 13 38.9100 0.0000 . 1 . . . . . 8 ASN CB . 51210 1 7 . 1 . 1 2 2 ALA H H 1 8.7600 0.0000 . 1 . . . . . 9 ALA H . 51210 1 8 . 1 . 1 2 2 ALA HA H 1 4.0800 0.0000 . 1 . . . . . 9 ALA HA . 51210 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.3813 0.0000 . 1 . . . . . 9 ALA HB1 . 51210 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.3813 0.0000 . 1 . . . . . 9 ALA HB1 . 51210 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.3813 0.0000 . 1 . . . . . 9 ALA HB1 . 51210 1 12 . 1 . 1 2 2 ALA C C 13 178.2000 0.0000 . 1 . . . . . 9 ALA C . 51210 1 13 . 1 . 1 2 2 ALA CA C 13 54.4000 0.0000 . 1 . . . . . 9 ALA CA . 51210 1 14 . 1 . 1 2 2 ALA CB C 13 18.6000 0.0000 . 1 . . . . . 9 ALA CB . 51210 1 15 . 1 . 1 2 2 ALA N N 15 127.0200 0.0000 . 1 . . . . . 9 ALA N . 51210 1 16 . 1 . 1 3 3 LEU H H 1 7.7200 0.0000 . 1 . . . . . 10 LEU H . 51210 1 17 . 1 . 1 3 3 LEU HA H 1 4.2100 0.0000 . 1 . . . . . 10 LEU HA . 51210 1 18 . 1 . 1 3 3 LEU HB2 H 1 1.1870 0.0000 . 1 . . . . . 10 LEU HB2 . 51210 1 19 . 1 . 1 3 3 LEU HB3 H 1 1.1870 0.0000 . 1 . . . . . 10 LEU HB3 . 51210 1 20 . 1 . 1 3 3 LEU HG H 1 1.4530 0.0000 . 1 . . . . . 10 LEU HG . 51210 1 21 . 1 . 1 3 3 LEU HD11 H 1 0.7760 0.0000 . 1 . . . . . 10 LEU HD11 . 51210 1 22 . 1 . 1 3 3 LEU HD12 H 1 0.7760 0.0000 . 1 . . . . . 10 LEU HD11 . 51210 1 23 . 1 . 1 3 3 LEU HD13 H 1 0.7760 0.0000 . 1 . . . . . 10 LEU HD11 . 51210 1 24 . 1 . 1 3 3 LEU HD21 H 1 0.9430 0.0000 . 1 . . . . . 10 LEU HD21 . 51210 1 25 . 1 . 1 3 3 LEU HD22 H 1 0.9430 0.0000 . 1 . . . . . 10 LEU HD21 . 51210 1 26 . 1 . 1 3 3 LEU HD23 H 1 0.9430 0.0000 . 1 . . . . . 10 LEU HD21 . 51210 1 27 . 1 . 1 3 3 LEU C C 13 176.2000 0.0000 . 1 . . . . . 10 LEU C . 51210 1 28 . 1 . 1 3 3 LEU CA C 13 53.4000 0.0000 . 1 . . . . . 10 LEU CA . 51210 1 29 . 1 . 1 3 3 LEU CB C 13 40.6000 0.0000 . 1 . . . . . 10 LEU CB . 51210 1 30 . 1 . 1 3 3 LEU CG C 13 27.0550 0.0000 . 1 . . . . . 10 LEU CG . 51210 1 31 . 1 . 1 3 3 LEU CD1 C 13 22.3470 0.0000 . 1 . . . . . 10 LEU CD1 . 51210 1 32 . 1 . 1 3 3 LEU CD2 C 13 25.9800 0.0000 . 1 . . . . . 10 LEU CD2 . 51210 1 33 . 1 . 1 3 3 LEU N N 15 115.3000 0.0000 . 1 . . . . . 10 LEU N . 51210 1 34 . 1 . 1 4 4 TYR H H 1 6.9100 0.0000 . 1 . . . . . 11 TYR H . 51210 1 35 . 1 . 1 4 4 TYR HA H 1 3.7600 0.0000 . 1 . . . . . 11 TYR HA . 51210 1 36 . 1 . 1 4 4 TYR HB2 H 1 2.5970 0.0000 . 1 . . . . . 11 TYR HB2 . 51210 1 37 . 1 . 1 4 4 TYR HB3 H 1 3.1580 0.0000 . 1 . . . . . 11 TYR HB3 . 51210 1 38 . 1 . 1 4 4 TYR HD1 H 1 6.9200 0.0000 . 1 . . . . . 11 TYR HD1 . 51210 1 39 . 1 . 1 4 4 TYR HD2 H 1 6.9200 0.0000 . 1 . . . . . 11 TYR HD2 . 51210 1 40 . 1 . 1 4 4 TYR HE1 H 1 6.6670 0.0000 . 1 . . . . . 11 TYR HE1 . 51210 1 41 . 1 . 1 4 4 TYR HE2 H 1 6.6670 0.0000 . 1 . . . . . 11 TYR HE2 . 51210 1 42 . 1 . 1 4 4 TYR C C 13 173.5000 0.0000 . 1 . . . . . 11 TYR C . 51210 1 43 . 1 . 1 4 4 TYR CA C 13 59.3000 0.0000 . 1 . . . . . 11 TYR CA . 51210 1 44 . 1 . 1 4 4 TYR CB C 13 39.2000 0.0000 . 1 . . . . . 11 TYR CB . 51210 1 45 . 1 . 1 4 4 TYR CD1 C 13 133.0400 0.0000 . 1 . . . . . 11 TYR CD1 . 51210 1 46 . 1 . 1 4 4 TYR CD2 C 13 133.0400 0.0000 . 1 . . . . . 11 TYR CD2 . 51210 1 47 . 1 . 1 4 4 TYR CE1 C 13 117.5700 0.0000 . 1 . . . . . 11 TYR CE1 . 51210 1 48 . 1 . 1 4 4 TYR CE2 C 13 117.5700 0.0000 . 1 . . . . . 11 TYR CE2 . 51210 1 49 . 1 . 1 4 4 TYR N N 15 122.3000 0.0000 . 1 . . . . . 11 TYR N . 51210 1 50 . 1 . 1 5 5 LYS H H 1 8.0600 0.0000 . 1 . . . . . 12 LYS H . 51210 1 51 . 1 . 1 5 5 LYS HA H 1 3.0600 0.0000 . 1 . . . . . 12 LYS HA . 51210 1 52 . 1 . 1 5 5 LYS HB2 H 1 0.8480 0.0000 . 1 . . . . . 12 LYS HB2 . 51210 1 53 . 1 . 1 5 5 LYS HB3 H 1 1.8590 0.0000 . 1 . . . . . 12 LYS HB3 . 51210 1 54 . 1 . 1 5 5 LYS HG2 H 1 -0.3110 0.0000 . 1 . . . . . 12 LYS HG2 . 51210 1 55 . 1 . 1 5 5 LYS HG3 H 1 -0.5570 0.0000 . 1 . . . . . 12 LYS HG3 . 51210 1 56 . 1 . 1 5 5 LYS HD2 H 1 2.1700 0.0000 . 1 . . . . . 12 LYS HD2 . 51210 1 57 . 1 . 1 5 5 LYS HD3 H 1 2.1700 0.0000 . 1 . . . . . 12 LYS HD3 . 51210 1 58 . 1 . 1 5 5 LYS HE2 H 1 2.6170 0.0000 . 1 . . . . . 12 LYS HE2 . 51210 1 59 . 1 . 1 5 5 LYS HE3 H 1 2.6170 0.0000 . 1 . . . . . 12 LYS HE3 . 51210 1 60 . 1 . 1 5 5 LYS C C 13 173.1000 0.0000 . 1 . . . . . 12 LYS C . 51210 1 61 . 1 . 1 5 5 LYS CA C 13 59.3000 0.0000 . 1 . . . . . 12 LYS CA . 51210 1 62 . 1 . 1 5 5 LYS CB C 13 30.1000 0.0000 . 1 . . . . . 12 LYS CB . 51210 1 63 . 1 . 1 5 5 LYS CG C 13 26.6830 0.0000 . 1 . . . . . 12 LYS CG . 51210 1 64 . 1 . 1 5 5 LYS CD C 13 30.3600 0.0000 . 1 . . . . . 12 LYS CD . 51210 1 65 . 1 . 1 5 5 LYS CE C 13 43.7550 0.0000 . 1 . . . . . 12 LYS CE . 51210 1 66 . 1 . 1 5 5 LYS N N 15 121.9000 0.0000 . 1 . . . . . 12 LYS N . 51210 1 67 . 1 . 1 6 6 THR H H 1 7.4600 0.0000 . 1 . . . . . 13 THR H . 51210 1 68 . 1 . 1 6 6 THR HA H 1 4.5300 0.0000 . 1 . . . . . 13 THR HA . 51210 1 69 . 1 . 1 6 6 THR HB H 1 4.0990 0.0000 . 1 . . . . . 13 THR HB . 51210 1 70 . 1 . 1 6 6 THR HG21 H 1 0.8830 0.0000 . 1 . . . . . 13 THR HG21 . 51210 1 71 . 1 . 1 6 6 THR HG22 H 1 0.8830 0.0000 . 1 . . . . . 13 THR HG21 . 51210 1 72 . 1 . 1 6 6 THR HG23 H 1 0.8830 0.0000 . 1 . . . . . 13 THR HG21 . 51210 1 73 . 1 . 1 6 6 THR C C 13 174.4000 0.0000 . 1 . . . . . 13 THR C . 51210 1 74 . 1 . 1 6 6 THR CA C 13 62.3000 0.0000 . 1 . . . . . 13 THR CA . 51210 1 75 . 1 . 1 6 6 THR CB C 13 70.7000 0.0000 . 1 . . . . . 13 THR CB . 51210 1 76 . 1 . 1 6 6 THR CG2 C 13 21.1130 0.0000 . 1 . . . . . 13 THR CG2 . 51210 1 77 . 1 . 1 6 6 THR N N 15 106.2000 0.0000 . 1 . . . . . 13 THR N . 51210 1 78 . 1 . 1 7 7 GLU H H 1 9.0800 0.0000 . 1 . . . . . 14 GLU H . 51210 1 79 . 1 . 1 7 7 GLU HA H 1 4.6900 0.0000 . 1 . . . . . 14 GLU HA . 51210 1 80 . 1 . 1 7 7 GLU HB2 H 1 2.1540 0.0000 . 1 . . . . . 14 GLU HB2 . 51210 1 81 . 1 . 1 7 7 GLU HB3 H 1 2.1540 0.0000 . 1 . . . . . 14 GLU HB3 . 51210 1 82 . 1 . 1 7 7 GLU HG2 H 1 2.4360 0.0000 . 1 . . . . . 14 GLU HG2 . 51210 1 83 . 1 . 1 7 7 GLU HG3 H 1 2.4360 0.0000 . 1 . . . . . 14 GLU HG3 . 51210 1 84 . 1 . 1 7 7 GLU C C 13 175.0000 0.0000 . 1 . . . . . 14 GLU C . 51210 1 85 . 1 . 1 7 7 GLU CA C 13 54.7000 0.0000 . 1 . . . . . 14 GLU CA . 51210 1 86 . 1 . 1 7 7 GLU CB C 13 35.0000 0.0000 . 1 . . . . . 14 GLU CB . 51210 1 87 . 1 . 1 7 7 GLU CG C 13 37.8280 0.0000 . 1 . . . . . 14 GLU CG . 51210 1 88 . 1 . 1 7 7 GLU N N 15 126.2000 0.0000 . 1 . . . . . 14 GLU N . 51210 1 89 . 1 . 1 8 8 LEU H H 1 8.7600 0.0000 . 1 . . . . . 15 LEU H . 51210 1 90 . 1 . 1 8 8 LEU HA H 1 4.2900 0.0000 . 1 . . . . . 15 LEU HA . 51210 1 91 . 1 . 1 8 8 LEU HB2 H 1 1.4660 0.0000 . 1 . . . . . 15 LEU HB2 . 51210 1 92 . 1 . 1 8 8 LEU HB3 H 1 1.7550 0.0000 . 1 . . . . . 15 LEU HB3 . 51210 1 93 . 1 . 1 8 8 LEU HG H 1 1.8067 0.0000 . 1 . . . . . 15 LEU HG . 51210 1 94 . 1 . 1 8 8 LEU HD11 H 1 0.9680 0.0000 . 1 . . . . . 15 LEU HD11 . 51210 1 95 . 1 . 1 8 8 LEU HD12 H 1 0.9680 0.0000 . 1 . . . . . 15 LEU HD11 . 51210 1 96 . 1 . 1 8 8 LEU HD13 H 1 0.9680 0.0000 . 1 . . . . . 15 LEU HD11 . 51210 1 97 . 1 . 1 8 8 LEU HD21 H 1 0.6820 0.0000 . 1 . . . . . 15 LEU HD21 . 51210 1 98 . 1 . 1 8 8 LEU HD22 H 1 0.6820 0.0000 . 1 . . . . . 15 LEU HD21 . 51210 1 99 . 1 . 1 8 8 LEU HD23 H 1 0.6820 0.0000 . 1 . . . . . 15 LEU HD21 . 51210 1 100 . 1 . 1 8 8 LEU C C 13 177.0000 0.0000 . 1 . . . . . 15 LEU C . 51210 1 101 . 1 . 1 8 8 LEU CA C 13 56.1000 0.0000 . 1 . . . . . 15 LEU CA . 51210 1 102 . 1 . 1 8 8 LEU CB C 13 41.8000 0.0000 . 1 . . . . . 15 LEU CB . 51210 1 103 . 1 . 1 8 8 LEU CG C 13 26.9330 0.0000 . 1 . . . . . 15 LEU CG . 51210 1 104 . 1 . 1 8 8 LEU CD1 C 13 25.4870 0.0000 . 1 . . . . . 15 LEU CD1 . 51210 1 105 . 1 . 1 8 8 LEU CD2 C 13 22.2590 0.0000 . 1 . . . . . 15 LEU CD2 . 51210 1 106 . 1 . 1 8 8 LEU N N 15 125.6000 0.0000 . 1 . . . . . 15 LEU N . 51210 1 107 . 1 . 1 9 9 CYS H H 1 9.9100 0.0000 . 1 . . . . . 16 CYS H . 51210 1 108 . 1 . 1 9 9 CYS HA H 1 4.8300 0.0000 . 1 . . . . . 16 CYS HA . 51210 1 109 . 1 . 1 9 9 CYS HB2 H 1 2.9020 0.0000 . 1 . . . . . 16 CYS HB2 . 51210 1 110 . 1 . 1 9 9 CYS HB3 H 1 3.4370 0.0000 . 1 . . . . . 16 CYS HB3 . 51210 1 111 . 1 . 1 9 9 CYS C C 13 177.1000 0.0000 . 1 . . . . . 16 CYS C . 51210 1 112 . 1 . 1 9 9 CYS CA C 13 59.1000 0.0000 . 1 . . . . . 16 CYS CA . 51210 1 113 . 1 . 1 9 9 CYS CB C 13 31.7000 0.0000 . 1 . . . . . 16 CYS CB . 51210 1 114 . 1 . 1 9 9 CYS N N 15 128.1000 0.0000 . 1 . . . . . 16 CYS N . 51210 1 115 . 1 . 1 10 10 ARG H H 1 11.1700 0.0000 . 1 . . . . . 17 ARG H . 51210 1 116 . 1 . 1 10 10 ARG HA H 1 4.1900 0.0000 . 1 . . . . . 17 ARG HA . 51210 1 117 . 1 . 1 10 10 ARG HB2 H 1 1.6240 0.0000 . 1 . . . . . 17 ARG HB2 . 51210 1 118 . 1 . 1 10 10 ARG HB3 H 1 1.6240 0.0000 . 1 . . . . . 17 ARG HB3 . 51210 1 119 . 1 . 1 10 10 ARG HG2 H 1 1.5410 0.0000 . 1 . . . . . 17 ARG HG2 . 51210 1 120 . 1 . 1 10 10 ARG HG3 H 1 1.4040 0.0000 . 1 . . . . . 17 ARG HG3 . 51210 1 121 . 1 . 1 10 10 ARG HD2 H 1 2.5980 0.0000 . 1 . . . . . 17 ARG HD2 . 51210 1 122 . 1 . 1 10 10 ARG HD3 H 1 3.2140 0.0000 . 1 . . . . . 17 ARG HD3 . 51210 1 123 . 1 . 1 10 10 ARG C C 13 178.9000 0.0000 . 1 . . . . . 17 ARG C . 51210 1 124 . 1 . 1 10 10 ARG CA C 13 59.3000 0.0000 . 1 . . . . . 17 ARG CA . 51210 1 125 . 1 . 1 10 10 ARG CB C 13 30.1000 0.0000 . 1 . . . . . 17 ARG CB . 51210 1 126 . 1 . 1 10 10 ARG CG C 13 26.9230 0.0000 . 1 . . . . . 17 ARG CG . 51210 1 127 . 1 . 1 10 10 ARG CD C 13 43.4600 0.0000 . 1 . . . . . 17 ARG CD . 51210 1 128 . 1 . 1 10 10 ARG N N 15 134.2000 0.0000 . 1 . . . . . 17 ARG N . 51210 1 129 . 1 . 1 11 11 SER H H 1 8.2300 0.0000 . 1 . . . . . 18 SER H . 51210 1 130 . 1 . 1 11 11 SER HA H 1 4.4500 0.0000 . 1 . . . . . 18 SER HA . 51210 1 131 . 1 . 1 11 11 SER HB2 H 1 4.3620 0.0000 . 1 . . . . . 18 SER HB2 . 51210 1 132 . 1 . 1 11 11 SER HB3 H 1 4.3620 0.0000 . 1 . . . . . 18 SER HB3 . 51210 1 133 . 1 . 1 11 11 SER C C 13 177.7000 0.0000 . 1 . . . . . 18 SER C . 51210 1 134 . 1 . 1 11 11 SER CA C 13 61.9000 0.0000 . 1 . . . . . 18 SER CA . 51210 1 135 . 1 . 1 11 11 SER CB C 13 63.4000 0.0000 . 1 . . . . . 18 SER CB . 51210 1 136 . 1 . 1 11 11 SER N N 15 117.7000 0.0000 . 1 . . . . . 18 SER N . 51210 1 137 . 1 . 1 12 12 TRP H H 1 9.2700 0.0000 . 1 . . . . . 19 TRP H . 51210 1 138 . 1 . 1 12 12 TRP HA H 1 3.6610 0.0000 . 1 . . . . . 19 TRP HA . 51210 1 139 . 1 . 1 12 12 TRP HB2 H 1 3.0980 0.0000 . 1 . . . . . 19 TRP HB2 . 51210 1 140 . 1 . 1 12 12 TRP HB3 H 1 3.7350 0.0000 . 1 . . . . . 19 TRP HB3 . 51210 1 141 . 1 . 1 12 12 TRP HD1 H 1 7.1070 0.0000 . 1 . . . . . 19 TRP HD1 . 51210 1 142 . 1 . 1 12 12 TRP C C 13 180.0000 0.0000 . 1 . . . . . 19 TRP C . 51210 1 143 . 1 . 1 12 12 TRP CA C 13 61.2000 0.0000 . 1 . . . . . 19 TRP CA . 51210 1 144 . 1 . 1 12 12 TRP CB C 13 28.3870 0.0000 . 1 . . . . . 19 TRP CB . 51210 1 145 . 1 . 1 12 12 TRP N N 15 129.0000 0.0000 . 1 . . . . . 19 TRP N . 51210 1 146 . 1 . 1 13 13 GLU H H 1 8.7100 0.0000 . 1 . . . . . 20 GLU H . 51210 1 147 . 1 . 1 13 13 GLU HA H 1 4.0100 0.0000 . 1 . . . . . 20 GLU HA . 51210 1 148 . 1 . 1 13 13 GLU HB2 H 1 2.2020 0.0000 . 1 . . . . . 20 GLU HB2 . 51210 1 149 . 1 . 1 13 13 GLU HB3 H 1 2.2020 0.0000 . 1 . . . . . 20 GLU HB3 . 51210 1 150 . 1 . 1 13 13 GLU HG2 H 1 2.4240 0.0000 . 1 . . . . . 20 GLU HG2 . 51210 1 151 . 1 . 1 13 13 GLU HG3 H 1 2.4240 0.0000 . 1 . . . . . 20 GLU HG3 . 51210 1 152 . 1 . 1 13 13 GLU C C 13 178.0000 0.0000 . 1 . . . . . 20 GLU C . 51210 1 153 . 1 . 1 13 13 GLU CA C 13 59.3000 0.0000 . 1 . . . . . 20 GLU CA . 51210 1 154 . 1 . 1 13 13 GLU CB C 13 30.7300 0.0000 . 1 . . . . . 20 GLU CB . 51210 1 155 . 1 . 1 13 13 GLU CG C 13 37.4180 0.0000 . 1 . . . . . 20 GLU CG . 51210 1 156 . 1 . 1 13 13 GLU N N 15 118.1000 0.0000 . 1 . . . . . 20 GLU N . 51210 1 157 . 1 . 1 14 14 GLU H H 1 7.8100 0.0000 . 1 . . . . . 21 GLU H . 51210 1 158 . 1 . 1 14 14 GLU HA H 1 4.2100 0.0000 . 1 . . . . . 21 GLU HA . 51210 1 159 . 1 . 1 14 14 GLU HB2 H 1 2.1560 0.0000 . 1 . . . . . 21 GLU HB2 . 51210 1 160 . 1 . 1 14 14 GLU HB3 H 1 2.1560 0.0000 . 1 . . . . . 21 GLU HB3 . 51210 1 161 . 1 . 1 14 14 GLU HG2 H 1 2.5010 0.0000 . 1 . . . . . 21 GLU HG2 . 51210 1 162 . 1 . 1 14 14 GLU HG3 H 1 2.2700 0.0000 . 1 . . . . . 21 GLU HG3 . 51210 1 163 . 1 . 1 14 14 GLU C C 13 178.6000 0.0000 . 1 . . . . . 21 GLU C . 51210 1 164 . 1 . 1 14 14 GLU CA C 13 58.9000 0.0000 . 1 . . . . . 21 GLU CA . 51210 1 165 . 1 . 1 14 14 GLU CB C 13 30.7000 0.0000 . 1 . . . . . 21 GLU CB . 51210 1 166 . 1 . 1 14 14 GLU CG C 13 36.4690 0.0000 . 1 . . . . . 21 GLU CG . 51210 1 167 . 1 . 1 14 14 GLU N N 15 115.8000 0.0000 . 1 . . . . . 21 GLU N . 51210 1 168 . 1 . 1 15 15 THR H H 1 8.3000 0.0000 . 1 . . . . . 22 THR H . 51210 1 169 . 1 . 1 15 15 THR HA H 1 4.6300 0.0000 . 1 . . . . . 22 THR HA . 51210 1 170 . 1 . 1 15 15 THR HB H 1 4.2630 0.0000 . 1 . . . . . 22 THR HB . 51210 1 171 . 1 . 1 15 15 THR HG21 H 1 1.1770 0.0000 . 1 . . . . . 22 THR HG21 . 51210 1 172 . 1 . 1 15 15 THR HG22 H 1 1.1770 0.0000 . 1 . . . . . 22 THR HG21 . 51210 1 173 . 1 . 1 15 15 THR HG23 H 1 1.1770 0.0000 . 1 . . . . . 22 THR HG21 . 51210 1 174 . 1 . 1 15 15 THR C C 13 175.9000 0.0000 . 1 . . . . . 22 THR C . 51210 1 175 . 1 . 1 15 15 THR CA C 13 61.7000 0.0000 . 1 . . . . . 22 THR CA . 51210 1 176 . 1 . 1 15 15 THR CB C 13 72.8000 0.0000 . 1 . . . . . 22 THR CB . 51210 1 177 . 1 . 1 15 15 THR CG2 C 13 21.2290 0.0000 . 1 . . . . . 22 THR CG2 . 51210 1 178 . 1 . 1 15 15 THR N N 15 105.2000 0.0000 . 1 . . . . . 22 THR N . 51210 1 179 . 1 . 1 16 16 GLY H H 1 8.2800 0.0000 . 1 . . . . . 23 GLY H . 51210 1 180 . 1 . 1 16 16 GLY HA2 H 1 2.4710 0.0000 . 1 . . . . . 23 GLY HA2 . 51210 1 181 . 1 . 1 16 16 GLY HA3 H 1 3.4950 0.0000 . 1 . . . . . 23 GLY HA3 . 51210 1 182 . 1 . 1 16 16 GLY C C 13 171.0000 0.0000 . 1 . . . . . 23 GLY C . 51210 1 183 . 1 . 1 16 16 GLY CA C 13 44.9000 0.0000 . 1 . . . . . 23 GLY CA . 51210 1 184 . 1 . 1 16 16 GLY N N 15 112.9000 0.0000 . 1 . . . . . 23 GLY N . 51210 1 185 . 1 . 1 17 17 SER H H 1 7.3400 0.0000 . 1 . . . . . 24 SER H . 51210 1 186 . 1 . 1 17 17 SER HA H 1 4.1500 0.0000 . 1 . . . . . 24 SER HA . 51210 1 187 . 1 . 1 17 17 SER HB2 H 1 3.4500 0.0000 . 1 . . . . . 24 SER HB2 . 51210 1 188 . 1 . 1 17 17 SER HB3 H 1 3.4500 0.0000 . 1 . . . . . 24 SER HB3 . 51210 1 189 . 1 . 1 17 17 SER C C 13 171.5200 0.0000 . 1 . . . . . 24 SER C . 51210 1 190 . 1 . 1 17 17 SER CA C 13 56.7000 0.0000 . 1 . . . . . 24 SER CA . 51210 1 191 . 1 . 1 17 17 SER CB C 13 65.5000 0.0000 . 1 . . . . . 24 SER CB . 51210 1 192 . 1 . 1 17 17 SER N N 15 111.4000 0.0000 . 1 . . . . . 24 SER N . 51210 1 193 . 1 . 1 18 18 CYS H H 1 8.4300 0.0000 . 1 . . . . . 25 CYS H . 51210 1 194 . 1 . 1 18 18 CYS HA H 1 4.5800 0.0000 . 1 . . . . . 25 CYS HA . 51210 1 195 . 1 . 1 18 18 CYS HB2 H 1 2.7700 0.0000 . 1 . . . . . 25 CYS HB2 . 51210 1 196 . 1 . 1 18 18 CYS HB3 H 1 3.0900 0.0000 . 1 . . . . . 25 CYS HB3 . 51210 1 197 . 1 . 1 18 18 CYS C C 13 177.0000 0.0000 . 1 . . . . . 25 CYS C . 51210 1 198 . 1 . 1 18 18 CYS CA C 13 59.9000 0.0000 . 1 . . . . . 25 CYS CA . 51210 1 199 . 1 . 1 18 18 CYS CB C 13 33.4000 0.0000 . 1 . . . . . 25 CYS CB . 51210 1 200 . 1 . 1 18 18 CYS N N 15 120.8000 0.0000 . 1 . . . . . 25 CYS N . 51210 1 201 . 1 . 1 19 19 ARG H H 1 9.2600 0.0000 . 1 . . . . . 26 ARG H . 51210 1 202 . 1 . 1 19 19 ARG HA H 1 4.2990 0.0000 . 1 . . . . . 26 ARG HA . 51210 1 203 . 1 . 1 19 19 ARG HB2 H 1 1.7900 0.0000 . 1 . . . . . 26 ARG HB2 . 51210 1 204 . 1 . 1 19 19 ARG HB3 H 1 1.7900 0.0000 . 1 . . . . . 26 ARG HB3 . 51210 1 205 . 1 . 1 19 19 ARG HG2 H 1 1.7430 0.0000 . 1 . . . . . 26 ARG HG2 . 51210 1 206 . 1 . 1 19 19 ARG HG3 H 1 1.0880 0.0000 . 1 . . . . . 26 ARG HG3 . 51210 1 207 . 1 . 1 19 19 ARG HD2 H 1 3.0790 0.0000 . 1 . . . . . 26 ARG HD2 . 51210 1 208 . 1 . 1 19 19 ARG HD3 H 1 3.0790 0.0000 . 1 . . . . . 26 ARG HD3 . 51210 1 209 . 1 . 1 19 19 ARG C C 13 177.0000 0.0000 . 1 . . . . . 26 ARG C . 51210 1 210 . 1 . 1 19 19 ARG CA C 13 58.4000 0.0000 . 1 . . . . . 26 ARG CA . 51210 1 211 . 1 . 1 19 19 ARG CB C 13 28.9000 0.0000 . 1 . . . . . 26 ARG CB . 51210 1 212 . 1 . 1 19 19 ARG CG C 13 26.6520 0.0000 . 1 . . . . . 26 ARG CG . 51210 1 213 . 1 . 1 19 19 ARG CD C 13 43.5700 0.0000 . 1 . . . . . 26 ARG CD . 51210 1 214 . 1 . 1 19 19 ARG N N 15 131.1000 0.0000 . 1 . . . . . 26 ARG N . 51210 1 215 . 1 . 1 20 20 TYR H H 1 9.4000 0.0000 . 1 . . . . . 27 TYR H . 51210 1 216 . 1 . 1 20 20 TYR HA H 1 4.3600 0.0000 . 1 . . . . . 27 TYR HA . 51210 1 217 . 1 . 1 20 20 TYR HB2 H 1 2.6330 0.0000 . 1 . . . . . 27 TYR HB2 . 51210 1 218 . 1 . 1 20 20 TYR HB3 H 1 3.3400 0.0000 . 1 . . . . . 27 TYR HB3 . 51210 1 219 . 1 . 1 20 20 TYR HD1 H 1 7.0536 0.0000 . 1 . . . . . 27 TYR HD1 . 51210 1 220 . 1 . 1 20 20 TYR HD2 H 1 7.0536 0.0000 . 1 . . . . . 27 TYR HD2 . 51210 1 221 . 1 . 1 20 20 TYR HE1 H 1 6.7663 0.0000 . 1 . . . . . 27 TYR HE1 . 51210 1 222 . 1 . 1 20 20 TYR HE2 H 1 6.7663 0.0000 . 1 . . . . . 27 TYR HE2 . 51210 1 223 . 1 . 1 20 20 TYR C C 13 177.7000 0.0000 . 1 . . . . . 27 TYR C . 51210 1 224 . 1 . 1 20 20 TYR CA C 13 60.9000 0.0000 . 1 . . . . . 27 TYR CA . 51210 1 225 . 1 . 1 20 20 TYR CB C 13 38.3200 0.0000 . 1 . . . . . 27 TYR CB . 51210 1 226 . 1 . 1 20 20 TYR CD1 C 13 132.7900 0.0000 . 1 . . . . . 27 TYR CD1 . 51210 1 227 . 1 . 1 20 20 TYR CD2 C 13 132.7900 0.0000 . 1 . . . . . 27 TYR CD2 . 51210 1 228 . 1 . 1 20 20 TYR CE1 C 13 117.9300 0.0000 . 1 . . . . . 27 TYR CE1 . 51210 1 229 . 1 . 1 20 20 TYR CE2 C 13 117.9300 0.0000 . 1 . . . . . 27 TYR CE2 . 51210 1 230 . 1 . 1 20 20 TYR N N 15 121.8000 0.0000 . 1 . . . . . 27 TYR N . 51210 1 231 . 1 . 1 21 21 GLY H H 1 7.9600 0.0000 . 1 . . . . . 28 GLY H . 51210 1 232 . 1 . 1 21 21 GLY HA2 H 1 4.1170 0.0000 . 1 . . . . . 28 GLY HA2 . 51210 1 233 . 1 . 1 21 21 GLY HA3 H 1 4.1170 0.0000 . 1 . . . . . 28 GLY HA3 . 51210 1 234 . 1 . 1 21 21 GLY C C 13 176.4000 0.0000 . 1 . . . . . 28 GLY C . 51210 1 235 . 1 . 1 21 21 GLY CA C 13 47.8000 0.0000 . 1 . . . . . 28 GLY CA . 51210 1 236 . 1 . 1 21 21 GLY N N 15 109.3000 0.0000 . 1 . . . . . 28 GLY N . 51210 1 237 . 1 . 1 22 22 ASN HA H 1 4.6720 0.0000 . 1 . . . . . 29 ASN HA . 51210 1 238 . 1 . 1 22 22 ASN HB2 H 1 2.9940 0.0000 . 1 . . . . . 29 ASN HB2 . 51210 1 239 . 1 . 1 22 22 ASN HB3 H 1 2.9940 0.0000 . 1 . . . . . 29 ASN HB3 . 51210 1 240 . 1 . 1 22 22 ASN C C 13 176.3400 0.0000 . 1 . . . . . 29 ASN C . 51210 1 241 . 1 . 1 22 22 ASN CA C 13 54.6600 0.0000 . 1 . . . . . 29 ASN CA . 51210 1 242 . 1 . 1 22 22 ASN CB C 13 37.4600 0.0000 . 1 . . . . . 29 ASN CB . 51210 1 243 . 1 . 1 23 23 LYS H H 1 8.6500 0.0000 . 1 . . . . . 30 LYS H . 51210 1 244 . 1 . 1 23 23 LYS HA H 1 4.4900 0.0000 . 1 . . . . . 30 LYS HA . 51210 1 245 . 1 . 1 23 23 LYS HB2 H 1 2.2190 0.0000 . 1 . . . . . 30 LYS HB2 . 51210 1 246 . 1 . 1 23 23 LYS HB3 H 1 2.2190 0.0000 . 1 . . . . . 30 LYS HB3 . 51210 1 247 . 1 . 1 23 23 LYS HG2 H 1 1.5850 0.0000 . 1 . . . . . 30 LYS HG2 . 51210 1 248 . 1 . 1 23 23 LYS HG3 H 1 1.7150 0.0000 . 1 . . . . . 30 LYS HG3 . 51210 1 249 . 1 . 1 23 23 LYS HD2 H 1 1.8630 0.0000 . 1 . . . . . 30 LYS HD2 . 51210 1 250 . 1 . 1 23 23 LYS HD3 H 1 1.8630 0.0000 . 1 . . . . . 30 LYS HD3 . 51210 1 251 . 1 . 1 23 23 LYS HE2 H 1 3.1230 0.0000 . 1 . . . . . 30 LYS HE2 . 51210 1 252 . 1 . 1 23 23 LYS HE3 H 1 3.1230 0.0000 . 1 . . . . . 30 LYS HE3 . 51210 1 253 . 1 . 1 23 23 LYS C C 13 176.3000 0.0000 . 1 . . . . . 30 LYS C . 51210 1 254 . 1 . 1 23 23 LYS CA C 13 56.1000 0.0000 . 1 . . . . . 30 LYS CA . 51210 1 255 . 1 . 1 23 23 LYS CB C 13 32.3000 0.0000 . 1 . . . . . 30 LYS CB . 51210 1 256 . 1 . 1 23 23 LYS CG C 13 25.4620 0.0000 . 1 . . . . . 30 LYS CG . 51210 1 257 . 1 . 1 23 23 LYS CD C 13 29.1790 0.0000 . 1 . . . . . 30 LYS CD . 51210 1 258 . 1 . 1 23 23 LYS CE C 13 42.1600 0.0000 . 1 . . . . . 30 LYS CE . 51210 1 259 . 1 . 1 23 23 LYS N N 15 119.3000 0.0000 . 1 . . . . . 30 LYS N . 51210 1 260 . 1 . 1 24 24 CYS H H 1 7.3900 0.0000 . 1 . . . . . 31 CYS H . 51210 1 261 . 1 . 1 24 24 CYS HA H 1 4.0700 0.0000 . 1 . . . . . 31 CYS HA . 51210 1 262 . 1 . 1 24 24 CYS HB2 H 1 2.4710 0.0000 . 1 . . . . . 31 CYS HB2 . 51210 1 263 . 1 . 1 24 24 CYS HB3 H 1 3.1600 0.0000 . 1 . . . . . 31 CYS HB3 . 51210 1 264 . 1 . 1 24 24 CYS C C 13 177.0000 0.0000 . 1 . . . . . 31 CYS C . 51210 1 265 . 1 . 1 24 24 CYS CA C 13 61.9000 0.0000 . 1 . . . . . 31 CYS CA . 51210 1 266 . 1 . 1 24 24 CYS CB C 13 31.3000 0.0000 . 1 . . . . . 31 CYS CB . 51210 1 267 . 1 . 1 24 24 CYS N N 15 124.3000 0.0000 . 1 . . . . . 31 CYS N . 51210 1 268 . 1 . 1 25 25 GLN H H 1 8.8900 0.0000 . 1 . . . . . 32 GLN H . 51210 1 269 . 1 . 1 25 25 GLN HA H 1 4.2600 0.0000 . 1 . . . . . 32 GLN HA . 51210 1 270 . 1 . 1 25 25 GLN HB2 H 1 1.3610 0.0000 . 1 . . . . . 32 GLN HB2 . 51210 1 271 . 1 . 1 25 25 GLN HB3 H 1 2.3950 0.0000 . 1 . . . . . 32 GLN HB3 . 51210 1 272 . 1 . 1 25 25 GLN HG2 H 1 2.5510 0.0000 . 1 . . . . . 32 GLN HG2 . 51210 1 273 . 1 . 1 25 25 GLN HG3 H 1 2.5510 0.0000 . 1 . . . . . 32 GLN HG3 . 51210 1 274 . 1 . 1 25 25 GLN C C 13 174.7000 0.0000 . 1 . . . . . 32 GLN C . 51210 1 275 . 1 . 1 25 25 GLN CA C 13 55.1000 0.0000 . 1 . . . . . 32 GLN CA . 51210 1 276 . 1 . 1 25 25 GLN CB C 13 28.7000 0.0000 . 1 . . . . . 32 GLN CB . 51210 1 277 . 1 . 1 25 25 GLN CG C 13 34.4900 0.0000 . 1 . . . . . 32 GLN CG . 51210 1 278 . 1 . 1 25 25 GLN N N 15 124.6000 0.0000 . 1 . . . . . 32 GLN N . 51210 1 279 . 1 . 1 26 26 PHE H H 1 9.2800 0.0000 . 1 . . . . . 33 PHE H . 51210 1 280 . 1 . 1 26 26 PHE HA H 1 4.7200 0.0000 . 1 . . . . . 33 PHE HA . 51210 1 281 . 1 . 1 26 26 PHE HB2 H 1 2.7990 0.0000 . 1 . . . . . 33 PHE HB2 . 51210 1 282 . 1 . 1 26 26 PHE HB3 H 1 2.7990 0.0000 . 1 . . . . . 33 PHE HB3 . 51210 1 283 . 1 . 1 26 26 PHE C C 13 174.4000 0.0000 . 1 . . . . . 33 PHE C . 51210 1 284 . 1 . 1 26 26 PHE CA C 13 57.1000 0.0000 . 1 . . . . . 33 PHE CA . 51210 1 285 . 1 . 1 26 26 PHE CB C 13 39.2000 0.0000 . 1 . . . . . 33 PHE CB . 51210 1 286 . 1 . 1 26 26 PHE N N 15 126.7000 0.0000 . 1 . . . . . 33 PHE N . 51210 1 287 . 1 . 1 27 27 ALA H H 1 8.8600 0.0000 . 1 . . . . . 34 ALA H . 51210 1 288 . 1 . 1 27 27 ALA HA H 1 3.7500 0.0000 . 1 . . . . . 34 ALA HA . 51210 1 289 . 1 . 1 27 27 ALA HB1 H 1 0.9950 0.0000 . 1 . . . . . 34 ALA HB1 . 51210 1 290 . 1 . 1 27 27 ALA HB2 H 1 0.9950 0.0000 . 1 . . . . . 34 ALA HB1 . 51210 1 291 . 1 . 1 27 27 ALA HB3 H 1 0.9950 0.0000 . 1 . . . . . 34 ALA HB1 . 51210 1 292 . 1 . 1 27 27 ALA C C 13 177.2000 0.0000 . 1 . . . . . 34 ALA C . 51210 1 293 . 1 . 1 27 27 ALA CA C 13 52.6000 0.0000 . 1 . . . . . 34 ALA CA . 51210 1 294 . 1 . 1 27 27 ALA CB C 13 19.9000 0.0000 . 1 . . . . . 34 ALA CB . 51210 1 295 . 1 . 1 27 27 ALA N N 15 123.6000 0.0000 . 1 . . . . . 34 ALA N . 51210 1 296 . 1 . 1 28 28 HIS H H 1 10.6600 0.0000 . 1 . . . . . 35 HIS H . 51210 1 297 . 1 . 1 28 28 HIS HA H 1 4.2000 0.0000 . 1 . . . . . 35 HIS HA . 51210 1 298 . 1 . 1 28 28 HIS HB2 H 1 2.1270 0.0000 . 1 . . . . . 35 HIS HB2 . 51210 1 299 . 1 . 1 28 28 HIS HB3 H 1 2.1270 0.0000 . 1 . . . . . 35 HIS HB3 . 51210 1 300 . 1 . 1 28 28 HIS HD2 H 1 6.4750 0.0000 . 1 . . . . . 35 HIS HD2 . 51210 1 301 . 1 . 1 28 28 HIS HE1 H 1 7.8990 0.0000 . 1 . . . . . 35 HIS HE1 . 51210 1 302 . 1 . 1 28 28 HIS C C 13 173.7000 0.0000 . 1 . . . . . 35 HIS C . 51210 1 303 . 1 . 1 28 28 HIS CA C 13 51.9000 0.0000 . 1 . . . . . 35 HIS CA . 51210 1 304 . 1 . 1 28 28 HIS CB C 13 25.6760 0.0000 . 1 . . . . . 35 HIS CB . 51210 1 305 . 1 . 1 28 28 HIS CD2 C 13 123.6700 0.0000 . 1 . . . . . 35 HIS CD2 . 51210 1 306 . 1 . 1 28 28 HIS CE1 C 13 139.4800 0.0000 . 1 . . . . . 35 HIS CE1 . 51210 1 307 . 1 . 1 28 28 HIS N N 15 129.1000 0.0000 . 1 . . . . . 35 HIS N . 51210 1 308 . 1 . 1 29 29 GLY HA2 H 1 4.4190 0.0000 . 1 . . . . . 36 GLY HA2 . 51210 1 309 . 1 . 1 29 29 GLY HA3 H 1 3.8680 0.0000 . 1 . . . . . 36 GLY HA3 . 51210 1 310 . 1 . 1 29 29 GLY C C 13 174.3800 0.0000 . 1 . . . . . 36 GLY C . 51210 1 311 . 1 . 1 29 29 GLY CA C 13 43.2300 0.0000 . 1 . . . . . 36 GLY CA . 51210 1 312 . 1 . 1 30 30 LYS H H 1 8.5500 0.0000 . 1 . . . . . 37 LYS H . 51210 1 313 . 1 . 1 30 30 LYS HA H 1 3.8050 0.0000 . 1 . . . . . 37 LYS HA . 51210 1 314 . 1 . 1 30 30 LYS HB2 H 1 1.8360 0.0000 . 1 . . . . . 37 LYS HB2 . 51210 1 315 . 1 . 1 30 30 LYS HB3 H 1 1.8360 0.0000 . 1 . . . . . 37 LYS HB3 . 51210 1 316 . 1 . 1 30 30 LYS HG2 H 1 1.4740 0.0000 . 1 . . . . . 37 LYS HG2 . 51210 1 317 . 1 . 1 30 30 LYS HG3 H 1 1.4740 0.0000 . 1 . . . . . 37 LYS HG3 . 51210 1 318 . 1 . 1 30 30 LYS HD2 H 1 1.6990 0.0000 . 1 . . . . . 37 LYS HD2 . 51210 1 319 . 1 . 1 30 30 LYS HD3 H 1 1.6990 0.0000 . 1 . . . . . 37 LYS HD3 . 51210 1 320 . 1 . 1 30 30 LYS HE2 H 1 2.3470 0.0000 . 1 . . . . . 37 LYS HE2 . 51210 1 321 . 1 . 1 30 30 LYS HE3 H 1 2.3470 0.0000 . 1 . . . . . 37 LYS HE3 . 51210 1 322 . 1 . 1 30 30 LYS C C 13 179.1000 0.0000 . 1 . . . . . 37 LYS C . 51210 1 323 . 1 . 1 30 30 LYS CA C 13 59.5000 0.0000 . 1 . . . . . 37 LYS CA . 51210 1 324 . 1 . 1 30 30 LYS CB C 13 31.8000 0.0000 . 1 . . . . . 37 LYS CB . 51210 1 325 . 1 . 1 30 30 LYS CG C 13 24.9740 0.0000 . 1 . . . . . 37 LYS CG . 51210 1 326 . 1 . 1 30 30 LYS CD C 13 29.3320 0.0000 . 1 . . . . . 37 LYS CD . 51210 1 327 . 1 . 1 30 30 LYS CE C 13 43.6300 0.0000 . 1 . . . . . 37 LYS CE . 51210 1 328 . 1 . 1 30 30 LYS N N 15 119.0000 0.0000 . 1 . . . . . 37 LYS N . 51210 1 329 . 1 . 1 31 31 GLU H H 1 9.0600 0.0000 . 1 . . . . . 38 GLU H . 51210 1 330 . 1 . 1 31 31 GLU HA H 1 4.1000 0.0000 . 1 . . . . . 38 GLU HA . 51210 1 331 . 1 . 1 31 31 GLU HB2 H 1 2.0300 0.0000 . 1 . . . . . 38 GLU HB2 . 51210 1 332 . 1 . 1 31 31 GLU HB3 H 1 2.0300 0.0000 . 1 . . . . . 38 GLU HB3 . 51210 1 333 . 1 . 1 31 31 GLU HG2 H 1 2.3140 0.0000 . 1 . . . . . 38 GLU HG2 . 51210 1 334 . 1 . 1 31 31 GLU HG3 H 1 2.3140 0.0000 . 1 . . . . . 38 GLU HG3 . 51210 1 335 . 1 . 1 31 31 GLU C C 13 175.7000 0.0000 . 1 . . . . . 38 GLU C . 51210 1 336 . 1 . 1 31 31 GLU CA C 13 58.3000 0.0000 . 1 . . . . . 38 GLU CA . 51210 1 337 . 1 . 1 31 31 GLU CB C 13 28.1000 0.0000 . 1 . . . . . 38 GLU CB . 51210 1 338 . 1 . 1 31 31 GLU CG C 13 36.4810 0.0000 . 1 . . . . . 38 GLU CG . 51210 1 339 . 1 . 1 31 31 GLU N N 15 118.3000 0.0000 . 1 . . . . . 38 GLU N . 51210 1 340 . 1 . 1 32 32 ASP H H 1 7.4500 0.0000 . 1 . . . . . 39 ASP H . 51210 1 341 . 1 . 1 32 32 ASP HA H 1 4.5900 0.0000 . 1 . . . . . 39 ASP HA . 51210 1 342 . 1 . 1 32 32 ASP HB2 H 1 2.0630 0.0000 . 1 . . . . . 39 ASP HB2 . 51210 1 343 . 1 . 1 32 32 ASP HB3 H 1 2.3340 0.0000 . 1 . . . . . 39 ASP HB3 . 51210 1 344 . 1 . 1 32 32 ASP C C 13 175.0000 0.0000 . 1 . . . . . 39 ASP C . 51210 1 345 . 1 . 1 32 32 ASP CA C 13 52.4000 0.0000 . 1 . . . . . 39 ASP CA . 51210 1 346 . 1 . 1 32 32 ASP CB C 13 43.7000 0.0000 . 1 . . . . . 39 ASP CB . 51210 1 347 . 1 . 1 32 32 ASP N N 15 120.0000 0.0000 . 1 . . . . . 39 ASP N . 51210 1 348 . 1 . 1 33 33 LEU H H 1 6.7300 0.0000 . 1 . . . . . 40 LEU H . 51210 1 349 . 1 . 1 33 33 LEU HA H 1 4.2400 0.0000 . 1 . . . . . 40 LEU HA . 51210 1 350 . 1 . 1 33 33 LEU HB2 H 1 1.5590 0.0000 . 1 . . . . . 40 LEU HB2 . 51210 1 351 . 1 . 1 33 33 LEU HB3 H 1 1.3790 0.0000 . 1 . . . . . 40 LEU HB3 . 51210 1 352 . 1 . 1 33 33 LEU HG H 1 1.3500 0.0000 . 1 . . . . . 40 LEU HG . 51210 1 353 . 1 . 1 33 33 LEU HD11 H 1 0.8280 0.0000 . 1 . . . . . 40 LEU HD11 . 51210 1 354 . 1 . 1 33 33 LEU HD12 H 1 0.8280 0.0000 . 1 . . . . . 40 LEU HD11 . 51210 1 355 . 1 . 1 33 33 LEU HD13 H 1 0.8280 0.0000 . 1 . . . . . 40 LEU HD11 . 51210 1 356 . 1 . 1 33 33 LEU HD21 H 1 0.6210 0.0000 . 1 . . . . . 40 LEU HD21 . 51210 1 357 . 1 . 1 33 33 LEU HD22 H 1 0.6210 0.0000 . 1 . . . . . 40 LEU HD21 . 51210 1 358 . 1 . 1 33 33 LEU HD23 H 1 0.6210 0.0000 . 1 . . . . . 40 LEU HD21 . 51210 1 359 . 1 . 1 33 33 LEU C C 13 177.5000 0.0000 . 1 . . . . . 40 LEU C . 51210 1 360 . 1 . 1 33 33 LEU CA C 13 54.9000 0.0000 . 1 . . . . . 40 LEU CA . 51210 1 361 . 1 . 1 33 33 LEU CB C 13 43.5000 0.0000 . 1 . . . . . 40 LEU CB . 51210 1 362 . 1 . 1 33 33 LEU CG C 13 26.8720 0.0000 . 1 . . . . . 40 LEU CG . 51210 1 363 . 1 . 1 33 33 LEU CD1 C 13 25.4660 0.0000 . 1 . . . . . 40 LEU CD1 . 51210 1 364 . 1 . 1 33 33 LEU CD2 C 13 24.4230 0.0000 . 1 . . . . . 40 LEU CD2 . 51210 1 365 . 1 . 1 33 33 LEU N N 15 118.7000 0.0000 . 1 . . . . . 40 LEU N . 51210 1 366 . 1 . 1 34 34 ARG H H 1 8.5400 0.0000 . 1 . . . . . 41 ARG H . 51210 1 367 . 1 . 1 34 34 ARG HA H 1 4.5700 0.0000 . 1 . . . . . 41 ARG HA . 51210 1 368 . 1 . 1 34 34 ARG HB2 H 1 1.3500 0.0000 . 1 . . . . . 41 ARG HB2 . 51210 1 369 . 1 . 1 34 34 ARG HB3 H 1 1.7710 0.0000 . 1 . . . . . 41 ARG HB3 . 51210 1 370 . 1 . 1 34 34 ARG HG2 H 1 1.6330 0.0000 . 1 . . . . . 41 ARG HG2 . 51210 1 371 . 1 . 1 34 34 ARG HG3 H 1 1.6330 0.0000 . 1 . . . . . 41 ARG HG3 . 51210 1 372 . 1 . 1 34 34 ARG HD2 H 1 3.0220 0.0000 . 1 . . . . . 41 ARG HD2 . 51210 1 373 . 1 . 1 34 34 ARG HD3 H 1 3.0220 0.0000 . 1 . . . . . 41 ARG HD3 . 51210 1 374 . 1 . 1 34 34 ARG C C 13 173.7000 0.0000 . 1 . . . . . 41 ARG C . 51210 1 375 . 1 . 1 34 34 ARG CA C 13 52.6000 0.0000 . 1 . . . . . 41 ARG CA . 51210 1 376 . 1 . 1 34 34 ARG CB C 13 29.5700 0.0000 . 1 . . . . . 41 ARG CB . 51210 1 377 . 1 . 1 34 34 ARG CG C 13 28.0320 0.0000 . 1 . . . . . 41 ARG CG . 51210 1 378 . 1 . 1 34 34 ARG CD C 13 43.0790 0.0000 . 1 . . . . . 41 ARG CD . 51210 1 379 . 1 . 1 34 34 ARG N N 15 125.3000 0.0000 . 1 . . . . . 41 ARG N . 51210 1 380 . 1 . 1 35 35 PRO HA H 1 4.3170 0.0000 . 1 . . . . . 42 PRO HA . 51210 1 381 . 1 . 1 35 35 PRO HB2 H 1 1.7580 0.0000 . 1 . . . . . 42 PRO HB2 . 51210 1 382 . 1 . 1 35 35 PRO HB3 H 1 2.1530 0.0000 . 1 . . . . . 42 PRO HB3 . 51210 1 383 . 1 . 1 35 35 PRO HG2 H 1 1.9200 0.0000 . 1 . . . . . 42 PRO HG2 . 51210 1 384 . 1 . 1 35 35 PRO HG3 H 1 1.9200 0.0000 . 1 . . . . . 42 PRO HG3 . 51210 1 385 . 1 . 1 35 35 PRO HD2 H 1 3.5610 0.0000 . 1 . . . . . 42 PRO HD2 . 51210 1 386 . 1 . 1 35 35 PRO HD3 H 1 3.5610 0.0000 . 1 . . . . . 42 PRO HD3 . 51210 1 387 . 1 . 1 35 35 PRO C C 13 175.8670 0.0000 . 1 . . . . . 42 PRO C . 51210 1 388 . 1 . 1 35 35 PRO CA C 13 62.8000 0.0000 . 1 . . . . . 42 PRO CA . 51210 1 389 . 1 . 1 35 35 PRO CB C 13 32.4000 0.0000 . 1 . . . . . 42 PRO CB . 51210 1 390 . 1 . 1 35 35 PRO CG C 13 27.1420 0.0000 . 1 . . . . . 42 PRO CG . 51210 1 391 . 1 . 1 35 35 PRO CD C 13 50.1680 0.0000 . 1 . . . . . 42 PRO CD . 51210 1 392 . 1 . 1 36 36 VAL H H 1 8.0100 0.0000 . 1 . . . . . 43 VAL H . 51210 1 393 . 1 . 1 36 36 VAL HA H 1 4.1600 0.0000 . 1 . . . . . 43 VAL HA . 51210 1 394 . 1 . 1 36 36 VAL HB H 1 1.7570 0.0000 . 1 . . . . . 43 VAL HB . 51210 1 395 . 1 . 1 36 36 VAL HG11 H 1 0.7266 0.0000 . 1 . . . . . 43 VAL HG11 . 51210 1 396 . 1 . 1 36 36 VAL HG12 H 1 0.7266 0.0000 . 1 . . . . . 43 VAL HG11 . 51210 1 397 . 1 . 1 36 36 VAL HG13 H 1 0.7266 0.0000 . 1 . . . . . 43 VAL HG11 . 51210 1 398 . 1 . 1 36 36 VAL HG21 H 1 0.8530 0.0000 . 1 . . . . . 43 VAL HG21 . 51210 1 399 . 1 . 1 36 36 VAL HG22 H 1 0.8530 0.0000 . 1 . . . . . 43 VAL HG21 . 51210 1 400 . 1 . 1 36 36 VAL HG23 H 1 0.8530 0.0000 . 1 . . . . . 43 VAL HG21 . 51210 1 401 . 1 . 1 36 36 VAL C C 13 174.3000 0.0000 . 1 . . . . . 43 VAL C . 51210 1 402 . 1 . 1 36 36 VAL CA C 13 60.2000 0.0000 . 1 . . . . . 43 VAL CA . 51210 1 403 . 1 . 1 36 36 VAL CB C 13 34.6900 0.0000 . 1 . . . . . 43 VAL CB . 51210 1 404 . 1 . 1 36 36 VAL CG1 C 13 20.2440 0.0000 . 1 . . . . . 43 VAL CG1 . 51210 1 405 . 1 . 1 36 36 VAL CG2 C 13 21.2970 0.0000 . 1 . . . . . 43 VAL CG2 . 51210 1 406 . 1 . 1 36 36 VAL N N 15 118.9000 0.0000 . 1 . . . . . 43 VAL N . 51210 1 407 . 1 . 1 37 37 ASN H H 1 8.4900 0.0000 . 1 . . . . . 44 ASN H . 51210 1 408 . 1 . 1 37 37 ASN HA H 1 4.6300 0.0000 . 1 . . . . . 44 ASN HA . 51210 1 409 . 1 . 1 37 37 ASN HB2 H 1 2.6040 0.0000 . 1 . . . . . 44 ASN HB2 . 51210 1 410 . 1 . 1 37 37 ASN HB3 H 1 2.6040 0.0000 . 1 . . . . . 44 ASN HB3 . 51210 1 411 . 1 . 1 37 37 ASN C C 13 174.6000 0.0000 . 1 . . . . . 44 ASN C . 51210 1 412 . 1 . 1 37 37 ASN CA C 13 52.8000 0.0000 . 1 . . . . . 44 ASN CA . 51210 1 413 . 1 . 1 37 37 ASN CB C 13 38.2000 0.0000 . 1 . . . . . 44 ASN CB . 51210 1 414 . 1 . 1 37 37 ASN N N 15 125.0000 0.0000 . 1 . . . . . 44 ASN N . 51210 1 415 . 1 . 1 38 38 ARG H H 1 8.3300 0.0000 . 1 . . . . . 45 ARG H . 51210 1 416 . 1 . 1 38 38 ARG HA H 1 4.1800 0.0000 . 1 . . . . . 45 ARG HA . 51210 1 417 . 1 . 1 38 38 ARG HB2 H 1 1.2480 0.0000 . 1 . . . . . 45 ARG HB2 . 51210 1 418 . 1 . 1 38 38 ARG HB3 H 1 1.4570 0.0000 . 1 . . . . . 45 ARG HB3 . 51210 1 419 . 1 . 1 38 38 ARG HG2 H 1 1.2180 0.0000 . 1 . . . . . 45 ARG HG2 . 51210 1 420 . 1 . 1 38 38 ARG HG3 H 1 1.2180 0.0000 . 1 . . . . . 45 ARG HG3 . 51210 1 421 . 1 . 1 38 38 ARG HD2 H 1 2.1450 0.0000 . 1 . . . . . 45 ARG HD2 . 51210 1 422 . 1 . 1 38 38 ARG HD3 H 1 1.6690 0.0000 . 1 . . . . . 45 ARG HD3 . 51210 1 423 . 1 . 1 38 38 ARG C C 13 175.4000 0.0000 . 1 . . . . . 45 ARG C . 51210 1 424 . 1 . 1 38 38 ARG CA C 13 53.8000 0.0000 . 1 . . . . . 45 ARG CA . 51210 1 425 . 1 . 1 38 38 ARG CB C 13 31.7000 0.0000 . 1 . . . . . 45 ARG CB . 51210 1 426 . 1 . 1 38 38 ARG CG C 13 26.5060 0.0000 . 1 . . . . . 45 ARG CG . 51210 1 427 . 1 . 1 38 38 ARG CD C 13 42.2450 0.0000 . 1 . . . . . 45 ARG CD . 51210 1 428 . 1 . 1 38 38 ARG N N 15 123.4000 0.0000 . 1 . . . . . 45 ARG N . 51210 1 429 . 1 . 1 39 39 HIS H H 1 8.7500 0.0000 . 1 . . . . . 46 HIS H . 51210 1 430 . 1 . 1 39 39 HIS HA H 1 4.2900 0.0000 . 1 . . . . . 46 HIS HA . 51210 1 431 . 1 . 1 39 39 HIS HB2 H 1 3.1730 0.0000 . 1 . . . . . 46 HIS HB2 . 51210 1 432 . 1 . 1 39 39 HIS HB3 H 1 2.6360 0.0000 . 1 . . . . . 46 HIS HB3 . 51210 1 433 . 1 . 1 39 39 HIS HD2 H 1 7.1480 0.0000 . 1 . . . . . 46 HIS HD2 . 51210 1 434 . 1 . 1 39 39 HIS HE1 H 1 7.5560 0.0000 . 1 . . . . . 46 HIS HE1 . 51210 1 435 . 1 . 1 39 39 HIS C C 13 175.8000 0.0000 . 1 . . . . . 46 HIS C . 51210 1 436 . 1 . 1 39 39 HIS CA C 13 56.7000 0.0000 . 1 . . . . . 46 HIS CA . 51210 1 437 . 1 . 1 39 39 HIS CB C 13 31.4000 0.0000 . 1 . . . . . 46 HIS CB . 51210 1 438 . 1 . 1 39 39 HIS CE1 C 13 138.2400 0.0000 . 1 . . . . . 46 HIS CE1 . 51210 1 439 . 1 . 1 39 39 HIS N N 15 124.7000 0.0000 . 1 . . . . . 46 HIS N . 51210 1 440 . 1 . 1 40 40 PRO HA H 1 4.2500 0.0000 . 1 . . . . . 47 PRO HA . 51210 1 441 . 1 . 1 40 40 PRO HB2 H 1 2.2900 0.0000 . 1 . . . . . 47 PRO HB2 . 51210 1 442 . 1 . 1 40 40 PRO HB3 H 1 1.9200 0.0000 . 1 . . . . . 47 PRO HB3 . 51210 1 443 . 1 . 1 40 40 PRO HG2 H 1 2.0200 0.0000 . 1 . . . . . 47 PRO HG2 . 51210 1 444 . 1 . 1 40 40 PRO HG3 H 1 2.0200 0.0000 . 1 . . . . . 47 PRO HG3 . 51210 1 445 . 1 . 1 40 40 PRO HD2 H 1 3.7490 0.0000 . 1 . . . . . 47 PRO HD2 . 51210 1 446 . 1 . 1 40 40 PRO HD3 H 1 3.7490 0.0000 . 1 . . . . . 47 PRO HD3 . 51210 1 447 . 1 . 1 40 40 PRO C C 13 178.2360 0.0000 . 1 . . . . . 47 PRO C . 51210 1 448 . 1 . 1 40 40 PRO CA C 13 65.4180 0.0000 . 1 . . . . . 47 PRO CA . 51210 1 449 . 1 . 1 40 40 PRO CB C 13 31.9900 0.0000 . 1 . . . . . 47 PRO CB . 51210 1 450 . 1 . 1 40 40 PRO CG C 13 27.4530 0.0000 . 1 . . . . . 47 PRO CG . 51210 1 451 . 1 . 1 40 40 PRO CD C 13 51.0030 0.0000 . 1 . . . . . 47 PRO CD . 51210 1 452 . 1 . 1 41 41 LYS H H 1 11.4100 0.0000 . 1 . . . . . 48 LYS H . 51210 1 453 . 1 . 1 41 41 LYS HA H 1 4.2500 0.0000 . 1 . . . . . 48 LYS HA . 51210 1 454 . 1 . 1 41 41 LYS HB2 H 1 1.4740 0.0000 . 1 . . . . . 48 LYS HB2 . 51210 1 455 . 1 . 1 41 41 LYS HB3 H 1 1.4740 0.0000 . 1 . . . . . 48 LYS HB3 . 51210 1 456 . 1 . 1 41 41 LYS C C 13 175.7000 0.0000 . 1 . . . . . 48 LYS C . 51210 1 457 . 1 . 1 41 41 LYS CA C 13 55.1000 0.0000 . 1 . . . . . 48 LYS CA . 51210 1 458 . 1 . 1 41 41 LYS CB C 13 31.4000 0.0000 . 1 . . . . . 48 LYS CB . 51210 1 459 . 1 . 1 41 41 LYS N N 15 119.5200 0.0000 . 1 . . . . . 48 LYS N . 51210 1 460 . 1 . 1 42 42 TYR H H 1 7.9600 0.0000 . 1 . . . . . 49 TYR H . 51210 1 461 . 1 . 1 42 42 TYR HA H 1 3.7200 0.0000 . 1 . . . . . 49 TYR HA . 51210 1 462 . 1 . 1 42 42 TYR HB2 H 1 2.7030 0.0000 . 1 . . . . . 49 TYR HB2 . 51210 1 463 . 1 . 1 42 42 TYR HB3 H 1 3.4090 0.0000 . 1 . . . . . 49 TYR HB3 . 51210 1 464 . 1 . 1 42 42 TYR HD1 H 1 6.9740 0.0000 . 1 . . . . . 49 TYR HD1 . 51210 1 465 . 1 . 1 42 42 TYR HD2 H 1 6.9740 0.0000 . 1 . . . . . 49 TYR HD2 . 51210 1 466 . 1 . 1 42 42 TYR HE1 H 1 6.7570 0.0000 . 1 . . . . . 49 TYR HE1 . 51210 1 467 . 1 . 1 42 42 TYR HE2 H 1 6.7570 0.0000 . 1 . . . . . 49 TYR HE2 . 51210 1 468 . 1 . 1 42 42 TYR C C 13 174.1000 0.0000 . 1 . . . . . 49 TYR C . 51210 1 469 . 1 . 1 42 42 TYR CA C 13 59.9000 0.0000 . 1 . . . . . 49 TYR CA . 51210 1 470 . 1 . 1 42 42 TYR CB C 13 39.8000 0.0000 . 1 . . . . . 49 TYR CB . 51210 1 471 . 1 . 1 42 42 TYR CD1 C 13 133.1500 0.0000 . 1 . . . . . 49 TYR CD1 . 51210 1 472 . 1 . 1 42 42 TYR CD2 C 13 133.1500 0.0000 . 1 . . . . . 49 TYR CD2 . 51210 1 473 . 1 . 1 42 42 TYR CE1 C 13 118.0200 0.0000 . 1 . . . . . 49 TYR CE1 . 51210 1 474 . 1 . 1 42 42 TYR CE2 C 13 118.0200 0.0000 . 1 . . . . . 49 TYR CE2 . 51210 1 475 . 1 . 1 42 42 TYR N N 15 122.2000 0.0000 . 1 . . . . . 49 TYR N . 51210 1 476 . 1 . 1 43 43 LYS H H 1 7.9800 0.0000 . 1 . . . . . 50 LYS H . 51210 1 477 . 1 . 1 43 43 LYS HA H 1 3.1200 0.0000 . 1 . . . . . 50 LYS HA . 51210 1 478 . 1 . 1 43 43 LYS HB2 H 1 1.3080 0.0000 . 1 . . . . . 50 LYS HB2 . 51210 1 479 . 1 . 1 43 43 LYS HB3 H 1 1.3080 0.0000 . 1 . . . . . 50 LYS HB3 . 51210 1 480 . 1 . 1 43 43 LYS HG2 H 1 0.0002 0.0000 . 1 . . . . . 50 LYS HG2 . 51210 1 481 . 1 . 1 43 43 LYS HG3 H 1 -0.5220 0.0000 . 1 . . . . . 50 LYS HG3 . 51210 1 482 . 1 . 1 43 43 LYS HD2 H 1 1.0720 0.0000 . 1 . . . . . 50 LYS HD2 . 51210 1 483 . 1 . 1 43 43 LYS HD3 H 1 0.8940 0.0000 . 1 . . . . . 50 LYS HD3 . 51210 1 484 . 1 . 1 43 43 LYS HE2 H 1 2.8050 0.0000 . 1 . . . . . 50 LYS HE2 . 51210 1 485 . 1 . 1 43 43 LYS HE3 H 1 2.7140 0.0000 . 1 . . . . . 50 LYS HE3 . 51210 1 486 . 1 . 1 43 43 LYS C C 13 173.7000 0.0000 . 1 . . . . . 50 LYS C . 51210 1 487 . 1 . 1 43 43 LYS CA C 13 57.6000 0.0000 . 1 . . . . . 50 LYS CA . 51210 1 488 . 1 . 1 43 43 LYS CB C 13 29.8000 0.0000 . 1 . . . . . 50 LYS CB . 51210 1 489 . 1 . 1 43 43 LYS CG C 13 24.7280 0.0000 . 1 . . . . . 50 LYS CG . 51210 1 490 . 1 . 1 43 43 LYS CD C 13 28.6890 0.0000 . 1 . . . . . 50 LYS CD . 51210 1 491 . 1 . 1 43 43 LYS CE C 13 42.1450 0.0000 . 1 . . . . . 50 LYS CE . 51210 1 492 . 1 . 1 43 43 LYS N N 15 120.7000 0.0000 . 1 . . . . . 50 LYS N . 51210 1 493 . 1 . 1 44 44 THR H H 1 7.7400 0.0000 . 1 . . . . . 51 THR H . 51210 1 494 . 1 . 1 44 44 THR HA H 1 4.5400 0.0000 . 1 . . . . . 51 THR HA . 51210 1 495 . 1 . 1 44 44 THR HB H 1 4.1610 0.0000 . 1 . . . . . 51 THR HB . 51210 1 496 . 1 . 1 44 44 THR HG21 H 1 0.9970 0.0000 . 1 . . . . . 51 THR HG21 . 51210 1 497 . 1 . 1 44 44 THR HG22 H 1 0.9970 0.0000 . 1 . . . . . 51 THR HG21 . 51210 1 498 . 1 . 1 44 44 THR HG23 H 1 0.9970 0.0000 . 1 . . . . . 51 THR HG21 . 51210 1 499 . 1 . 1 44 44 THR C C 13 175.3000 0.0000 . 1 . . . . . 51 THR C . 51210 1 500 . 1 . 1 44 44 THR CA C 13 62.5000 0.0000 . 1 . . . . . 51 THR CA . 51210 1 501 . 1 . 1 44 44 THR CB C 13 71.7000 0.0000 . 1 . . . . . 51 THR CB . 51210 1 502 . 1 . 1 44 44 THR CG2 C 13 21.1490 0.0000 . 1 . . . . . 51 THR CG2 . 51210 1 503 . 1 . 1 44 44 THR N N 15 105.7000 0.0000 . 1 . . . . . 51 THR N . 51210 1 504 . 1 . 1 45 45 GLU H H 1 9.1800 0.0000 . 1 . . . . . 52 GLU H . 51210 1 505 . 1 . 1 45 45 GLU HA H 1 4.8900 0.0000 . 1 . . . . . 52 GLU HA . 51210 1 506 . 1 . 1 45 45 GLU HB2 H 1 2.1960 0.0000 . 1 . . . . . 52 GLU HB2 . 51210 1 507 . 1 . 1 45 45 GLU HB3 H 1 2.0390 0.0000 . 1 . . . . . 52 GLU HB3 . 51210 1 508 . 1 . 1 45 45 GLU HG2 H 1 2.4750 0.0000 . 1 . . . . . 52 GLU HG2 . 51210 1 509 . 1 . 1 45 45 GLU HG3 H 1 2.4750 0.0000 . 1 . . . . . 52 GLU HG3 . 51210 1 510 . 1 . 1 45 45 GLU C C 13 175.5000 0.0000 . 1 . . . . . 52 GLU C . 51210 1 511 . 1 . 1 45 45 GLU CA C 13 54.4000 0.0000 . 1 . . . . . 52 GLU CA . 51210 1 512 . 1 . 1 45 45 GLU CB C 13 33.4000 0.0000 . 1 . . . . . 52 GLU CB . 51210 1 513 . 1 . 1 45 45 GLU CG C 13 36.0530 0.0000 . 1 . . . . . 52 GLU CG . 51210 1 514 . 1 . 1 45 45 GLU N N 15 124.8000 0.0000 . 1 . . . . . 52 GLU N . 51210 1 515 . 1 . 1 46 46 VAL H H 1 8.9000 0.0000 . 1 . . . . . 53 VAL H . 51210 1 516 . 1 . 1 46 46 VAL HA H 1 4.0000 0.0000 . 1 . . . . . 53 VAL HA . 51210 1 517 . 1 . 1 46 46 VAL HB H 1 2.0550 0.0000 . 1 . . . . . 53 VAL HB . 51210 1 518 . 1 . 1 46 46 VAL HG21 H 1 1.0650 0.0000 . 1 . . . . . 53 VAL HG21 . 51210 1 519 . 1 . 1 46 46 VAL HG22 H 1 1.0650 0.0000 . 1 . . . . . 53 VAL HG21 . 51210 1 520 . 1 . 1 46 46 VAL HG23 H 1 1.0650 0.0000 . 1 . . . . . 53 VAL HG21 . 51210 1 521 . 1 . 1 46 46 VAL C C 13 175.9000 0.0000 . 1 . . . . . 53 VAL C . 51210 1 522 . 1 . 1 46 46 VAL CA C 13 64.2000 0.0000 . 1 . . . . . 53 VAL CA . 51210 1 523 . 1 . 1 46 46 VAL CB C 13 32.7000 0.0000 . 1 . . . . . 53 VAL CB . 51210 1 524 . 1 . 1 46 46 VAL CG2 C 13 21.9970 0.0000 . 1 . . . . . 53 VAL CG2 . 51210 1 525 . 1 . 1 46 46 VAL N N 15 123.0000 0.0000 . 1 . . . . . 53 VAL N . 51210 1 526 . 1 . 1 47 47 CYS H H 1 9.2600 0.0000 . 1 . . . . . 54 CYS H . 51210 1 527 . 1 . 1 47 47 CYS HA H 1 4.6900 0.0000 . 1 . . . . . 54 CYS HA . 51210 1 528 . 1 . 1 47 47 CYS HB2 H 1 2.9860 0.0000 . 1 . . . . . 54 CYS HB2 . 51210 1 529 . 1 . 1 47 47 CYS HB3 H 1 3.3710 0.0000 . 1 . . . . . 54 CYS HB3 . 51210 1 530 . 1 . 1 47 47 CYS C C 13 177.2600 0.0000 . 1 . . . . . 54 CYS C . 51210 1 531 . 1 . 1 47 47 CYS CA C 13 59.7000 0.0000 . 1 . . . . . 54 CYS CA . 51210 1 532 . 1 . 1 47 47 CYS CB C 13 31.7000 0.0000 . 1 . . . . . 54 CYS CB . 51210 1 533 . 1 . 1 47 47 CYS N N 15 130.7000 0.0000 . 1 . . . . . 54 CYS N . 51210 1 534 . 1 . 1 48 48 ARG H H 1 11.2800 0.0000 . 1 . . . . . 55 ARG H . 51210 1 535 . 1 . 1 48 48 ARG HA H 1 4.1000 0.0000 . 1 . . . . . 55 ARG HA . 51210 1 536 . 1 . 1 48 48 ARG HB2 H 1 1.6300 0.0000 . 1 . . . . . 55 ARG HB2 . 51210 1 537 . 1 . 1 48 48 ARG HB3 H 1 1.6300 0.0000 . 1 . . . . . 55 ARG HB3 . 51210 1 538 . 1 . 1 48 48 ARG HG2 H 1 1.5500 0.0000 . 1 . . . . . 55 ARG HG2 . 51210 1 539 . 1 . 1 48 48 ARG HG3 H 1 1.3850 0.0000 . 1 . . . . . 55 ARG HG3 . 51210 1 540 . 1 . 1 48 48 ARG HD2 H 1 2.6226 0.0000 . 1 . . . . . 55 ARG HD2 . 51210 1 541 . 1 . 1 48 48 ARG HD3 H 1 2.6226 0.0000 . 1 . . . . . 55 ARG HD3 . 51210 1 542 . 1 . 1 48 48 ARG C C 13 178.2000 0.0000 . 1 . . . . . 55 ARG C . 51210 1 543 . 1 . 1 48 48 ARG CA C 13 59.4000 0.0000 . 1 . . . . . 55 ARG CA . 51210 1 544 . 1 . 1 48 48 ARG CB C 13 30.7000 0.0000 . 1 . . . . . 55 ARG CB . 51210 1 545 . 1 . 1 48 48 ARG CG C 13 27.7270 0.0000 . 1 . . . . . 55 ARG CG . 51210 1 546 . 1 . 1 48 48 ARG CD C 13 43.6060 0.0000 . 1 . . . . . 55 ARG CD . 51210 1 547 . 1 . 1 48 48 ARG N N 15 135.5000 0.0000 . 1 . . . . . 55 ARG N . 51210 1 548 . 1 . 1 49 49 THR H H 1 8.2200 0.0000 . 1 . . . . . 56 THR H . 51210 1 549 . 1 . 1 49 49 THR HA H 1 4.1500 0.0000 . 1 . . . . . 56 THR HA . 51210 1 550 . 1 . 1 49 49 THR HB H 1 4.5818 0.0000 . 1 . . . . . 56 THR HB . 51210 1 551 . 1 . 1 49 49 THR HG21 H 1 1.5580 0.0000 . 1 . . . . . 56 THR HG21 . 51210 1 552 . 1 . 1 49 49 THR HG22 H 1 1.5580 0.0000 . 1 . . . . . 56 THR HG21 . 51210 1 553 . 1 . 1 49 49 THR HG23 H 1 1.5580 0.0000 . 1 . . . . . 56 THR HG21 . 51210 1 554 . 1 . 1 49 49 THR C C 13 175.8300 0.0000 . 1 . . . . . 56 THR C . 51210 1 555 . 1 . 1 49 49 THR CA C 13 65.7000 0.0000 . 1 . . . . . 56 THR CA . 51210 1 556 . 1 . 1 49 49 THR CB C 13 68.7000 0.0000 . 1 . . . . . 56 THR CB . 51210 1 557 . 1 . 1 49 49 THR CG2 C 13 23.5790 0.0000 . 1 . . . . . 56 THR CG2 . 51210 1 558 . 1 . 1 49 49 THR N N 15 120.6000 0.0000 . 1 . . . . . 56 THR N . 51210 1 559 . 1 . 1 50 50 PHE H H 1 9.7300 0.0000 . 1 . . . . . 57 PHE H . 51210 1 560 . 1 . 1 50 50 PHE HA H 1 3.7000 0.0000 . 1 . . . . . 57 PHE HA . 51210 1 561 . 1 . 1 50 50 PHE HB2 H 1 2.8710 0.0000 . 1 . . . . . 57 PHE HB2 . 51210 1 562 . 1 . 1 50 50 PHE HB3 H 1 3.1580 0.0000 . 1 . . . . . 57 PHE HB3 . 51210 1 563 . 1 . 1 50 50 PHE HD1 H 1 6.5799 0.0000 . 1 . . . . . 57 PHE HD1 . 51210 1 564 . 1 . 1 50 50 PHE HD2 H 1 6.5799 0.0000 . 1 . . . . . 57 PHE HD2 . 51210 1 565 . 1 . 1 50 50 PHE HE1 H 1 7.1860 0.0000 . 1 . . . . . 57 PHE HE1 . 51210 1 566 . 1 . 1 50 50 PHE HE2 H 1 7.1860 0.0000 . 1 . . . . . 57 PHE HE2 . 51210 1 567 . 1 . 1 50 50 PHE C C 13 179.0000 0.0000 . 1 . . . . . 57 PHE C . 51210 1 568 . 1 . 1 50 50 PHE CA C 13 61.9000 0.0000 . 1 . . . . . 57 PHE CA . 51210 1 569 . 1 . 1 50 50 PHE CB C 13 39.2000 0.0000 . 1 . . . . . 57 PHE CB . 51210 1 570 . 1 . 1 50 50 PHE CD1 C 13 130.9800 0.0000 . 1 . . . . . 57 PHE CD1 . 51210 1 571 . 1 . 1 50 50 PHE CD2 C 13 130.9800 0.0000 . 1 . . . . . 57 PHE CD2 . 51210 1 572 . 1 . 1 50 50 PHE CE1 C 13 130.9400 0.0000 . 1 . . . . . 57 PHE CE1 . 51210 1 573 . 1 . 1 50 50 PHE CE2 C 13 130.9400 0.0000 . 1 . . . . . 57 PHE CE2 . 51210 1 574 . 1 . 1 50 50 PHE N N 15 126.9000 0.0000 . 1 . . . . . 57 PHE N . 51210 1 575 . 1 . 1 51 51 SER H H 1 8.2700 0.0000 . 1 . . . . . 58 SER H . 51210 1 576 . 1 . 1 51 51 SER HA H 1 4.1800 0.0000 . 1 . . . . . 58 SER HA . 51210 1 577 . 1 . 1 51 51 SER HB2 H 1 3.9960 0.0000 . 1 . . . . . 58 SER HB2 . 51210 1 578 . 1 . 1 51 51 SER HB3 H 1 3.9960 0.0000 . 1 . . . . . 58 SER HB3 . 51210 1 579 . 1 . 1 51 51 SER C C 13 175.1400 0.0000 . 1 . . . . . 58 SER C . 51210 1 580 . 1 . 1 51 51 SER CA C 13 61.3000 0.0000 . 1 . . . . . 58 SER CA . 51210 1 581 . 1 . 1 51 51 SER CB C 13 63.4000 0.0000 . 1 . . . . . 58 SER CB . 51210 1 582 . 1 . 1 51 51 SER N N 15 111.6000 0.0000 . 1 . . . . . 58 SER N . 51210 1 583 . 1 . 1 52 52 ALA H H 1 7.1700 0.0000 . 1 . . . . . 59 ALA H . 51210 1 584 . 1 . 1 52 52 ALA HA H 1 4.3300 0.0000 . 1 . . . . . 59 ALA HA . 51210 1 585 . 1 . 1 52 52 ALA HB1 H 1 1.5070 0.0000 . 1 . . . . . 59 ALA HB1 . 51210 1 586 . 1 . 1 52 52 ALA HB2 H 1 1.5070 0.0000 . 1 . . . . . 59 ALA HB1 . 51210 1 587 . 1 . 1 52 52 ALA HB3 H 1 1.5070 0.0000 . 1 . . . . . 59 ALA HB1 . 51210 1 588 . 1 . 1 52 52 ALA C C 13 178.9000 0.0000 . 1 . . . . . 59 ALA C . 51210 1 589 . 1 . 1 52 52 ALA CA C 13 54.0000 0.0000 . 1 . . . . . 59 ALA CA . 51210 1 590 . 1 . 1 52 52 ALA CB C 13 19.6000 0.0000 . 1 . . . . . 59 ALA CB . 51210 1 591 . 1 . 1 52 52 ALA N N 15 121.0000 0.0000 . 1 . . . . . 59 ALA N . 51210 1 592 . 1 . 1 53 53 ALA H H 1 8.2700 0.0000 . 1 . . . . . 60 ALA H . 51210 1 593 . 1 . 1 53 53 ALA HA H 1 4.5200 0.0000 . 1 . . . . . 60 ALA HA . 51210 1 594 . 1 . 1 53 53 ALA HB1 H 1 1.4290 0.0000 . 1 . . . . . 60 ALA HB1 . 51210 1 595 . 1 . 1 53 53 ALA HB2 H 1 1.4290 0.0000 . 1 . . . . . 60 ALA HB1 . 51210 1 596 . 1 . 1 53 53 ALA HB3 H 1 1.4290 0.0000 . 1 . . . . . 60 ALA HB1 . 51210 1 597 . 1 . 1 53 53 ALA C C 13 178.6000 0.0000 . 1 . . . . . 60 ALA C . 51210 1 598 . 1 . 1 53 53 ALA CA C 13 52.5000 0.0000 . 1 . . . . . 60 ALA CA . 51210 1 599 . 1 . 1 53 53 ALA CB C 13 20.8000 0.0000 . 1 . . . . . 60 ALA CB . 51210 1 600 . 1 . 1 53 53 ALA N N 15 117.3000 0.0000 . 1 . . . . . 60 ALA N . 51210 1 601 . 1 . 1 54 54 GLY H H 1 8.1900 0.0000 . 1 . . . . . 61 GLY H . 51210 1 602 . 1 . 1 54 54 GLY HA2 H 1 2.7660 0.0000 . 1 . . . . . 61 GLY HA2 . 51210 1 603 . 1 . 1 54 54 GLY HA3 H 1 3.7040 0.0000 . 1 . . . . . 61 GLY HA3 . 51210 1 604 . 1 . 1 54 54 GLY C C 13 171.6000 0.0000 . 1 . . . . . 61 GLY C . 51210 1 605 . 1 . 1 54 54 GLY CA C 13 44.9000 0.0000 . 1 . . . . . 61 GLY CA . 51210 1 606 . 1 . 1 54 54 GLY N N 15 108.2000 0.0000 . 1 . . . . . 61 GLY N . 51210 1 607 . 1 . 1 55 55 THR H H 1 6.9200 0.0000 . 1 . . . . . 62 THR H . 51210 1 608 . 1 . 1 55 55 THR HA H 1 4.2400 0.0000 . 1 . . . . . 62 THR HA . 51210 1 609 . 1 . 1 55 55 THR HB H 1 3.9810 0.0000 . 1 . . . . . 62 THR HB . 51210 1 610 . 1 . 1 55 55 THR HG21 H 1 0.9070 0.0000 . 1 . . . . . 62 THR HG21 . 51210 1 611 . 1 . 1 55 55 THR HG22 H 1 0.9070 0.0000 . 1 . . . . . 62 THR HG21 . 51210 1 612 . 1 . 1 55 55 THR HG23 H 1 0.9070 0.0000 . 1 . . . . . 62 THR HG21 . 51210 1 613 . 1 . 1 55 55 THR C C 13 170.7000 0.0000 . 1 . . . . . 62 THR C . 51210 1 614 . 1 . 1 55 55 THR CA C 13 59.6000 0.0000 . 1 . . . . . 62 THR CA . 51210 1 615 . 1 . 1 55 55 THR CB C 13 70.1000 0.0000 . 1 . . . . . 62 THR CB . 51210 1 616 . 1 . 1 55 55 THR CG2 C 13 19.7120 0.0000 . 1 . . . . . 62 THR CG2 . 51210 1 617 . 1 . 1 55 55 THR N N 15 109.6000 0.0000 . 1 . . . . . 62 THR N . 51210 1 618 . 1 . 1 56 56 CYS H H 1 8.1800 0.0000 . 1 . . . . . 63 CYS H . 51210 1 619 . 1 . 1 56 56 CYS HA H 1 5.0400 0.0000 . 1 . . . . . 63 CYS HA . 51210 1 620 . 1 . 1 56 56 CYS HB2 H 1 2.7590 0.0000 . 1 . . . . . 63 CYS HB2 . 51210 1 621 . 1 . 1 56 56 CYS HB3 H 1 3.0700 0.0000 . 1 . . . . . 63 CYS HB3 . 51210 1 622 . 1 . 1 56 56 CYS C C 13 175.6000 0.0000 . 1 . . . . . 63 CYS C . 51210 1 623 . 1 . 1 56 56 CYS CA C 13 56.0000 0.0000 . 1 . . . . . 63 CYS CA . 51210 1 624 . 1 . 1 56 56 CYS CB C 13 33.7000 0.0000 . 1 . . . . . 63 CYS CB . 51210 1 625 . 1 . 1 56 56 CYS N N 15 124.5000 0.0000 . 1 . . . . . 63 CYS N . 51210 1 626 . 1 . 1 57 57 PRO HA H 1 4.5500 0.0000 . 1 . . . . . 64 PRO HA . 51210 1 627 . 1 . 1 57 57 PRO HB2 H 1 2.3410 0.0000 . 1 . . . . . 64 PRO HB2 . 51210 1 628 . 1 . 1 57 57 PRO HB3 H 1 2.2340 0.0000 . 1 . . . . . 64 PRO HB3 . 51210 1 629 . 1 . 1 57 57 PRO HG2 H 1 2.1550 0.0000 . 1 . . . . . 64 PRO HG2 . 51210 1 630 . 1 . 1 57 57 PRO HG3 H 1 1.8940 0.0000 . 1 . . . . . 64 PRO HG3 . 51210 1 631 . 1 . 1 57 57 PRO HD2 H 1 4.4420 0.0000 . 1 . . . . . 64 PRO HD2 . 51210 1 632 . 1 . 1 57 57 PRO HD3 H 1 3.9050 0.0000 . 1 . . . . . 64 PRO HD3 . 51210 1 633 . 1 . 1 57 57 PRO C C 13 178.0610 0.0000 . 1 . . . . . 64 PRO C . 51210 1 634 . 1 . 1 57 57 PRO CA C 13 64.8400 0.0000 . 1 . . . . . 64 PRO CA . 51210 1 635 . 1 . 1 57 57 PRO CB C 13 31.4000 0.0000 . 1 . . . . . 64 PRO CB . 51210 1 636 . 1 . 1 57 57 PRO CG C 13 26.6500 0.0000 . 1 . . . . . 64 PRO CG . 51210 1 637 . 1 . 1 57 57 PRO CD C 13 52.3540 0.0000 . 1 . . . . . 64 PRO CD . 51210 1 638 . 1 . 1 58 58 TYR H H 1 9.1600 0.0000 . 1 . . . . . 65 TYR H . 51210 1 639 . 1 . 1 58 58 TYR HA H 1 4.4600 0.0000 . 1 . . . . . 65 TYR HA . 51210 1 640 . 1 . 1 58 58 TYR HB2 H 1 2.5780 0.0000 . 1 . . . . . 65 TYR HB2 . 51210 1 641 . 1 . 1 58 58 TYR HB3 H 1 3.3080 0.0000 . 1 . . . . . 65 TYR HB3 . 51210 1 642 . 1 . 1 58 58 TYR HD1 H 1 6.9280 0.0000 . 1 . . . . . 65 TYR HD1 . 51210 1 643 . 1 . 1 58 58 TYR HD2 H 1 6.9280 0.0000 . 1 . . . . . 65 TYR HD2 . 51210 1 644 . 1 . 1 58 58 TYR HE1 H 1 6.8995 0.0000 . 1 . . . . . 65 TYR HE1 . 51210 1 645 . 1 . 1 58 58 TYR HE2 H 1 6.8995 0.0000 . 1 . . . . . 65 TYR HE2 . 51210 1 646 . 1 . 1 58 58 TYR C C 13 177.5000 0.0000 . 1 . . . . . 65 TYR C . 51210 1 647 . 1 . 1 58 58 TYR CA C 13 60.7000 0.0000 . 1 . . . . . 65 TYR CA . 51210 1 648 . 1 . 1 58 58 TYR CB C 13 37.9000 0.0000 . 1 . . . . . 65 TYR CB . 51210 1 649 . 1 . 1 58 58 TYR CD1 C 13 132.5100 0.0000 . 1 . . . . . 65 TYR CD1 . 51210 1 650 . 1 . 1 58 58 TYR CD2 C 13 132.5100 0.0000 . 1 . . . . . 65 TYR CD2 . 51210 1 651 . 1 . 1 58 58 TYR CE1 C 13 118.1500 0.0000 . 1 . . . . . 65 TYR CE1 . 51210 1 652 . 1 . 1 58 58 TYR CE2 C 13 118.1500 0.0000 . 1 . . . . . 65 TYR CE2 . 51210 1 653 . 1 . 1 58 58 TYR N N 15 121.2000 0.0000 . 1 . . . . . 65 TYR N . 51210 1 654 . 1 . 1 59 59 GLY H H 1 7.9300 0.0000 . 1 . . . . . 66 GLY H . 51210 1 655 . 1 . 1 59 59 GLY HA2 H 1 4.1130 0.0000 . 1 . . . . . 66 GLY HA2 . 51210 1 656 . 1 . 1 59 59 GLY HA3 H 1 4.1130 0.0000 . 1 . . . . . 66 GLY HA3 . 51210 1 657 . 1 . 1 59 59 GLY C C 13 176.5000 0.0000 . 1 . . . . . 66 GLY C . 51210 1 658 . 1 . 1 59 59 GLY CA C 13 47.8000 0.0000 . 1 . . . . . 66 GLY CA . 51210 1 659 . 1 . 1 59 59 GLY N N 15 107.8000 0.0000 . 1 . . . . . 66 GLY N . 51210 1 660 . 1 . 1 60 60 LYS H H 1 9.1300 0.0000 . 1 . . . . . 67 LYS H . 51210 1 661 . 1 . 1 60 60 LYS HA H 1 4.2900 0.0000 . 1 . . . . . 67 LYS HA . 51210 1 662 . 1 . 1 60 60 LYS HB2 H 1 2.0320 0.0000 . 1 . . . . . 67 LYS HB2 . 51210 1 663 . 1 . 1 60 60 LYS HB3 H 1 2.0320 0.0000 . 1 . . . . . 67 LYS HB3 . 51210 1 664 . 1 . 1 60 60 LYS HG2 H 1 1.5990 0.0000 . 1 . . . . . 67 LYS HG2 . 51210 1 665 . 1 . 1 60 60 LYS HG3 H 1 1.5990 0.0000 . 1 . . . . . 67 LYS HG3 . 51210 1 666 . 1 . 1 60 60 LYS HD2 H 1 1.7870 0.0000 . 1 . . . . . 67 LYS HD2 . 51210 1 667 . 1 . 1 60 60 LYS HD3 H 1 1.9780 0.0000 . 1 . . . . . 67 LYS HD3 . 51210 1 668 . 1 . 1 60 60 LYS HE2 H 1 3.1220 0.0000 . 1 . . . . . 67 LYS HE2 . 51210 1 669 . 1 . 1 60 60 LYS HE3 H 1 3.1220 0.0000 . 1 . . . . . 67 LYS HE3 . 51210 1 670 . 1 . 1 60 60 LYS C C 13 177.3000 0.0000 . 1 . . . . . 67 LYS C . 51210 1 671 . 1 . 1 60 60 LYS CA C 13 58.2000 0.0000 . 1 . . . . . 67 LYS CA . 51210 1 672 . 1 . 1 60 60 LYS CB C 13 31.7600 0.0000 . 1 . . . . . 67 LYS CB . 51210 1 673 . 1 . 1 60 60 LYS CG C 13 24.9320 0.0000 . 1 . . . . . 67 LYS CG . 51210 1 674 . 1 . 1 60 60 LYS CD C 13 29.2620 0.0000 . 1 . . . . . 67 LYS CD . 51210 1 675 . 1 . 1 60 60 LYS CE C 13 42.0110 0.0000 . 1 . . . . . 67 LYS CE . 51210 1 676 . 1 . 1 60 60 LYS N N 15 126.8000 0.0000 . 1 . . . . . 67 LYS N . 51210 1 677 . 1 . 1 61 61 ARG H H 1 8.7300 0.0000 . 1 . . . . . 68 ARG H . 51210 1 678 . 1 . 1 61 61 ARG HA H 1 4.5800 0.0000 . 1 . . . . . 68 ARG HA . 51210 1 679 . 1 . 1 61 61 ARG HB2 H 1 2.3380 0.0000 . 1 . . . . . 68 ARG HB2 . 51210 1 680 . 1 . 1 61 61 ARG HB3 H 1 2.3380 0.0000 . 1 . . . . . 68 ARG HB3 . 51210 1 681 . 1 . 1 61 61 ARG HG2 H 1 1.8780 0.0000 . 1 . . . . . 68 ARG HG2 . 51210 1 682 . 1 . 1 61 61 ARG HG3 H 1 1.8780 0.0000 . 1 . . . . . 68 ARG HG3 . 51210 1 683 . 1 . 1 61 61 ARG C C 13 175.5000 0.0000 . 1 . . . . . 68 ARG C . 51210 1 684 . 1 . 1 61 61 ARG CA C 13 56.6000 0.0000 . 1 . . . . . 68 ARG CA . 51210 1 685 . 1 . 1 61 61 ARG CB C 13 30.1000 0.0000 . 1 . . . . . 68 ARG CB . 51210 1 686 . 1 . 1 61 61 ARG CG C 13 27.9780 0.0000 . 1 . . . . . 68 ARG CG . 51210 1 687 . 1 . 1 61 61 ARG N N 15 118.9000 0.0000 . 1 . . . . . 68 ARG N . 51210 1 688 . 1 . 1 62 62 CYS H H 1 7.3400 0.0000 . 1 . . . . . 69 CYS H . 51210 1 689 . 1 . 1 62 62 CYS HA H 1 4.0600 0.0000 . 1 . . . . . 69 CYS HA . 51210 1 690 . 1 . 1 62 62 CYS HB2 H 1 2.3130 0.0000 . 1 . . . . . 69 CYS HB2 . 51210 1 691 . 1 . 1 62 62 CYS HB3 H 1 2.9560 0.0000 . 1 . . . . . 69 CYS HB3 . 51210 1 692 . 1 . 1 62 62 CYS C C 13 177.2000 0.0000 . 1 . . . . . 69 CYS C . 51210 1 693 . 1 . 1 62 62 CYS CA C 13 61.6000 0.0000 . 1 . . . . . 69 CYS CA . 51210 1 694 . 1 . 1 62 62 CYS CB C 13 31.1000 0.0000 . 1 . . . . . 69 CYS CB . 51210 1 695 . 1 . 1 62 62 CYS N N 15 124.2000 0.0000 . 1 . . . . . 69 CYS N . 51210 1 696 . 1 . 1 63 63 ARG H H 1 8.5100 0.0000 . 1 . . . . . 70 ARG H . 51210 1 697 . 1 . 1 63 63 ARG HA H 1 4.1390 0.0000 . 1 . . . . . 70 ARG HA . 51210 1 698 . 1 . 1 63 63 ARG HB2 H 1 0.8410 0.0000 . 1 . . . . . 70 ARG HB2 . 51210 1 699 . 1 . 1 63 63 ARG HB3 H 1 2.1190 0.0000 . 1 . . . . . 70 ARG HB3 . 51210 1 700 . 1 . 1 63 63 ARG HG2 H 1 1.9350 0.0000 . 1 . . . . . 70 ARG HG2 . 51210 1 701 . 1 . 1 63 63 ARG HG3 H 1 1.7370 0.0000 . 1 . . . . . 70 ARG HG3 . 51210 1 702 . 1 . 1 63 63 ARG HD2 H 1 3.4920 0.0000 . 1 . . . . . 70 ARG HD2 . 51210 1 703 . 1 . 1 63 63 ARG HD3 H 1 2.8270 0.0000 . 1 . . . . . 70 ARG HD3 . 51210 1 704 . 1 . 1 63 63 ARG C C 13 174.9000 0.0000 . 1 . . . . . 70 ARG C . 51210 1 705 . 1 . 1 63 63 ARG CA C 13 57.4000 0.0000 . 1 . . . . . 70 ARG CA . 51210 1 706 . 1 . 1 63 63 ARG CB C 13 30.1910 0.0000 . 1 . . . . . 70 ARG CB . 51210 1 707 . 1 . 1 63 63 ARG CG C 13 28.2920 0.0000 . 1 . . . . . 70 ARG CG . 51210 1 708 . 1 . 1 63 63 ARG CD C 13 44.6230 0.0000 . 1 . . . . . 70 ARG CD . 51210 1 709 . 1 . 1 63 63 ARG N N 15 125.8000 0.0000 . 1 . . . . . 70 ARG N . 51210 1 710 . 1 . 1 64 64 PHE H H 1 8.8200 0.0000 . 1 . . . . . 71 PHE H . 51210 1 711 . 1 . 1 64 64 PHE HA H 1 4.7100 0.0000 . 1 . . . . . 71 PHE HA . 51210 1 712 . 1 . 1 64 64 PHE HB2 H 1 2.8820 0.0000 . 1 . . . . . 71 PHE HB2 . 51210 1 713 . 1 . 1 64 64 PHE HB3 H 1 2.8820 0.0000 . 1 . . . . . 71 PHE HB3 . 51210 1 714 . 1 . 1 64 64 PHE HE1 H 1 6.6080 0.0000 . 1 . . . . . 71 PHE HE1 . 51210 1 715 . 1 . 1 64 64 PHE HE2 H 1 6.6080 0.0000 . 1 . . . . . 71 PHE HE2 . 51210 1 716 . 1 . 1 64 64 PHE C C 13 174.5000 0.0000 . 1 . . . . . 71 PHE C . 51210 1 717 . 1 . 1 64 64 PHE CA C 13 57.2000 0.0000 . 1 . . . . . 71 PHE CA . 51210 1 718 . 1 . 1 64 64 PHE CB C 13 39.2000 0.0000 . 1 . . . . . 71 PHE CB . 51210 1 719 . 1 . 1 64 64 PHE CE1 C 13 131.2400 0.0000 . 1 . . . . . 71 PHE CE1 . 51210 1 720 . 1 . 1 64 64 PHE CE2 C 13 131.2400 0.0000 . 1 . . . . . 71 PHE CE2 . 51210 1 721 . 1 . 1 64 64 PHE N N 15 124.9000 0.0000 . 1 . . . . . 71 PHE N . 51210 1 722 . 1 . 1 65 65 ILE H H 1 9.1700 0.0000 . 1 . . . . . 72 ILE H . 51210 1 723 . 1 . 1 65 65 ILE HA H 1 3.2600 0.0000 . 1 . . . . . 72 ILE HA . 51210 1 724 . 1 . 1 65 65 ILE HB H 1 1.4040 0.0000 . 1 . . . . . 72 ILE HB . 51210 1 725 . 1 . 1 65 65 ILE HG12 H 1 1.1000 0.0000 . 1 . . . . . 72 ILE HG12 . 51210 1 726 . 1 . 1 65 65 ILE HG13 H 1 0.5380 0.0000 . 1 . . . . . 72 ILE HG13 . 51210 1 727 . 1 . 1 65 65 ILE HG21 H 1 0.7350 0.0000 . 1 . . . . . 72 ILE HG21 . 51210 1 728 . 1 . 1 65 65 ILE HG22 H 1 0.7350 0.0000 . 1 . . . . . 72 ILE HG21 . 51210 1 729 . 1 . 1 65 65 ILE HG23 H 1 0.7350 0.0000 . 1 . . . . . 72 ILE HG21 . 51210 1 730 . 1 . 1 65 65 ILE HD11 H 1 0.4930 0.0000 . 1 . . . . . 72 ILE HD11 . 51210 1 731 . 1 . 1 65 65 ILE HD12 H 1 0.4930 0.0000 . 1 . . . . . 72 ILE HD11 . 51210 1 732 . 1 . 1 65 65 ILE HD13 H 1 0.4930 0.0000 . 1 . . . . . 72 ILE HD11 . 51210 1 733 . 1 . 1 65 65 ILE C C 13 177.1000 0.0000 . 1 . . . . . 72 ILE C . 51210 1 734 . 1 . 1 65 65 ILE CA C 13 63.9000 0.0000 . 1 . . . . . 72 ILE CA . 51210 1 735 . 1 . 1 65 65 ILE CB C 13 39.7000 0.0000 . 1 . . . . . 72 ILE CB . 51210 1 736 . 1 . 1 65 65 ILE CG1 C 13 28.4400 0.0000 . 1 . . . . . 72 ILE CG1 . 51210 1 737 . 1 . 1 65 65 ILE CG2 C 13 16.6300 0.0000 . 1 . . . . . 72 ILE CG2 . 51210 1 738 . 1 . 1 65 65 ILE CD1 C 13 14.0650 0.0000 . 1 . . . . . 72 ILE CD1 . 51210 1 739 . 1 . 1 65 65 ILE N N 15 119.9000 0.0000 . 1 . . . . . 72 ILE N . 51210 1 740 . 1 . 1 66 66 HIS H H 1 8.7400 0.0000 . 1 . . . . . 73 HIS H . 51210 1 741 . 1 . 1 66 66 HIS HA H 1 4.3200 0.0000 . 1 . . . . . 73 HIS HA . 51210 1 742 . 1 . 1 66 66 HIS HB2 H 1 1.0380 0.0000 . 1 . . . . . 73 HIS HB2 . 51210 1 743 . 1 . 1 66 66 HIS HB3 H 1 2.5630 0.0000 . 1 . . . . . 73 HIS HB3 . 51210 1 744 . 1 . 1 66 66 HIS HD2 H 1 6.4750 0.0000 . 1 . . . . . 73 HIS HD2 . 51210 1 745 . 1 . 1 66 66 HIS HE1 H 1 7.9640 0.0000 . 1 . . . . . 73 HIS HE1 . 51210 1 746 . 1 . 1 66 66 HIS C C 13 172.6000 0.0000 . 1 . . . . . 73 HIS C . 51210 1 747 . 1 . 1 66 66 HIS CA C 13 52.6000 0.0000 . 1 . . . . . 73 HIS CA . 51210 1 748 . 1 . 1 66 66 HIS CB C 13 27.3000 0.0000 . 1 . . . . . 73 HIS CB . 51210 1 749 . 1 . 1 66 66 HIS CD2 C 13 123.2600 0.0000 . 1 . . . . . 73 HIS CD2 . 51210 1 750 . 1 . 1 66 66 HIS CE1 C 13 139.2400 0.0000 . 1 . . . . . 73 HIS CE1 . 51210 1 751 . 1 . 1 66 66 HIS N N 15 129.5000 0.0000 . 1 . . . . . 73 HIS N . 51210 1 752 . 1 . 1 67 67 ALA H H 1 7.8900 0.0000 . 1 . . . . . 74 ALA H . 51210 1 753 . 1 . 1 67 67 ALA HA H 1 4.4400 0.0000 . 1 . . . . . 74 ALA HA . 51210 1 754 . 1 . 1 67 67 ALA HB1 H 1 1.3180 0.0000 . 1 . . . . . 74 ALA HB1 . 51210 1 755 . 1 . 1 67 67 ALA HB2 H 1 1.3180 0.0000 . 1 . . . . . 74 ALA HB1 . 51210 1 756 . 1 . 1 67 67 ALA HB3 H 1 1.3180 0.0000 . 1 . . . . . 74 ALA HB1 . 51210 1 757 . 1 . 1 67 67 ALA C C 13 176.1000 0.0000 . 1 . . . . . 74 ALA C . 51210 1 758 . 1 . 1 67 67 ALA CA C 13 51.9000 0.0000 . 1 . . . . . 74 ALA CA . 51210 1 759 . 1 . 1 67 67 ALA CB C 13 20.3000 0.0000 . 1 . . . . . 74 ALA CB . 51210 1 760 . 1 . 1 67 67 ALA N N 15 127.4000 0.0000 . 1 . . . . . 74 ALA N . 51210 1 761 . 1 . 1 68 68 THR H H 1 8.2300 0.0000 . 1 . . . . . 75 THR H . 51210 1 762 . 1 . 1 68 68 THR HA H 1 4.6800 0.0000 . 1 . . . . . 75 THR HA . 51210 1 763 . 1 . 1 68 68 THR HB H 1 4.2570 0.0000 . 1 . . . . . 75 THR HB . 51210 1 764 . 1 . 1 68 68 THR HG21 H 1 1.3540 0.0000 . 1 . . . . . 75 THR HG21 . 51210 1 765 . 1 . 1 68 68 THR HG22 H 1 1.3540 0.0000 . 1 . . . . . 75 THR HG21 . 51210 1 766 . 1 . 1 68 68 THR HG23 H 1 1.3540 0.0000 . 1 . . . . . 75 THR HG21 . 51210 1 767 . 1 . 1 68 68 THR C C 13 172.4000 0.0000 . 1 . . . . . 75 THR C . 51210 1 768 . 1 . 1 68 68 THR CA C 13 59.6000 0.0000 . 1 . . . . . 75 THR CA . 51210 1 769 . 1 . 1 68 68 THR CB C 13 69.8000 0.0000 . 1 . . . . . 75 THR CB . 51210 1 770 . 1 . 1 68 68 THR CG2 C 13 21.3660 0.0000 . 1 . . . . . 75 THR CG2 . 51210 1 771 . 1 . 1 68 68 THR N N 15 116.2000 0.0000 . 1 . . . . . 75 THR N . 51210 1 stop_ save_