data_11302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11302 _Entry.Title ; Solution structure of the N-terminal C2H2 type zinc-binding domain of the Zinc finger protein 64, isoforms 1 and 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11302 2 N. Tochio . . . 11302 3 S. Koshiba . . . 11302 4 M. Inoue . . . 11302 5 T. Kigawa . . . 11302 6 S. Yokoyama . . . 11302 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 11302 '15N chemical shifts' 75 11302 '1H chemical shifts' 561 11302 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 . . 2011-08-19 2010-08-09 original author . 11302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMD 'BMRB Entry Tracking System' 11302 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11302 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the N-terminal C2H2 type zinc-binding domain of the Zinc finger protein 64, isoforms 1 and 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11302 1 2 N. Tochio . . . 11302 1 3 S. Koshiba . . . 11302 1 4 M. Inoue . . . 11302 1 5 T. Kigawa . . . 11302 1 6 S. Yokoyama . . . 11302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11302 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 64, isoforms 1 and 2' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C2H2-type zinc-binding domain' 1 $entity_1 A . yes native no no . . . 11302 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11302 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11302 1 4 'ZINC ION no.3' 2 $ZN D . no native no no . . . 11302 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11302 1 2 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 14 14 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 14 CYS SG . . . . ZN 11302 1 3 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 27 27 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 27 HIS NE2 . . . . ZN 11302 1 4 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 31 31 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 HIS NE2 . . . . ZN 11302 1 5 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 39 39 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11302 1 6 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 42 42 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11302 1 7 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 55 55 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 HIS NE2 . . . . ZN 11302 1 8 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 59 59 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 HIS NE2 . . . . ZN 11302 1 9 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 67 67 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 67 CYS SG . . . . ZN 11302 1 10 coordination single . 1 'C2H2-type zinc-binding domain' 1 CYS 70 70 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 70 CYS SG . . . . ZN 11302 1 11 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 83 83 NE2 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 83 HIS NE2 . . . . ZN 11302 1 12 coordination single . 1 'C2H2-type zinc-binding domain' 1 HIS 87 87 NE2 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 87 HIS NE2 . . . . ZN 11302 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 83 83 HE2 . 83 HIS HE2 11302 1 . . 1 1 HIS 87 87 HE2 . 87 HIS HE2 11302 1 . . 1 1 CYS 67 67 HG . 67 CYS HG 11302 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 11302 1 . . 1 1 HIS 55 55 HE2 . 55 HIS HE2 11302 1 . . 1 1 HIS 59 59 HE2 . 59 HIS HE2 11302 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11302 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11302 1 . . 1 1 HIS 27 27 HE2 . 27 HIS HE2 11302 1 . . 1 1 HIS 31 31 HE2 . 31 HIS HE2 11302 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11302 1 . . 1 1 CYS 14 14 HG . 14 CYS HG 11302 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dmd . . . . . . 11302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11302 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2-type zinc-binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPHKCEVCGKCFSR KDKLKTHMRCHTGVKPYKCK TCDYAAADSSSLNKHLRIHS DERPFKCQICPYASRNSSQL TVHLRSHTGDSGPSSG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DMD . "Solution Structure Of The N-Terminal C2h2 Type Zinc-Binding Domain Of The Zinc Finger Protein 64, Isoforms 1 And 2" . . . . . 100.00 96 100.00 100.00 1.06e-61 . . . . 11302 1 2 no GB EDL06563 . "zinc finger protein 64, isoform CRA_c [Mus musculus]" . . . . . 85.42 272 98.78 98.78 6.54e-51 . . . . 11302 1 3 no REF XP_012374462 . "PREDICTED: zinc finger protein 64 isoform X6 [Dasypus novemcinctus]" . . . . . 85.42 337 98.78 98.78 2.65e-50 . . . . 11302 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2-type zinc-binding domain' . 11302 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11302 1 2 . SER . 11302 1 3 . SER . 11302 1 4 . GLY . 11302 1 5 . SER . 11302 1 6 . SER . 11302 1 7 . GLY . 11302 1 8 . PRO . 11302 1 9 . HIS . 11302 1 10 . LYS . 11302 1 11 . CYS . 11302 1 12 . GLU . 11302 1 13 . VAL . 11302 1 14 . CYS . 11302 1 15 . GLY . 11302 1 16 . LYS . 11302 1 17 . CYS . 11302 1 18 . PHE . 11302 1 19 . SER . 11302 1 20 . ARG . 11302 1 21 . LYS . 11302 1 22 . ASP . 11302 1 23 . LYS . 11302 1 24 . LEU . 11302 1 25 . LYS . 11302 1 26 . THR . 11302 1 27 . HIS . 11302 1 28 . MET . 11302 1 29 . ARG . 11302 1 30 . CYS . 11302 1 31 . HIS . 11302 1 32 . THR . 11302 1 33 . GLY . 11302 1 34 . VAL . 11302 1 35 . LYS . 11302 1 36 . PRO . 11302 1 37 . TYR . 11302 1 38 . LYS . 11302 1 39 . CYS . 11302 1 40 . LYS . 11302 1 41 . THR . 11302 1 42 . CYS . 11302 1 43 . ASP . 11302 1 44 . TYR . 11302 1 45 . ALA . 11302 1 46 . ALA . 11302 1 47 . ALA . 11302 1 48 . ASP . 11302 1 49 . SER . 11302 1 50 . SER . 11302 1 51 . SER . 11302 1 52 . LEU . 11302 1 53 . ASN . 11302 1 54 . LYS . 11302 1 55 . HIS . 11302 1 56 . LEU . 11302 1 57 . ARG . 11302 1 58 . ILE . 11302 1 59 . HIS . 11302 1 60 . SER . 11302 1 61 . ASP . 11302 1 62 . GLU . 11302 1 63 . ARG . 11302 1 64 . PRO . 11302 1 65 . PHE . 11302 1 66 . LYS . 11302 1 67 . CYS . 11302 1 68 . GLN . 11302 1 69 . ILE . 11302 1 70 . CYS . 11302 1 71 . PRO . 11302 1 72 . TYR . 11302 1 73 . ALA . 11302 1 74 . SER . 11302 1 75 . ARG . 11302 1 76 . ASN . 11302 1 77 . SER . 11302 1 78 . SER . 11302 1 79 . GLN . 11302 1 80 . LEU . 11302 1 81 . THR . 11302 1 82 . VAL . 11302 1 83 . HIS . 11302 1 84 . LEU . 11302 1 85 . ARG . 11302 1 86 . SER . 11302 1 87 . HIS . 11302 1 88 . THR . 11302 1 89 . GLY . 11302 1 90 . ASP . 11302 1 91 . SER . 11302 1 92 . GLY . 11302 1 93 . PRO . 11302 1 94 . SER . 11302 1 95 . SER . 11302 1 96 . GLY . 11302 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11302 1 . SER 2 2 11302 1 . SER 3 3 11302 1 . GLY 4 4 11302 1 . SER 5 5 11302 1 . SER 6 6 11302 1 . GLY 7 7 11302 1 . PRO 8 8 11302 1 . HIS 9 9 11302 1 . LYS 10 10 11302 1 . CYS 11 11 11302 1 . GLU 12 12 11302 1 . VAL 13 13 11302 1 . CYS 14 14 11302 1 . GLY 15 15 11302 1 . LYS 16 16 11302 1 . CYS 17 17 11302 1 . PHE 18 18 11302 1 . SER 19 19 11302 1 . ARG 20 20 11302 1 . LYS 21 21 11302 1 . ASP 22 22 11302 1 . LYS 23 23 11302 1 . LEU 24 24 11302 1 . LYS 25 25 11302 1 . THR 26 26 11302 1 . HIS 27 27 11302 1 . MET 28 28 11302 1 . ARG 29 29 11302 1 . CYS 30 30 11302 1 . HIS 31 31 11302 1 . THR 32 32 11302 1 . GLY 33 33 11302 1 . VAL 34 34 11302 1 . LYS 35 35 11302 1 . PRO 36 36 11302 1 . TYR 37 37 11302 1 . LYS 38 38 11302 1 . CYS 39 39 11302 1 . LYS 40 40 11302 1 . THR 41 41 11302 1 . CYS 42 42 11302 1 . ASP 43 43 11302 1 . TYR 44 44 11302 1 . ALA 45 45 11302 1 . ALA 46 46 11302 1 . ALA 47 47 11302 1 . ASP 48 48 11302 1 . SER 49 49 11302 1 . SER 50 50 11302 1 . SER 51 51 11302 1 . LEU 52 52 11302 1 . ASN 53 53 11302 1 . LYS 54 54 11302 1 . HIS 55 55 11302 1 . LEU 56 56 11302 1 . ARG 57 57 11302 1 . ILE 58 58 11302 1 . HIS 59 59 11302 1 . SER 60 60 11302 1 . ASP 61 61 11302 1 . GLU 62 62 11302 1 . ARG 63 63 11302 1 . PRO 64 64 11302 1 . PHE 65 65 11302 1 . LYS 66 66 11302 1 . CYS 67 67 11302 1 . GLN 68 68 11302 1 . ILE 69 69 11302 1 . CYS 70 70 11302 1 . PRO 71 71 11302 1 . TYR 72 72 11302 1 . ALA 73 73 11302 1 . SER 74 74 11302 1 . ARG 75 75 11302 1 . ASN 76 76 11302 1 . SER 77 77 11302 1 . SER 78 78 11302 1 . GLN 79 79 11302 1 . LEU 80 80 11302 1 . THR 81 81 11302 1 . VAL 82 82 11302 1 . HIS 83 83 11302 1 . LEU 84 84 11302 1 . ARG 85 85 11302 1 . SER 86 86 11302 1 . HIS 87 87 11302 1 . THR 88 88 11302 1 . GLY 89 89 11302 1 . ASP 90 90 11302 1 . SER 91 91 11302 1 . GLY 92 92 11302 1 . PRO 93 93 11302 1 . SER 94 94 11302 1 . SER 95 95 11302 1 . GLY 96 96 11302 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11302 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _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 . ZN . 11302 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11302 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11302 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 11302 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050815-12 . . . . . . 11302 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 11302 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 11302 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11302 ZN [Zn++] SMILES CACTVS 3.341 11302 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11302 ZN [Zn+2] SMILES ACDLabs 10.04 11302 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11302 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11302 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 11302 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11302 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11302 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11302 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.28mM C2H2 type zinc-binding domain U-15N, {13C;} 20mM d-Tris {HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM ZnCl2 + 1mM {IDA;} 10% D2O, 90% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 type zinc-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 11302 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11302 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11302 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11302 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11302 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11302 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11302 1 8 H2O . . . . . . solvent 90 . . % . . . . 11302 1 9 D2O . . . . . . solvent 10 . . % . . . . 11302 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11302 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11302 1 pH 7.0 0.05 pH 11302 1 pressure 1 0.001 atm 11302 1 temperature 296 0.1 K 11302 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11302 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11302 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11302 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11302 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11302 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11302 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11302 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11302 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11302 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9736 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11302 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11302 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11302 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11302 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11302 5 'structure solution' 11302 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11302 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11302 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11302 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11302 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11302 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11302 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11302 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11302 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11302 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11302 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11302 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11302 1 2 $NMRPipe . . 11302 1 3 $NMRVIEW . . 11302 1 4 $Kujira . . 11302 1 5 $CYANA . . 11302 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.487 0.030 . 1 . . . . 6 SER HA . 11302 1 2 . 1 1 6 6 SER CA C 13 58.140 0.300 . 1 . . . . 6 SER CA . 11302 1 3 . 1 1 7 7 GLY HA2 H 1 4.005 0.030 . 2 . . . . 7 GLY HA2 . 11302 1 4 . 1 1 7 7 GLY HA3 H 1 3.852 0.030 . 2 . . . . 7 GLY HA3 . 11302 1 5 . 1 1 7 7 GLY CA C 13 44.543 0.300 . 1 . . . . 7 GLY CA . 11302 1 6 . 1 1 8 8 PRO HA H 1 4.344 0.030 . 1 . . . . 8 PRO HA . 11302 1 7 . 1 1 8 8 PRO HB2 H 1 2.070 0.030 . 2 . . . . 8 PRO HB2 . 11302 1 8 . 1 1 8 8 PRO HB3 H 1 1.500 0.030 . 2 . . . . 8 PRO HB3 . 11302 1 9 . 1 1 8 8 PRO HD2 H 1 3.565 0.030 . 1 . . . . 8 PRO HD2 . 11302 1 10 . 1 1 8 8 PRO HD3 H 1 3.565 0.030 . 1 . . . . 8 PRO HD3 . 11302 1 11 . 1 1 8 8 PRO HG2 H 1 1.929 0.030 . 2 . . . . 8 PRO HG2 . 11302 1 12 . 1 1 8 8 PRO HG3 H 1 1.468 0.030 . 2 . . . . 8 PRO HG3 . 11302 1 13 . 1 1 8 8 PRO C C 13 176.368 0.300 . 1 . . . . 8 PRO C . 11302 1 14 . 1 1 8 8 PRO CA C 13 63.380 0.300 . 1 . . . . 8 PRO CA . 11302 1 15 . 1 1 8 8 PRO CB C 13 32.300 0.300 . 1 . . . . 8 PRO CB . 11302 1 16 . 1 1 8 8 PRO CD C 13 49.902 0.300 . 1 . . . . 8 PRO CD . 11302 1 17 . 1 1 8 8 PRO CG C 13 26.371 0.300 . 1 . . . . 8 PRO CG . 11302 1 18 . 1 1 9 9 HIS H H 1 7.831 0.030 . 1 . . . . 9 HIS H . 11302 1 19 . 1 1 9 9 HIS HA H 1 4.689 0.030 . 1 . . . . 9 HIS HA . 11302 1 20 . 1 1 9 9 HIS HB2 H 1 3.024 0.030 . 2 . . . . 9 HIS HB2 . 11302 1 21 . 1 1 9 9 HIS HB3 H 1 2.855 0.030 . 2 . . . . 9 HIS HB3 . 11302 1 22 . 1 1 9 9 HIS HD2 H 1 6.592 0.030 . 1 . . . . 9 HIS HD2 . 11302 1 23 . 1 1 9 9 HIS C C 13 173.850 0.300 . 1 . . . . 9 HIS C . 11302 1 24 . 1 1 9 9 HIS CA C 13 55.371 0.300 . 1 . . . . 9 HIS CA . 11302 1 25 . 1 1 9 9 HIS CB C 13 30.450 0.300 . 1 . . . . 9 HIS CB . 11302 1 26 . 1 1 9 9 HIS CD2 C 13 119.438 0.300 . 1 . . . . 9 HIS CD2 . 11302 1 27 . 1 1 9 9 HIS N N 15 119.906 0.300 . 1 . . . . 9 HIS N . 11302 1 28 . 1 1 10 10 LYS H H 1 8.551 0.030 . 1 . . . . 10 LYS H . 11302 1 29 . 1 1 10 10 LYS HA H 1 4.910 0.030 . 1 . . . . 10 LYS HA . 11302 1 30 . 1 1 10 10 LYS HB2 H 1 1.678 0.030 . 2 . . . . 10 LYS HB2 . 11302 1 31 . 1 1 10 10 LYS HB3 H 1 1.580 0.030 . 2 . . . . 10 LYS HB3 . 11302 1 32 . 1 1 10 10 LYS HD2 H 1 1.551 0.030 . 1 . . . . 10 LYS HD2 . 11302 1 33 . 1 1 10 10 LYS HD3 H 1 1.551 0.030 . 1 . . . . 10 LYS HD3 . 11302 1 34 . 1 1 10 10 LYS HE2 H 1 2.907 0.030 . 1 . . . . 10 LYS HE2 . 11302 1 35 . 1 1 10 10 LYS HE3 H 1 2.907 0.030 . 1 . . . . 10 LYS HE3 . 11302 1 36 . 1 1 10 10 LYS HG2 H 1 1.221 0.030 . 2 . . . . 10 LYS HG2 . 11302 1 37 . 1 1 10 10 LYS HG3 H 1 1.061 0.030 . 2 . . . . 10 LYS HG3 . 11302 1 38 . 1 1 10 10 LYS C C 13 175.439 0.300 . 1 . . . . 10 LYS C . 11302 1 39 . 1 1 10 10 LYS CA C 13 55.295 0.300 . 1 . . . . 10 LYS CA . 11302 1 40 . 1 1 10 10 LYS CB C 13 35.637 0.300 . 1 . . . . 10 LYS CB . 11302 1 41 . 1 1 10 10 LYS CD C 13 29.568 0.300 . 1 . . . . 10 LYS CD . 11302 1 42 . 1 1 10 10 LYS CE C 13 41.984 0.300 . 1 . . . . 10 LYS CE . 11302 1 43 . 1 1 10 10 LYS CG C 13 24.338 0.300 . 1 . . . . 10 LYS CG . 11302 1 44 . 1 1 10 10 LYS N N 15 126.944 0.300 . 1 . . . . 10 LYS N . 11302 1 45 . 1 1 11 11 CYS H H 1 9.290 0.030 . 1 . . . . 11 CYS H . 11302 1 46 . 1 1 11 11 CYS HA H 1 4.546 0.030 . 1 . . . . 11 CYS HA . 11302 1 47 . 1 1 11 11 CYS HB2 H 1 3.362 0.030 . 2 . . . . 11 CYS HB2 . 11302 1 48 . 1 1 11 11 CYS HB3 H 1 2.863 0.030 . 2 . . . . 11 CYS HB3 . 11302 1 49 . 1 1 11 11 CYS C C 13 177.692 0.300 . 1 . . . . 11 CYS C . 11302 1 50 . 1 1 11 11 CYS CA C 13 59.898 0.300 . 1 . . . . 11 CYS CA . 11302 1 51 . 1 1 11 11 CYS CB C 13 29.586 0.300 . 1 . . . . 11 CYS CB . 11302 1 52 . 1 1 11 11 CYS N N 15 128.322 0.300 . 1 . . . . 11 CYS N . 11302 1 53 . 1 1 12 12 GLU H H 1 9.575 0.030 . 1 . . . . 12 GLU H . 11302 1 54 . 1 1 12 12 GLU HA H 1 4.169 0.030 . 1 . . . . 12 GLU HA . 11302 1 55 . 1 1 12 12 GLU HB2 H 1 2.197 0.030 . 2 . . . . 12 GLU HB2 . 11302 1 56 . 1 1 12 12 GLU HB3 H 1 2.067 0.030 . 2 . . . . 12 GLU HB3 . 11302 1 57 . 1 1 12 12 GLU HG2 H 1 2.373 0.030 . 1 . . . . 12 GLU HG2 . 11302 1 58 . 1 1 12 12 GLU HG3 H 1 2.373 0.030 . 1 . . . . 12 GLU HG3 . 11302 1 59 . 1 1 12 12 GLU C C 13 176.233 0.300 . 1 . . . . 12 GLU C . 11302 1 60 . 1 1 12 12 GLU CA C 13 58.330 0.300 . 1 . . . . 12 GLU CA . 11302 1 61 . 1 1 12 12 GLU CB C 13 29.801 0.300 . 1 . . . . 12 GLU CB . 11302 1 62 . 1 1 12 12 GLU CG C 13 36.202 0.300 . 1 . . . . 12 GLU CG . 11302 1 63 . 1 1 12 12 GLU N N 15 132.102 0.300 . 1 . . . . 12 GLU N . 11302 1 64 . 1 1 13 13 VAL H H 1 8.981 0.030 . 1 . . . . 13 VAL H . 11302 1 65 . 1 1 13 13 VAL HA H 1 3.766 0.030 . 1 . . . . 13 VAL HA . 11302 1 66 . 1 1 13 13 VAL HB H 1 1.142 0.030 . 1 . . . . 13 VAL HB . 11302 1 67 . 1 1 13 13 VAL HG11 H 1 0.734 0.030 . 1 . . . . 13 VAL HG1 . 11302 1 68 . 1 1 13 13 VAL HG12 H 1 0.734 0.030 . 1 . . . . 13 VAL HG1 . 11302 1 69 . 1 1 13 13 VAL HG13 H 1 0.734 0.030 . 1 . . . . 13 VAL HG1 . 11302 1 70 . 1 1 13 13 VAL HG21 H 1 0.270 0.030 . 1 . . . . 13 VAL HG2 . 11302 1 71 . 1 1 13 13 VAL HG22 H 1 0.270 0.030 . 1 . . . . 13 VAL HG2 . 11302 1 72 . 1 1 13 13 VAL HG23 H 1 0.270 0.030 . 1 . . . . 13 VAL HG2 . 11302 1 73 . 1 1 13 13 VAL C C 13 177.157 0.300 . 1 . . . . 13 VAL C . 11302 1 74 . 1 1 13 13 VAL CA C 13 65.073 0.300 . 1 . . . . 13 VAL CA . 11302 1 75 . 1 1 13 13 VAL CB C 13 32.631 0.300 . 1 . . . . 13 VAL CB . 11302 1 76 . 1 1 13 13 VAL CG1 C 13 21.401 0.300 . 2 . . . . 13 VAL CG1 . 11302 1 77 . 1 1 13 13 VAL CG2 C 13 20.301 0.300 . 2 . . . . 13 VAL CG2 . 11302 1 78 . 1 1 13 13 VAL N N 15 122.034 0.300 . 1 . . . . 13 VAL N . 11302 1 79 . 1 1 14 14 CYS H H 1 8.473 0.030 . 1 . . . . 14 CYS H . 11302 1 80 . 1 1 14 14 CYS HA H 1 5.156 0.030 . 1 . . . . 14 CYS HA . 11302 1 81 . 1 1 14 14 CYS HB2 H 1 3.471 0.030 . 2 . . . . 14 CYS HB2 . 11302 1 82 . 1 1 14 14 CYS HB3 H 1 2.799 0.030 . 2 . . . . 14 CYS HB3 . 11302 1 83 . 1 1 14 14 CYS C C 13 176.682 0.300 . 1 . . . . 14 CYS C . 11302 1 84 . 1 1 14 14 CYS CA C 13 58.297 0.300 . 1 . . . . 14 CYS CA . 11302 1 85 . 1 1 14 14 CYS CB C 13 32.765 0.300 . 1 . . . . 14 CYS CB . 11302 1 86 . 1 1 14 14 CYS N N 15 116.858 0.300 . 1 . . . . 14 CYS N . 11302 1 87 . 1 1 15 15 GLY H H 1 8.027 0.030 . 1 . . . . 15 GLY H . 11302 1 88 . 1 1 15 15 GLY HA2 H 1 4.233 0.030 . 2 . . . . 15 GLY HA2 . 11302 1 89 . 1 1 15 15 GLY HA3 H 1 3.744 0.030 . 2 . . . . 15 GLY HA3 . 11302 1 90 . 1 1 15 15 GLY C C 13 173.410 0.300 . 1 . . . . 15 GLY C . 11302 1 91 . 1 1 15 15 GLY CA C 13 46.280 0.300 . 1 . . . . 15 GLY CA . 11302 1 92 . 1 1 15 15 GLY N N 15 113.356 0.300 . 1 . . . . 15 GLY N . 11302 1 93 . 1 1 16 16 LYS H H 1 8.011 0.030 . 1 . . . . 16 LYS H . 11302 1 94 . 1 1 16 16 LYS HA H 1 3.994 0.030 . 1 . . . . 16 LYS HA . 11302 1 95 . 1 1 16 16 LYS HB2 H 1 1.471 0.030 . 2 . . . . 16 LYS HB2 . 11302 1 96 . 1 1 16 16 LYS HB3 H 1 1.234 0.030 . 2 . . . . 16 LYS HB3 . 11302 1 97 . 1 1 16 16 LYS HD2 H 1 1.534 0.030 . 2 . . . . 16 LYS HD2 . 11302 1 98 . 1 1 16 16 LYS HD3 H 1 1.446 0.030 . 2 . . . . 16 LYS HD3 . 11302 1 99 . 1 1 16 16 LYS HE2 H 1 2.889 0.030 . 2 . . . . 16 LYS HE2 . 11302 1 100 . 1 1 16 16 LYS HE3 H 1 2.962 0.030 . 2 . . . . 16 LYS HE3 . 11302 1 101 . 1 1 16 16 LYS HG2 H 1 1.435 0.030 . 2 . . . . 16 LYS HG2 . 11302 1 102 . 1 1 16 16 LYS HG3 H 1 1.056 0.030 . 2 . . . . 16 LYS HG3 . 11302 1 103 . 1 1 16 16 LYS C C 13 174.763 0.300 . 1 . . . . 16 LYS C . 11302 1 104 . 1 1 16 16 LYS CA C 13 58.242 0.300 . 1 . . . . 16 LYS CA . 11302 1 105 . 1 1 16 16 LYS CB C 13 33.739 0.300 . 1 . . . . 16 LYS CB . 11302 1 106 . 1 1 16 16 LYS CD C 13 29.401 0.300 . 1 . . . . 16 LYS CD . 11302 1 107 . 1 1 16 16 LYS CE C 13 42.133 0.300 . 1 . . . . 16 LYS CE . 11302 1 108 . 1 1 16 16 LYS CG C 13 26.233 0.300 . 1 . . . . 16 LYS CG . 11302 1 109 . 1 1 16 16 LYS N N 15 123.144 0.300 . 1 . . . . 16 LYS N . 11302 1 110 . 1 1 17 17 CYS H H 1 8.004 0.030 . 1 . . . . 17 CYS H . 11302 1 111 . 1 1 17 17 CYS HA H 1 5.147 0.030 . 1 . . . . 17 CYS HA . 11302 1 112 . 1 1 17 17 CYS HB2 H 1 2.611 0.030 . 1 . . . . 17 CYS HB2 . 11302 1 113 . 1 1 17 17 CYS HB3 H 1 2.611 0.030 . 1 . . . . 17 CYS HB3 . 11302 1 114 . 1 1 17 17 CYS C C 13 173.743 0.300 . 1 . . . . 17 CYS C . 11302 1 115 . 1 1 17 17 CYS CA C 13 58.091 0.300 . 1 . . . . 17 CYS CA . 11302 1 116 . 1 1 17 17 CYS CB C 13 30.465 0.300 . 1 . . . . 17 CYS CB . 11302 1 117 . 1 1 17 17 CYS N N 15 118.944 0.300 . 1 . . . . 17 CYS N . 11302 1 118 . 1 1 18 18 PHE H H 1 8.747 0.030 . 1 . . . . 18 PHE H . 11302 1 119 . 1 1 18 18 PHE HA H 1 4.710 0.030 . 1 . . . . 18 PHE HA . 11302 1 120 . 1 1 18 18 PHE HB2 H 1 3.275 0.030 . 2 . . . . 18 PHE HB2 . 11302 1 121 . 1 1 18 18 PHE HB3 H 1 2.677 0.030 . 2 . . . . 18 PHE HB3 . 11302 1 122 . 1 1 18 18 PHE HD1 H 1 7.223 0.030 . 1 . . . . 18 PHE HD1 . 11302 1 123 . 1 1 18 18 PHE HD2 H 1 7.223 0.030 . 1 . . . . 18 PHE HD2 . 11302 1 124 . 1 1 18 18 PHE HE1 H 1 6.794 0.030 . 1 . . . . 18 PHE HE1 . 11302 1 125 . 1 1 18 18 PHE HE2 H 1 6.794 0.030 . 1 . . . . 18 PHE HE2 . 11302 1 126 . 1 1 18 18 PHE HZ H 1 6.236 0.030 . 1 . . . . 18 PHE HZ . 11302 1 127 . 1 1 18 18 PHE C C 13 175.970 0.300 . 1 . . . . 18 PHE C . 11302 1 128 . 1 1 18 18 PHE CA C 13 57.197 0.300 . 1 . . . . 18 PHE CA . 11302 1 129 . 1 1 18 18 PHE CB C 13 43.745 0.300 . 1 . . . . 18 PHE CB . 11302 1 130 . 1 1 18 18 PHE CD1 C 13 132.335 0.300 . 1 . . . . 18 PHE CD1 . 11302 1 131 . 1 1 18 18 PHE CD2 C 13 132.335 0.300 . 1 . . . . 18 PHE CD2 . 11302 1 132 . 1 1 18 18 PHE CE1 C 13 130.685 0.300 . 1 . . . . 18 PHE CE1 . 11302 1 133 . 1 1 18 18 PHE CE2 C 13 130.685 0.300 . 1 . . . . 18 PHE CE2 . 11302 1 134 . 1 1 18 18 PHE CZ C 13 128.623 0.300 . 1 . . . . 18 PHE CZ . 11302 1 135 . 1 1 18 18 PHE N N 15 118.261 0.300 . 1 . . . . 18 PHE N . 11302 1 136 . 1 1 19 19 SER HA H 1 4.493 0.030 . 1 . . . . 19 SER HA . 11302 1 137 . 1 1 19 19 SER HB2 H 1 4.116 0.030 . 2 . . . . 19 SER HB2 . 11302 1 138 . 1 1 19 19 SER HB3 H 1 4.027 0.030 . 2 . . . . 19 SER HB3 . 11302 1 139 . 1 1 19 19 SER C C 13 174.555 0.300 . 1 . . . . 19 SER C . 11302 1 140 . 1 1 19 19 SER CA C 13 60.055 0.300 . 1 . . . . 19 SER CA . 11302 1 141 . 1 1 19 19 SER CB C 13 63.817 0.300 . 1 . . . . 19 SER CB . 11302 1 142 . 1 1 20 20 ARG H H 1 7.345 0.030 . 1 . . . . 20 ARG H . 11302 1 143 . 1 1 20 20 ARG HA H 1 4.776 0.030 . 1 . . . . 20 ARG HA . 11302 1 144 . 1 1 20 20 ARG HB2 H 1 2.232 0.030 . 2 . . . . 20 ARG HB2 . 11302 1 145 . 1 1 20 20 ARG HB3 H 1 1.638 0.030 . 2 . . . . 20 ARG HB3 . 11302 1 146 . 1 1 20 20 ARG HD2 H 1 3.351 0.030 . 2 . . . . 20 ARG HD2 . 11302 1 147 . 1 1 20 20 ARG HD3 H 1 3.249 0.030 . 2 . . . . 20 ARG HD3 . 11302 1 148 . 1 1 20 20 ARG HG2 H 1 1.750 0.030 . 1 . . . . 20 ARG HG2 . 11302 1 149 . 1 1 20 20 ARG HG3 H 1 1.750 0.030 . 1 . . . . 20 ARG HG3 . 11302 1 150 . 1 1 20 20 ARG C C 13 176.345 0.300 . 1 . . . . 20 ARG C . 11302 1 151 . 1 1 20 20 ARG CA C 13 54.446 0.300 . 1 . . . . 20 ARG CA . 11302 1 152 . 1 1 20 20 ARG CB C 13 35.261 0.300 . 1 . . . . 20 ARG CB . 11302 1 153 . 1 1 20 20 ARG CD C 13 43.665 0.300 . 1 . . . . 20 ARG CD . 11302 1 154 . 1 1 20 20 ARG CG C 13 27.068 0.300 . 1 . . . . 20 ARG CG . 11302 1 155 . 1 1 20 20 ARG N N 15 117.930 0.300 . 1 . . . . 20 ARG N . 11302 1 156 . 1 1 21 21 LYS HA H 1 3.268 0.030 . 1 . . . . 21 LYS HA . 11302 1 157 . 1 1 21 21 LYS HB2 H 1 1.599 0.030 . 2 . . . . 21 LYS HB2 . 11302 1 158 . 1 1 21 21 LYS HB3 H 1 1.393 0.030 . 2 . . . . 21 LYS HB3 . 11302 1 159 . 1 1 21 21 LYS HD2 H 1 1.596 0.030 . 1 . . . . 21 LYS HD2 . 11302 1 160 . 1 1 21 21 LYS HD3 H 1 1.596 0.030 . 1 . . . . 21 LYS HD3 . 11302 1 161 . 1 1 21 21 LYS HE2 H 1 2.943 0.030 . 1 . . . . 21 LYS HE2 . 11302 1 162 . 1 1 21 21 LYS HE3 H 1 2.943 0.030 . 1 . . . . 21 LYS HE3 . 11302 1 163 . 1 1 21 21 LYS HG2 H 1 1.136 0.030 . 1 . . . . 21 LYS HG2 . 11302 1 164 . 1 1 21 21 LYS HG3 H 1 1.136 0.030 . 1 . . . . 21 LYS HG3 . 11302 1 165 . 1 1 21 21 LYS CA C 13 59.708 0.300 . 1 . . . . 21 LYS CA . 11302 1 166 . 1 1 21 21 LYS CB C 13 32.247 0.300 . 1 . . . . 21 LYS CB . 11302 1 167 . 1 1 21 21 LYS CD C 13 29.217 0.300 . 1 . . . . 21 LYS CD . 11302 1 168 . 1 1 21 21 LYS CE C 13 42.038 0.300 . 1 . . . . 21 LYS CE . 11302 1 169 . 1 1 21 21 LYS CG C 13 25.192 0.300 . 1 . . . . 21 LYS CG . 11302 1 170 . 1 1 22 22 ASP HA H 1 4.198 0.030 . 1 . . . . 22 ASP HA . 11302 1 171 . 1 1 22 22 ASP HB2 H 1 2.695 0.030 . 2 . . . . 22 ASP HB2 . 11302 1 172 . 1 1 22 22 ASP HB3 H 1 2.624 0.030 . 2 . . . . 22 ASP HB3 . 11302 1 173 . 1 1 22 22 ASP C C 13 178.390 0.300 . 1 . . . . 22 ASP C . 11302 1 174 . 1 1 22 22 ASP CA C 13 56.727 0.300 . 1 . . . . 22 ASP CA . 11302 1 175 . 1 1 22 22 ASP CB C 13 39.002 0.300 . 1 . . . . 22 ASP CB . 11302 1 176 . 1 1 23 23 LYS H H 1 7.043 0.030 . 1 . . . . 23 LYS H . 11302 1 177 . 1 1 23 23 LYS HA H 1 4.056 0.030 . 1 . . . . 23 LYS HA . 11302 1 178 . 1 1 23 23 LYS HB2 H 1 2.003 0.030 . 2 . . . . 23 LYS HB2 . 11302 1 179 . 1 1 23 23 LYS HB3 H 1 1.888 0.030 . 2 . . . . 23 LYS HB3 . 11302 1 180 . 1 1 23 23 LYS HD2 H 1 1.827 0.030 . 2 . . . . 23 LYS HD2 . 11302 1 181 . 1 1 23 23 LYS HD3 H 1 1.768 0.030 . 2 . . . . 23 LYS HD3 . 11302 1 182 . 1 1 23 23 LYS HE2 H 1 3.057 0.030 . 2 . . . . 23 LYS HE2 . 11302 1 183 . 1 1 23 23 LYS HE3 H 1 3.014 0.030 . 2 . . . . 23 LYS HE3 . 11302 1 184 . 1 1 23 23 LYS HG2 H 1 1.639 0.030 . 2 . . . . 23 LYS HG2 . 11302 1 185 . 1 1 23 23 LYS HG3 H 1 1.478 0.030 . 2 . . . . 23 LYS HG3 . 11302 1 186 . 1 1 23 23 LYS C C 13 179.008 0.300 . 1 . . . . 23 LYS C . 11302 1 187 . 1 1 23 23 LYS CA C 13 57.773 0.300 . 1 . . . . 23 LYS CA . 11302 1 188 . 1 1 23 23 LYS CB C 13 32.319 0.300 . 1 . . . . 23 LYS CB . 11302 1 189 . 1 1 23 23 LYS CD C 13 28.795 0.300 . 1 . . . . 23 LYS CD . 11302 1 190 . 1 1 23 23 LYS CE C 13 42.133 0.300 . 1 . . . . 23 LYS CE . 11302 1 191 . 1 1 23 23 LYS CG C 13 25.326 0.300 . 1 . . . . 23 LYS CG . 11302 1 192 . 1 1 23 23 LYS N N 15 120.115 0.300 . 1 . . . . 23 LYS N . 11302 1 193 . 1 1 24 24 LEU H H 1 6.968 0.030 . 1 . . . . 24 LEU H . 11302 1 194 . 1 1 24 24 LEU HA H 1 3.193 0.030 . 1 . . . . 24 LEU HA . 11302 1 195 . 1 1 24 24 LEU HB2 H 1 1.966 0.030 . 2 . . . . 24 LEU HB2 . 11302 1 196 . 1 1 24 24 LEU HB3 H 1 1.227 0.030 . 2 . . . . 24 LEU HB3 . 11302 1 197 . 1 1 24 24 LEU HD11 H 1 1.018 0.030 . 1 . . . . 24 LEU HD1 . 11302 1 198 . 1 1 24 24 LEU HD12 H 1 1.018 0.030 . 1 . . . . 24 LEU HD1 . 11302 1 199 . 1 1 24 24 LEU HD13 H 1 1.018 0.030 . 1 . . . . 24 LEU HD1 . 11302 1 200 . 1 1 24 24 LEU HD21 H 1 0.973 0.030 . 1 . . . . 24 LEU HD2 . 11302 1 201 . 1 1 24 24 LEU HD22 H 1 0.973 0.030 . 1 . . . . 24 LEU HD2 . 11302 1 202 . 1 1 24 24 LEU HD23 H 1 0.973 0.030 . 1 . . . . 24 LEU HD2 . 11302 1 203 . 1 1 24 24 LEU HG H 1 1.540 0.030 . 1 . . . . 24 LEU HG . 11302 1 204 . 1 1 24 24 LEU C C 13 177.345 0.300 . 1 . . . . 24 LEU C . 11302 1 205 . 1 1 24 24 LEU CA C 13 57.614 0.300 . 1 . . . . 24 LEU CA . 11302 1 206 . 1 1 24 24 LEU CB C 13 40.337 0.300 . 1 . . . . 24 LEU CB . 11302 1 207 . 1 1 24 24 LEU CD1 C 13 22.777 0.300 . 2 . . . . 24 LEU CD1 . 11302 1 208 . 1 1 24 24 LEU CD2 C 13 26.655 0.300 . 2 . . . . 24 LEU CD2 . 11302 1 209 . 1 1 24 24 LEU CG C 13 27.569 0.300 . 1 . . . . 24 LEU CG . 11302 1 210 . 1 1 24 24 LEU N N 15 121.799 0.300 . 1 . . . . 24 LEU N . 11302 1 211 . 1 1 25 25 LYS H H 1 7.989 0.030 . 1 . . . . 25 LYS H . 11302 1 212 . 1 1 25 25 LYS HA H 1 3.879 0.030 . 1 . . . . 25 LYS HA . 11302 1 213 . 1 1 25 25 LYS HB2 H 1 1.865 0.030 . 1 . . . . 25 LYS HB2 . 11302 1 214 . 1 1 25 25 LYS HB3 H 1 1.865 0.030 . 1 . . . . 25 LYS HB3 . 11302 1 215 . 1 1 25 25 LYS HD2 H 1 1.649 0.030 . 1 . . . . 25 LYS HD2 . 11302 1 216 . 1 1 25 25 LYS HD3 H 1 1.649 0.030 . 1 . . . . 25 LYS HD3 . 11302 1 217 . 1 1 25 25 LYS HE2 H 1 2.932 0.030 . 1 . . . . 25 LYS HE2 . 11302 1 218 . 1 1 25 25 LYS HE3 H 1 2.932 0.030 . 1 . . . . 25 LYS HE3 . 11302 1 219 . 1 1 25 25 LYS HG2 H 1 1.481 0.030 . 2 . . . . 25 LYS HG2 . 11302 1 220 . 1 1 25 25 LYS HG3 H 1 1.335 0.030 . 2 . . . . 25 LYS HG3 . 11302 1 221 . 1 1 25 25 LYS C C 13 179.808 0.300 . 1 . . . . 25 LYS C . 11302 1 222 . 1 1 25 25 LYS CA C 13 60.046 0.300 . 1 . . . . 25 LYS CA . 11302 1 223 . 1 1 25 25 LYS CB C 13 31.725 0.300 . 1 . . . . 25 LYS CB . 11302 1 224 . 1 1 25 25 LYS CD C 13 29.199 0.300 . 1 . . . . 25 LYS CD . 11302 1 225 . 1 1 25 25 LYS CE C 13 42.051 0.300 . 1 . . . . 25 LYS CE . 11302 1 226 . 1 1 25 25 LYS CG C 13 24.951 0.300 . 1 . . . . 25 LYS CG . 11302 1 227 . 1 1 25 25 LYS N N 15 119.257 0.300 . 1 . . . . 25 LYS N . 11302 1 228 . 1 1 26 26 THR H H 1 7.863 0.030 . 1 . . . . 26 THR H . 11302 1 229 . 1 1 26 26 THR HA H 1 3.823 0.030 . 1 . . . . 26 THR HA . 11302 1 230 . 1 1 26 26 THR HB H 1 4.043 0.030 . 1 . . . . 26 THR HB . 11302 1 231 . 1 1 26 26 THR HG21 H 1 1.212 0.030 . 1 . . . . 26 THR HG2 . 11302 1 232 . 1 1 26 26 THR HG22 H 1 1.212 0.030 . 1 . . . . 26 THR HG2 . 11302 1 233 . 1 1 26 26 THR HG23 H 1 1.212 0.030 . 1 . . . . 26 THR HG2 . 11302 1 234 . 1 1 26 26 THR C C 13 176.881 0.300 . 1 . . . . 26 THR C . 11302 1 235 . 1 1 26 26 THR CA C 13 66.321 0.300 . 1 . . . . 26 THR CA . 11302 1 236 . 1 1 26 26 THR CB C 13 68.629 0.300 . 1 . . . . 26 THR CB . 11302 1 237 . 1 1 26 26 THR CG2 C 13 22.164 0.300 . 1 . . . . 26 THR CG2 . 11302 1 238 . 1 1 26 26 THR N N 15 115.147 0.300 . 1 . . . . 26 THR N . 11302 1 239 . 1 1 27 27 HIS H H 1 7.660 0.030 . 1 . . . . 27 HIS H . 11302 1 240 . 1 1 27 27 HIS HA H 1 4.210 0.030 . 1 . . . . 27 HIS HA . 11302 1 241 . 1 1 27 27 HIS HB2 H 1 3.225 0.030 . 2 . . . . 27 HIS HB2 . 11302 1 242 . 1 1 27 27 HIS HB3 H 1 2.793 0.030 . 2 . . . . 27 HIS HB3 . 11302 1 243 . 1 1 27 27 HIS HD2 H 1 7.107 0.030 . 1 . . . . 27 HIS HD2 . 11302 1 244 . 1 1 27 27 HIS HE1 H 1 7.993 0.030 . 1 . . . . 27 HIS HE1 . 11302 1 245 . 1 1 27 27 HIS C C 13 176.542 0.300 . 1 . . . . 27 HIS C . 11302 1 246 . 1 1 27 27 HIS CA C 13 59.289 0.300 . 1 . . . . 27 HIS CA . 11302 1 247 . 1 1 27 27 HIS CB C 13 28.133 0.300 . 1 . . . . 27 HIS CB . 11302 1 248 . 1 1 27 27 HIS CD2 C 13 127.859 0.300 . 1 . . . . 27 HIS CD2 . 11302 1 249 . 1 1 27 27 HIS CE1 C 13 139.573 0.300 . 1 . . . . 27 HIS CE1 . 11302 1 250 . 1 1 27 27 HIS N N 15 122.470 0.300 . 1 . . . . 27 HIS N . 11302 1 251 . 1 1 28 28 MET H H 1 8.141 0.030 . 1 . . . . 28 MET H . 11302 1 252 . 1 1 28 28 MET HA H 1 4.085 0.030 . 1 . . . . 28 MET HA . 11302 1 253 . 1 1 28 28 MET HB2 H 1 2.248 0.030 . 1 . . . . 28 MET HB2 . 11302 1 254 . 1 1 28 28 MET HB3 H 1 2.248 0.030 . 1 . . . . 28 MET HB3 . 11302 1 255 . 1 1 28 28 MET HE1 H 1 2.263 0.030 . 1 . . . . 28 MET HE . 11302 1 256 . 1 1 28 28 MET HE2 H 1 2.263 0.030 . 1 . . . . 28 MET HE . 11302 1 257 . 1 1 28 28 MET HE3 H 1 2.263 0.030 . 1 . . . . 28 MET HE . 11302 1 258 . 1 1 28 28 MET HG2 H 1 3.043 0.030 . 2 . . . . 28 MET HG2 . 11302 1 259 . 1 1 28 28 MET HG3 H 1 2.949 0.030 . 2 . . . . 28 MET HG3 . 11302 1 260 . 1 1 28 28 MET C C 13 178.270 0.300 . 1 . . . . 28 MET C . 11302 1 261 . 1 1 28 28 MET CA C 13 57.276 0.300 . 1 . . . . 28 MET CA . 11302 1 262 . 1 1 28 28 MET CB C 13 30.242 0.300 . 1 . . . . 28 MET CB . 11302 1 263 . 1 1 28 28 MET CE C 13 15.940 0.300 . 1 . . . . 28 MET CE . 11302 1 264 . 1 1 28 28 MET CG C 13 31.639 0.300 . 1 . . . . 28 MET CG . 11302 1 265 . 1 1 28 28 MET N N 15 115.774 0.300 . 1 . . . . 28 MET N . 11302 1 266 . 1 1 29 29 ARG H H 1 7.240 0.030 . 1 . . . . 29 ARG H . 11302 1 267 . 1 1 29 29 ARG HA H 1 4.110 0.030 . 1 . . . . 29 ARG HA . 11302 1 268 . 1 1 29 29 ARG HB2 H 1 1.914 0.030 . 2 . . . . 29 ARG HB2 . 11302 1 269 . 1 1 29 29 ARG HB3 H 1 1.845 0.030 . 2 . . . . 29 ARG HB3 . 11302 1 270 . 1 1 29 29 ARG HD2 H 1 3.230 0.030 . 1 . . . . 29 ARG HD2 . 11302 1 271 . 1 1 29 29 ARG HD3 H 1 3.230 0.030 . 1 . . . . 29 ARG HD3 . 11302 1 272 . 1 1 29 29 ARG HG2 H 1 1.832 0.030 . 2 . . . . 29 ARG HG2 . 11302 1 273 . 1 1 29 29 ARG HG3 H 1 1.700 0.030 . 2 . . . . 29 ARG HG3 . 11302 1 274 . 1 1 29 29 ARG C C 13 178.072 0.300 . 1 . . . . 29 ARG C . 11302 1 275 . 1 1 29 29 ARG CA C 13 58.504 0.300 . 1 . . . . 29 ARG CA . 11302 1 276 . 1 1 29 29 ARG CB C 13 29.845 0.300 . 1 . . . . 29 ARG CB . 11302 1 277 . 1 1 29 29 ARG CD C 13 43.534 0.300 . 1 . . . . 29 ARG CD . 11302 1 278 . 1 1 29 29 ARG CG C 13 27.543 0.300 . 1 . . . . 29 ARG CG . 11302 1 279 . 1 1 29 29 ARG N N 15 118.459 0.300 . 1 . . . . 29 ARG N . 11302 1 280 . 1 1 30 30 CYS H H 1 7.973 0.030 . 1 . . . . 30 CYS H . 11302 1 281 . 1 1 30 30 CYS HA H 1 4.351 0.030 . 1 . . . . 30 CYS HA . 11302 1 282 . 1 1 30 30 CYS HB2 H 1 2.775 0.030 . 2 . . . . 30 CYS HB2 . 11302 1 283 . 1 1 30 30 CYS HB3 H 1 2.545 0.030 . 2 . . . . 30 CYS HB3 . 11302 1 284 . 1 1 30 30 CYS C C 13 175.165 0.300 . 1 . . . . 30 CYS C . 11302 1 285 . 1 1 30 30 CYS CA C 13 60.215 0.300 . 1 . . . . 30 CYS CA . 11302 1 286 . 1 1 30 30 CYS CB C 13 26.613 0.300 . 1 . . . . 30 CYS CB . 11302 1 287 . 1 1 30 30 CYS N N 15 115.355 0.300 . 1 . . . . 30 CYS N . 11302 1 288 . 1 1 31 31 HIS H H 1 7.486 0.030 . 1 . . . . 31 HIS H . 11302 1 289 . 1 1 31 31 HIS HA H 1 5.045 0.030 . 1 . . . . 31 HIS HA . 11302 1 290 . 1 1 31 31 HIS HB2 H 1 3.335 0.030 . 2 . . . . 31 HIS HB2 . 11302 1 291 . 1 1 31 31 HIS HB3 H 1 3.185 0.030 . 2 . . . . 31 HIS HB3 . 11302 1 292 . 1 1 31 31 HIS HD2 H 1 6.868 0.030 . 1 . . . . 31 HIS HD2 . 11302 1 293 . 1 1 31 31 HIS HE1 H 1 8.041 0.030 . 1 . . . . 31 HIS HE1 . 11302 1 294 . 1 1 31 31 HIS C C 13 174.980 0.300 . 1 . . . . 31 HIS C . 11302 1 295 . 1 1 31 31 HIS CA C 13 54.255 0.300 . 1 . . . . 31 HIS CA . 11302 1 296 . 1 1 31 31 HIS CB C 13 28.862 0.300 . 1 . . . . 31 HIS CB . 11302 1 297 . 1 1 31 31 HIS CD2 C 13 127.721 0.300 . 1 . . . . 31 HIS CD2 . 11302 1 298 . 1 1 31 31 HIS CE1 C 13 140.122 0.300 . 1 . . . . 31 HIS CE1 . 11302 1 299 . 1 1 31 31 HIS N N 15 119.217 0.300 . 1 . . . . 31 HIS N . 11302 1 300 . 1 1 32 32 THR H H 1 7.754 0.030 . 1 . . . . 32 THR H . 11302 1 301 . 1 1 32 32 THR HA H 1 4.332 0.030 . 1 . . . . 32 THR HA . 11302 1 302 . 1 1 32 32 THR HB H 1 4.269 0.030 . 1 . . . . 32 THR HB . 11302 1 303 . 1 1 32 32 THR HG21 H 1 1.226 0.030 . 1 . . . . 32 THR HG2 . 11302 1 304 . 1 1 32 32 THR HG22 H 1 1.226 0.030 . 1 . . . . 32 THR HG2 . 11302 1 305 . 1 1 32 32 THR HG23 H 1 1.226 0.030 . 1 . . . . 32 THR HG2 . 11302 1 306 . 1 1 32 32 THR CA C 13 62.460 0.300 . 1 . . . . 32 THR CA . 11302 1 307 . 1 1 32 32 THR CB C 13 69.814 0.300 . 1 . . . . 32 THR CB . 11302 1 308 . 1 1 32 32 THR CG2 C 13 21.444 0.300 . 1 . . . . 32 THR CG2 . 11302 1 309 . 1 1 32 32 THR N N 15 113.097 0.300 . 1 . . . . 32 THR N . 11302 1 310 . 1 1 33 33 GLY HA2 H 1 3.963 0.030 . 1 . . . . 33 GLY HA2 . 11302 1 311 . 1 1 33 33 GLY HA3 H 1 3.963 0.030 . 1 . . . . 33 GLY HA3 . 11302 1 312 . 1 1 33 33 GLY C C 13 173.964 0.300 . 1 . . . . 33 GLY C . 11302 1 313 . 1 1 33 33 GLY CA C 13 45.321 0.300 . 1 . . . . 33 GLY CA . 11302 1 314 . 1 1 34 34 VAL H H 1 7.877 0.030 . 1 . . . . 34 VAL H . 11302 1 315 . 1 1 34 34 VAL HA H 1 4.019 0.030 . 1 . . . . 34 VAL HA . 11302 1 316 . 1 1 34 34 VAL HB H 1 2.030 0.030 . 1 . . . . 34 VAL HB . 11302 1 317 . 1 1 34 34 VAL HG11 H 1 0.896 0.030 . 1 . . . . 34 VAL HG1 . 11302 1 318 . 1 1 34 34 VAL HG12 H 1 0.896 0.030 . 1 . . . . 34 VAL HG1 . 11302 1 319 . 1 1 34 34 VAL HG13 H 1 0.896 0.030 . 1 . . . . 34 VAL HG1 . 11302 1 320 . 1 1 34 34 VAL HG21 H 1 0.873 0.030 . 1 . . . . 34 VAL HG2 . 11302 1 321 . 1 1 34 34 VAL HG22 H 1 0.873 0.030 . 1 . . . . 34 VAL HG2 . 11302 1 322 . 1 1 34 34 VAL HG23 H 1 0.873 0.030 . 1 . . . . 34 VAL HG2 . 11302 1 323 . 1 1 34 34 VAL C C 13 176.004 0.300 . 1 . . . . 34 VAL C . 11302 1 324 . 1 1 34 34 VAL CA C 13 62.558 0.300 . 1 . . . . 34 VAL CA . 11302 1 325 . 1 1 34 34 VAL CB C 13 32.425 0.300 . 1 . . . . 34 VAL CB . 11302 1 326 . 1 1 34 34 VAL CG1 C 13 20.581 0.300 . 2 . . . . 34 VAL CG1 . 11302 1 327 . 1 1 34 34 VAL CG2 C 13 21.182 0.300 . 2 . . . . 34 VAL CG2 . 11302 1 328 . 1 1 34 34 VAL N N 15 118.977 0.300 . 1 . . . . 34 VAL N . 11302 1 329 . 1 1 35 35 LYS H H 1 8.367 0.030 . 1 . . . . 35 LYS H . 11302 1 330 . 1 1 35 35 LYS HA H 1 4.462 0.030 . 1 . . . . 35 LYS HA . 11302 1 331 . 1 1 35 35 LYS HB2 H 1 1.542 0.030 . 2 . . . . 35 LYS HB2 . 11302 1 332 . 1 1 35 35 LYS HB3 H 1 1.334 0.030 . 2 . . . . 35 LYS HB3 . 11302 1 333 . 1 1 35 35 LYS HD2 H 1 1.520 0.030 . 2 . . . . 35 LYS HD2 . 11302 1 334 . 1 1 35 35 LYS HD3 H 1 1.458 0.030 . 2 . . . . 35 LYS HD3 . 11302 1 335 . 1 1 35 35 LYS HE2 H 1 2.895 0.030 . 1 . . . . 35 LYS HE2 . 11302 1 336 . 1 1 35 35 LYS HE3 H 1 2.895 0.030 . 1 . . . . 35 LYS HE3 . 11302 1 337 . 1 1 35 35 LYS HG2 H 1 1.323 0.030 . 2 . . . . 35 LYS HG2 . 11302 1 338 . 1 1 35 35 LYS HG3 H 1 1.113 0.030 . 2 . . . . 35 LYS HG3 . 11302 1 339 . 1 1 35 35 LYS C C 13 173.958 0.300 . 1 . . . . 35 LYS C . 11302 1 340 . 1 1 35 35 LYS CA C 13 53.726 0.300 . 1 . . . . 35 LYS CA . 11302 1 341 . 1 1 35 35 LYS CB C 13 33.034 0.300 . 1 . . . . 35 LYS CB . 11302 1 342 . 1 1 35 35 LYS CD C 13 29.437 0.300 . 1 . . . . 35 LYS CD . 11302 1 343 . 1 1 35 35 LYS CE C 13 42.313 0.300 . 1 . . . . 35 LYS CE . 11302 1 344 . 1 1 35 35 LYS CG C 13 24.979 0.300 . 1 . . . . 35 LYS CG . 11302 1 345 . 1 1 35 35 LYS N N 15 125.030 0.300 . 1 . . . . 35 LYS N . 11302 1 346 . 1 1 36 36 PRO HA H 1 4.239 0.030 . 1 . . . . 36 PRO HA . 11302 1 347 . 1 1 36 36 PRO HB2 H 1 1.989 0.030 . 2 . . . . 36 PRO HB2 . 11302 1 348 . 1 1 36 36 PRO HB3 H 1 1.331 0.030 . 2 . . . . 36 PRO HB3 . 11302 1 349 . 1 1 36 36 PRO HD2 H 1 3.679 0.030 . 2 . . . . 36 PRO HD2 . 11302 1 350 . 1 1 36 36 PRO HD3 H 1 3.649 0.030 . 2 . . . . 36 PRO HD3 . 11302 1 351 . 1 1 36 36 PRO HG2 H 1 1.826 0.030 . 2 . . . . 36 PRO HG2 . 11302 1 352 . 1 1 36 36 PRO HG3 H 1 1.681 0.030 . 2 . . . . 36 PRO HG3 . 11302 1 353 . 1 1 36 36 PRO CA C 13 63.516 0.300 . 1 . . . . 36 PRO CA . 11302 1 354 . 1 1 36 36 PRO CB C 13 32.229 0.300 . 1 . . . . 36 PRO CB . 11302 1 355 . 1 1 36 36 PRO CD C 13 50.349 0.300 . 1 . . . . 36 PRO CD . 11302 1 356 . 1 1 36 36 PRO CG C 13 26.672 0.300 . 1 . . . . 36 PRO CG . 11302 1 357 . 1 1 37 37 TYR H H 1 7.944 0.030 . 1 . . . . 37 TYR H . 11302 1 358 . 1 1 37 37 TYR HA H 1 4.439 0.030 . 1 . . . . 37 TYR HA . 11302 1 359 . 1 1 37 37 TYR HB2 H 1 2.791 0.030 . 2 . . . . 37 TYR HB2 . 11302 1 360 . 1 1 37 37 TYR HB3 H 1 2.729 0.030 . 2 . . . . 37 TYR HB3 . 11302 1 361 . 1 1 37 37 TYR HD1 H 1 6.917 0.030 . 1 . . . . 37 TYR HD1 . 11302 1 362 . 1 1 37 37 TYR HD2 H 1 6.917 0.030 . 1 . . . . 37 TYR HD2 . 11302 1 363 . 1 1 37 37 TYR HE1 H 1 6.826 0.030 . 1 . . . . 37 TYR HE1 . 11302 1 364 . 1 1 37 37 TYR HE2 H 1 6.826 0.030 . 1 . . . . 37 TYR HE2 . 11302 1 365 . 1 1 37 37 TYR CA C 13 57.614 0.300 . 1 . . . . 37 TYR CA . 11302 1 366 . 1 1 37 37 TYR CB C 13 37.388 0.300 . 1 . . . . 37 TYR CB . 11302 1 367 . 1 1 37 37 TYR CD1 C 13 132.901 0.300 . 1 . . . . 37 TYR CD1 . 11302 1 368 . 1 1 37 37 TYR CD2 C 13 132.901 0.300 . 1 . . . . 37 TYR CD2 . 11302 1 369 . 1 1 37 37 TYR CE1 C 13 118.195 0.300 . 1 . . . . 37 TYR CE1 . 11302 1 370 . 1 1 37 37 TYR CE2 C 13 118.195 0.300 . 1 . . . . 37 TYR CE2 . 11302 1 371 . 1 1 37 37 TYR N N 15 118.932 0.300 . 1 . . . . 37 TYR N . 11302 1 372 . 1 1 38 38 LYS H H 1 8.044 0.030 . 1 . . . . 38 LYS H . 11302 1 373 . 1 1 38 38 LYS HA H 1 4.742 0.030 . 1 . . . . 38 LYS HA . 11302 1 374 . 1 1 38 38 LYS HB2 H 1 1.874 0.030 . 2 . . . . 38 LYS HB2 . 11302 1 375 . 1 1 38 38 LYS HB3 H 1 1.604 0.030 . 2 . . . . 38 LYS HB3 . 11302 1 376 . 1 1 38 38 LYS HD2 H 1 1.648 0.030 . 2 . . . . 38 LYS HD2 . 11302 1 377 . 1 1 38 38 LYS HD3 H 1 1.584 0.030 . 2 . . . . 38 LYS HD3 . 11302 1 378 . 1 1 38 38 LYS HE2 H 1 2.925 0.030 . 1 . . . . 38 LYS HE2 . 11302 1 379 . 1 1 38 38 LYS HE3 H 1 2.925 0.030 . 1 . . . . 38 LYS HE3 . 11302 1 380 . 1 1 38 38 LYS HG2 H 1 1.342 0.030 . 1 . . . . 38 LYS HG2 . 11302 1 381 . 1 1 38 38 LYS HG3 H 1 1.342 0.030 . 1 . . . . 38 LYS HG3 . 11302 1 382 . 1 1 38 38 LYS CA C 13 55.233 0.300 . 1 . . . . 38 LYS CA . 11302 1 383 . 1 1 38 38 LYS CB C 13 34.486 0.300 . 1 . . . . 38 LYS CB . 11302 1 384 . 1 1 38 38 LYS CD C 13 28.913 0.300 . 1 . . . . 38 LYS CD . 11302 1 385 . 1 1 38 38 LYS CE C 13 42.228 0.300 . 1 . . . . 38 LYS CE . 11302 1 386 . 1 1 38 38 LYS CG C 13 24.715 0.300 . 1 . . . . 38 LYS CG . 11302 1 387 . 1 1 38 38 LYS N N 15 123.358 0.300 . 1 . . . . 38 LYS N . 11302 1 388 . 1 1 39 39 CYS H H 1 8.786 0.030 . 1 . . . . 39 CYS H . 11302 1 389 . 1 1 39 39 CYS HA H 1 4.368 0.030 . 1 . . . . 39 CYS HA . 11302 1 390 . 1 1 39 39 CYS HB2 H 1 3.447 0.030 . 2 . . . . 39 CYS HB2 . 11302 1 391 . 1 1 39 39 CYS HB3 H 1 2.785 0.030 . 2 . . . . 39 CYS HB3 . 11302 1 392 . 1 1 39 39 CYS C C 13 175.793 0.300 . 1 . . . . 39 CYS C . 11302 1 393 . 1 1 39 39 CYS CA C 13 60.322 0.300 . 1 . . . . 39 CYS CA . 11302 1 394 . 1 1 39 39 CYS CB C 13 30.231 0.300 . 1 . . . . 39 CYS CB . 11302 1 395 . 1 1 39 39 CYS N N 15 127.307 0.300 . 1 . . . . 39 CYS N . 11302 1 396 . 1 1 40 40 LYS H H 1 8.694 0.030 . 1 . . . . 40 LYS H . 11302 1 397 . 1 1 40 40 LYS HA H 1 4.387 0.030 . 1 . . . . 40 LYS HA . 11302 1 398 . 1 1 40 40 LYS HB2 H 1 1.992 0.030 . 2 . . . . 40 LYS HB2 . 11302 1 399 . 1 1 40 40 LYS HB3 H 1 1.902 0.030 . 2 . . . . 40 LYS HB3 . 11302 1 400 . 1 1 40 40 LYS HD2 H 1 1.729 0.030 . 1 . . . . 40 LYS HD2 . 11302 1 401 . 1 1 40 40 LYS HD3 H 1 1.729 0.030 . 1 . . . . 40 LYS HD3 . 11302 1 402 . 1 1 40 40 LYS HE2 H 1 3.047 0.030 . 1 . . . . 40 LYS HE2 . 11302 1 403 . 1 1 40 40 LYS HE3 H 1 3.047 0.030 . 1 . . . . 40 LYS HE3 . 11302 1 404 . 1 1 40 40 LYS HG2 H 1 1.621 0.030 . 2 . . . . 40 LYS HG2 . 11302 1 405 . 1 1 40 40 LYS HG3 H 1 1.538 0.030 . 2 . . . . 40 LYS HG3 . 11302 1 406 . 1 1 40 40 LYS C C 13 177.282 0.300 . 1 . . . . 40 LYS C . 11302 1 407 . 1 1 40 40 LYS CA C 13 57.726 0.300 . 1 . . . . 40 LYS CA . 11302 1 408 . 1 1 40 40 LYS CB C 13 32.541 0.300 . 1 . . . . 40 LYS CB . 11302 1 409 . 1 1 40 40 LYS CD C 13 28.952 0.300 . 1 . . . . 40 LYS CD . 11302 1 410 . 1 1 40 40 LYS CE C 13 42.216 0.300 . 1 . . . . 40 LYS CE . 11302 1 411 . 1 1 40 40 LYS CG C 13 25.104 0.300 . 1 . . . . 40 LYS CG . 11302 1 412 . 1 1 40 40 LYS N N 15 126.629 0.300 . 1 . . . . 40 LYS N . 11302 1 413 . 1 1 41 41 THR H H 1 9.428 0.030 . 1 . . . . 41 THR H . 11302 1 414 . 1 1 41 41 THR HA H 1 4.129 0.030 . 1 . . . . 41 THR HA . 11302 1 415 . 1 1 41 41 THR HB H 1 3.163 0.030 . 1 . . . . 41 THR HB . 11302 1 416 . 1 1 41 41 THR HG21 H 1 0.692 0.030 . 1 . . . . 41 THR HG2 . 11302 1 417 . 1 1 41 41 THR HG22 H 1 0.692 0.030 . 1 . . . . 41 THR HG2 . 11302 1 418 . 1 1 41 41 THR HG23 H 1 0.692 0.030 . 1 . . . . 41 THR HG2 . 11302 1 419 . 1 1 41 41 THR C C 13 173.627 0.300 . 1 . . . . 41 THR C . 11302 1 420 . 1 1 41 41 THR CA C 13 64.795 0.300 . 1 . . . . 41 THR CA . 11302 1 421 . 1 1 41 41 THR CB C 13 69.678 0.300 . 1 . . . . 41 THR CB . 11302 1 422 . 1 1 41 41 THR CG2 C 13 21.454 0.300 . 1 . . . . 41 THR CG2 . 11302 1 423 . 1 1 41 41 THR N N 15 120.339 0.300 . 1 . . . . 41 THR N . 11302 1 424 . 1 1 42 42 CYS H H 1 8.388 0.030 . 1 . . . . 42 CYS H . 11302 1 425 . 1 1 42 42 CYS HA H 1 5.126 0.030 . 1 . . . . 42 CYS HA . 11302 1 426 . 1 1 42 42 CYS HB2 H 1 3.429 0.030 . 2 . . . . 42 CYS HB2 . 11302 1 427 . 1 1 42 42 CYS HB3 H 1 2.848 0.030 . 2 . . . . 42 CYS HB3 . 11302 1 428 . 1 1 42 42 CYS C C 13 173.639 0.300 . 1 . . . . 42 CYS C . 11302 1 429 . 1 1 42 42 CYS CA C 13 57.974 0.300 . 1 . . . . 42 CYS CA . 11302 1 430 . 1 1 42 42 CYS CB C 13 31.631 0.300 . 1 . . . . 42 CYS CB . 11302 1 431 . 1 1 42 42 CYS N N 15 124.237 0.300 . 1 . . . . 42 CYS N . 11302 1 432 . 1 1 43 43 ASP H H 1 8.038 0.030 . 1 . . . . 43 ASP H . 11302 1 433 . 1 1 43 43 ASP HA H 1 4.600 0.030 . 1 . . . . 43 ASP HA . 11302 1 434 . 1 1 43 43 ASP HB2 H 1 2.790 0.030 . 1 . . . . 43 ASP HB2 . 11302 1 435 . 1 1 43 43 ASP HB3 H 1 2.790 0.030 . 1 . . . . 43 ASP HB3 . 11302 1 436 . 1 1 43 43 ASP C C 13 175.590 0.300 . 1 . . . . 43 ASP C . 11302 1 437 . 1 1 43 43 ASP CA C 13 55.236 0.300 . 1 . . . . 43 ASP CA . 11302 1 438 . 1 1 43 43 ASP CB C 13 40.460 0.300 . 1 . . . . 43 ASP CB . 11302 1 439 . 1 1 43 43 ASP N N 15 116.711 0.300 . 1 . . . . 43 ASP N . 11302 1 440 . 1 1 44 44 TYR H H 1 8.688 0.030 . 1 . . . . 44 TYR H . 11302 1 441 . 1 1 44 44 TYR HA H 1 4.018 0.030 . 1 . . . . 44 TYR HA . 11302 1 442 . 1 1 44 44 TYR HB2 H 1 2.807 0.030 . 2 . . . . 44 TYR HB2 . 11302 1 443 . 1 1 44 44 TYR HB3 H 1 1.960 0.030 . 2 . . . . 44 TYR HB3 . 11302 1 444 . 1 1 44 44 TYR HD1 H 1 6.490 0.030 . 1 . . . . 44 TYR HD1 . 11302 1 445 . 1 1 44 44 TYR HD2 H 1 6.490 0.030 . 1 . . . . 44 TYR HD2 . 11302 1 446 . 1 1 44 44 TYR HE1 H 1 6.478 0.030 . 1 . . . . 44 TYR HE1 . 11302 1 447 . 1 1 44 44 TYR HE2 H 1 6.478 0.030 . 1 . . . . 44 TYR HE2 . 11302 1 448 . 1 1 44 44 TYR C C 13 173.143 0.300 . 1 . . . . 44 TYR C . 11302 1 449 . 1 1 44 44 TYR CA C 13 60.491 0.300 . 1 . . . . 44 TYR CA . 11302 1 450 . 1 1 44 44 TYR CB C 13 40.231 0.300 . 1 . . . . 44 TYR CB . 11302 1 451 . 1 1 44 44 TYR CD1 C 13 132.407 0.300 . 1 . . . . 44 TYR CD1 . 11302 1 452 . 1 1 44 44 TYR CD2 C 13 132.407 0.300 . 1 . . . . 44 TYR CD2 . 11302 1 453 . 1 1 44 44 TYR CE1 C 13 117.609 0.300 . 1 . . . . 44 TYR CE1 . 11302 1 454 . 1 1 44 44 TYR CE2 C 13 117.609 0.300 . 1 . . . . 44 TYR CE2 . 11302 1 455 . 1 1 44 44 TYR N N 15 125.097 0.300 . 1 . . . . 44 TYR N . 11302 1 456 . 1 1 45 45 ALA H H 1 7.098 0.030 . 1 . . . . 45 ALA H . 11302 1 457 . 1 1 45 45 ALA HA H 1 4.713 0.030 . 1 . . . . 45 ALA HA . 11302 1 458 . 1 1 45 45 ALA HB1 H 1 1.137 0.030 . 1 . . . . 45 ALA HB . 11302 1 459 . 1 1 45 45 ALA HB2 H 1 1.137 0.030 . 1 . . . . 45 ALA HB . 11302 1 460 . 1 1 45 45 ALA HB3 H 1 1.137 0.030 . 1 . . . . 45 ALA HB . 11302 1 461 . 1 1 45 45 ALA C C 13 174.323 0.300 . 1 . . . . 45 ALA C . 11302 1 462 . 1 1 45 45 ALA CA C 13 50.409 0.300 . 1 . . . . 45 ALA CA . 11302 1 463 . 1 1 45 45 ALA CB C 13 21.865 0.300 . 1 . . . . 45 ALA CB . 11302 1 464 . 1 1 45 45 ALA N N 15 129.258 0.300 . 1 . . . . 45 ALA N . 11302 1 465 . 1 1 46 46 ALA H H 1 8.676 0.030 . 1 . . . . 46 ALA H . 11302 1 466 . 1 1 46 46 ALA HA H 1 4.512 0.030 . 1 . . . . 46 ALA HA . 11302 1 467 . 1 1 46 46 ALA HB1 H 1 1.606 0.030 . 1 . . . . 46 ALA HB . 11302 1 468 . 1 1 46 46 ALA HB2 H 1 1.606 0.030 . 1 . . . . 46 ALA HB . 11302 1 469 . 1 1 46 46 ALA HB3 H 1 1.606 0.030 . 1 . . . . 46 ALA HB . 11302 1 470 . 1 1 46 46 ALA C C 13 176.436 0.300 . 1 . . . . 46 ALA C . 11302 1 471 . 1 1 46 46 ALA CA C 13 49.862 0.300 . 1 . . . . 46 ALA CA . 11302 1 472 . 1 1 46 46 ALA CB C 13 23.808 0.300 . 1 . . . . 46 ALA CB . 11302 1 473 . 1 1 46 46 ALA N N 15 122.380 0.300 . 1 . . . . 46 ALA N . 11302 1 474 . 1 1 47 47 ALA H H 1 8.806 0.030 . 1 . . . . 47 ALA H . 11302 1 475 . 1 1 47 47 ALA HA H 1 4.456 0.030 . 1 . . . . 47 ALA HA . 11302 1 476 . 1 1 47 47 ALA HB1 H 1 1.509 0.030 . 1 . . . . 47 ALA HB . 11302 1 477 . 1 1 47 47 ALA HB2 H 1 1.509 0.030 . 1 . . . . 47 ALA HB . 11302 1 478 . 1 1 47 47 ALA HB3 H 1 1.509 0.030 . 1 . . . . 47 ALA HB . 11302 1 479 . 1 1 47 47 ALA C C 13 176.438 0.300 . 1 . . . . 47 ALA C . 11302 1 480 . 1 1 47 47 ALA CA C 13 53.233 0.300 . 1 . . . . 47 ALA CA . 11302 1 481 . 1 1 47 47 ALA CB C 13 19.822 0.300 . 1 . . . . 47 ALA CB . 11302 1 482 . 1 1 47 47 ALA N N 15 120.108 0.300 . 1 . . . . 47 ALA N . 11302 1 483 . 1 1 48 48 ASP H H 1 7.383 0.030 . 1 . . . . 48 ASP H . 11302 1 484 . 1 1 48 48 ASP HA H 1 4.412 0.030 . 1 . . . . 48 ASP HA . 11302 1 485 . 1 1 48 48 ASP HB2 H 1 2.806 0.030 . 2 . . . . 48 ASP HB2 . 11302 1 486 . 1 1 48 48 ASP HB3 H 1 2.690 0.030 . 2 . . . . 48 ASP HB3 . 11302 1 487 . 1 1 48 48 ASP C C 13 174.451 0.300 . 1 . . . . 48 ASP C . 11302 1 488 . 1 1 48 48 ASP CA C 13 52.149 0.300 . 1 . . . . 48 ASP CA . 11302 1 489 . 1 1 48 48 ASP CB C 13 43.180 0.300 . 1 . . . . 48 ASP CB . 11302 1 490 . 1 1 48 48 ASP N N 15 112.026 0.300 . 1 . . . . 48 ASP N . 11302 1 491 . 1 1 49 49 SER H H 1 8.238 0.030 . 1 . . . . 49 SER H . 11302 1 492 . 1 1 49 49 SER HA H 1 3.413 0.030 . 1 . . . . 49 SER HA . 11302 1 493 . 1 1 49 49 SER HB2 H 1 3.506 0.030 . 2 . . . . 49 SER HB2 . 11302 1 494 . 1 1 49 49 SER HB3 H 1 3.685 0.030 . 2 . . . . 49 SER HB3 . 11302 1 495 . 1 1 49 49 SER C C 13 176.930 0.300 . 1 . . . . 49 SER C . 11302 1 496 . 1 1 49 49 SER CA C 13 60.819 0.300 . 1 . . . . 49 SER CA . 11302 1 497 . 1 1 49 49 SER CB C 13 62.578 0.300 . 1 . . . . 49 SER CB . 11302 1 498 . 1 1 49 49 SER N N 15 115.192 0.300 . 1 . . . . 49 SER N . 11302 1 499 . 1 1 50 50 SER HA H 1 3.882 0.030 . 1 . . . . 50 SER HA . 11302 1 500 . 1 1 50 50 SER HB2 H 1 4.225 0.030 . 1 . . . . 50 SER HB2 . 11302 1 501 . 1 1 50 50 SER HB3 H 1 4.225 0.030 . 1 . . . . 50 SER HB3 . 11302 1 502 . 1 1 50 50 SER C C 13 177.870 0.300 . 1 . . . . 50 SER C . 11302 1 503 . 1 1 50 50 SER CA C 13 62.216 0.300 . 1 . . . . 50 SER CA . 11302 1 504 . 1 1 50 50 SER CB C 13 61.773 0.300 . 1 . . . . 50 SER CB . 11302 1 505 . 1 1 51 51 SER H H 1 8.598 0.030 . 1 . . . . 51 SER H . 11302 1 506 . 1 1 51 51 SER HA H 1 4.236 0.030 . 1 . . . . 51 SER HA . 11302 1 507 . 1 1 51 51 SER HB2 H 1 3.950 0.030 . 2 . . . . 51 SER HB2 . 11302 1 508 . 1 1 51 51 SER HB3 H 1 4.022 0.030 . 2 . . . . 51 SER HB3 . 11302 1 509 . 1 1 51 51 SER C C 13 177.590 0.300 . 1 . . . . 51 SER C . 11302 1 510 . 1 1 51 51 SER CA C 13 62.312 0.300 . 1 . . . . 51 SER CA . 11302 1 511 . 1 1 51 51 SER CB C 13 62.219 0.300 . 1 . . . . 51 SER CB . 11302 1 512 . 1 1 51 51 SER N N 15 118.822 0.300 . 1 . . . . 51 SER N . 11302 1 513 . 1 1 52 52 LEU H H 1 7.465 0.030 . 1 . . . . 52 LEU H . 11302 1 514 . 1 1 52 52 LEU HA H 1 4.303 0.030 . 1 . . . . 52 LEU HA . 11302 1 515 . 1 1 52 52 LEU HB2 H 1 2.089 0.030 . 2 . . . . 52 LEU HB2 . 11302 1 516 . 1 1 52 52 LEU HB3 H 1 1.476 0.030 . 2 . . . . 52 LEU HB3 . 11302 1 517 . 1 1 52 52 LEU HD11 H 1 1.037 0.030 . 1 . . . . 52 LEU HD1 . 11302 1 518 . 1 1 52 52 LEU HD12 H 1 1.037 0.030 . 1 . . . . 52 LEU HD1 . 11302 1 519 . 1 1 52 52 LEU HD13 H 1 1.037 0.030 . 1 . . . . 52 LEU HD1 . 11302 1 520 . 1 1 52 52 LEU HD21 H 1 1.061 0.030 . 1 . . . . 52 LEU HD2 . 11302 1 521 . 1 1 52 52 LEU HD22 H 1 1.061 0.030 . 1 . . . . 52 LEU HD2 . 11302 1 522 . 1 1 52 52 LEU HD23 H 1 1.061 0.030 . 1 . . . . 52 LEU HD2 . 11302 1 523 . 1 1 52 52 LEU HG H 1 1.743 0.030 . 1 . . . . 52 LEU HG . 11302 1 524 . 1 1 52 52 LEU C C 13 177.392 0.300 . 1 . . . . 52 LEU C . 11302 1 525 . 1 1 52 52 LEU CA C 13 58.359 0.300 . 1 . . . . 52 LEU CA . 11302 1 526 . 1 1 52 52 LEU CB C 13 40.502 0.300 . 1 . . . . 52 LEU CB . 11302 1 527 . 1 1 52 52 LEU CD1 C 13 22.179 0.300 . 2 . . . . 52 LEU CD1 . 11302 1 528 . 1 1 52 52 LEU CD2 C 13 25.875 0.300 . 2 . . . . 52 LEU CD2 . 11302 1 529 . 1 1 52 52 LEU CG C 13 27.252 0.300 . 1 . . . . 52 LEU CG . 11302 1 530 . 1 1 52 52 LEU N N 15 123.538 0.300 . 1 . . . . 52 LEU N . 11302 1 531 . 1 1 53 53 ASN H H 1 8.453 0.030 . 1 . . . . 53 ASN H . 11302 1 532 . 1 1 53 53 ASN HA H 1 4.418 0.030 . 1 . . . . 53 ASN HA . 11302 1 533 . 1 1 53 53 ASN HB2 H 1 2.919 0.030 . 2 . . . . 53 ASN HB2 . 11302 1 534 . 1 1 53 53 ASN HB3 H 1 2.797 0.030 . 2 . . . . 53 ASN HB3 . 11302 1 535 . 1 1 53 53 ASN HD21 H 1 7.529 0.030 . 2 . . . . 53 ASN HD21 . 11302 1 536 . 1 1 53 53 ASN HD22 H 1 6.885 0.030 . 2 . . . . 53 ASN HD22 . 11302 1 537 . 1 1 53 53 ASN C C 13 178.137 0.300 . 1 . . . . 53 ASN C . 11302 1 538 . 1 1 53 53 ASN CA C 13 56.752 0.300 . 1 . . . . 53 ASN CA . 11302 1 539 . 1 1 53 53 ASN CB C 13 37.877 0.300 . 1 . . . . 53 ASN CB . 11302 1 540 . 1 1 53 53 ASN N N 15 118.010 0.300 . 1 . . . . 53 ASN N . 11302 1 541 . 1 1 53 53 ASN ND2 N 15 112.073 0.300 . 1 . . . . 53 ASN ND2 . 11302 1 542 . 1 1 54 54 LYS H H 1 7.813 0.030 . 1 . . . . 54 LYS H . 11302 1 543 . 1 1 54 54 LYS HA H 1 3.992 0.030 . 1 . . . . 54 LYS HA . 11302 1 544 . 1 1 54 54 LYS HB2 H 1 1.892 0.030 . 1 . . . . 54 LYS HB2 . 11302 1 545 . 1 1 54 54 LYS HB3 H 1 1.892 0.030 . 1 . . . . 54 LYS HB3 . 11302 1 546 . 1 1 54 54 LYS HD2 H 1 1.669 0.030 . 1 . . . . 54 LYS HD2 . 11302 1 547 . 1 1 54 54 LYS HD3 H 1 1.669 0.030 . 1 . . . . 54 LYS HD3 . 11302 1 548 . 1 1 54 54 LYS HE2 H 1 2.942 0.030 . 1 . . . . 54 LYS HE2 . 11302 1 549 . 1 1 54 54 LYS HE3 H 1 2.942 0.030 . 1 . . . . 54 LYS HE3 . 11302 1 550 . 1 1 54 54 LYS HG2 H 1 1.580 0.030 . 2 . . . . 54 LYS HG2 . 11302 1 551 . 1 1 54 54 LYS HG3 H 1 1.402 0.030 . 2 . . . . 54 LYS HG3 . 11302 1 552 . 1 1 54 54 LYS C C 13 178.984 0.300 . 1 . . . . 54 LYS C . 11302 1 553 . 1 1 54 54 LYS CA C 13 59.590 0.300 . 1 . . . . 54 LYS CA . 11302 1 554 . 1 1 54 54 LYS CB C 13 32.578 0.300 . 1 . . . . 54 LYS CB . 11302 1 555 . 1 1 54 54 LYS CD C 13 29.363 0.300 . 1 . . . . 54 LYS CD . 11302 1 556 . 1 1 54 54 LYS CE C 13 42.216 0.300 . 1 . . . . 54 LYS CE . 11302 1 557 . 1 1 54 54 LYS CG C 13 25.409 0.300 . 1 . . . . 54 LYS CG . 11302 1 558 . 1 1 54 54 LYS N N 15 118.869 0.300 . 1 . . . . 54 LYS N . 11302 1 559 . 1 1 55 55 HIS H H 1 7.777 0.030 . 1 . . . . 55 HIS H . 11302 1 560 . 1 1 55 55 HIS HA H 1 3.952 0.030 . 1 . . . . 55 HIS HA . 11302 1 561 . 1 1 55 55 HIS HB2 H 1 3.454 0.030 . 2 . . . . 55 HIS HB2 . 11302 1 562 . 1 1 55 55 HIS HB3 H 1 2.638 0.030 . 2 . . . . 55 HIS HB3 . 11302 1 563 . 1 1 55 55 HIS HD2 H 1 6.769 0.030 . 1 . . . . 55 HIS HD2 . 11302 1 564 . 1 1 55 55 HIS HE1 H 1 7.502 0.030 . 1 . . . . 55 HIS HE1 . 11302 1 565 . 1 1 55 55 HIS C C 13 175.980 0.300 . 1 . . . . 55 HIS C . 11302 1 566 . 1 1 55 55 HIS CA C 13 59.578 0.300 . 1 . . . . 55 HIS CA . 11302 1 567 . 1 1 55 55 HIS CB C 13 27.897 0.300 . 1 . . . . 55 HIS CB . 11302 1 568 . 1 1 55 55 HIS CD2 C 13 126.094 0.300 . 1 . . . . 55 HIS CD2 . 11302 1 569 . 1 1 55 55 HIS CE1 C 13 139.048 0.300 . 1 . . . . 55 HIS CE1 . 11302 1 570 . 1 1 55 55 HIS N N 15 120.138 0.300 . 1 . . . . 55 HIS N . 11302 1 571 . 1 1 56 56 LEU H H 1 8.345 0.030 . 1 . . . . 56 LEU H . 11302 1 572 . 1 1 56 56 LEU HA H 1 3.763 0.030 . 1 . . . . 56 LEU HA . 11302 1 573 . 1 1 56 56 LEU HB2 H 1 1.949 0.030 . 2 . . . . 56 LEU HB2 . 11302 1 574 . 1 1 56 56 LEU HB3 H 1 1.586 0.030 . 2 . . . . 56 LEU HB3 . 11302 1 575 . 1 1 56 56 LEU HD11 H 1 1.055 0.030 . 1 . . . . 56 LEU HD1 . 11302 1 576 . 1 1 56 56 LEU HD12 H 1 1.055 0.030 . 1 . . . . 56 LEU HD1 . 11302 1 577 . 1 1 56 56 LEU HD13 H 1 1.055 0.030 . 1 . . . . 56 LEU HD1 . 11302 1 578 . 1 1 56 56 LEU HD21 H 1 1.296 0.030 . 1 . . . . 56 LEU HD2 . 11302 1 579 . 1 1 56 56 LEU HD22 H 1 1.296 0.030 . 1 . . . . 56 LEU HD2 . 11302 1 580 . 1 1 56 56 LEU HD23 H 1 1.296 0.030 . 1 . . . . 56 LEU HD2 . 11302 1 581 . 1 1 56 56 LEU HG H 1 2.183 0.030 . 1 . . . . 56 LEU HG . 11302 1 582 . 1 1 56 56 LEU C C 13 179.093 0.300 . 1 . . . . 56 LEU C . 11302 1 583 . 1 1 56 56 LEU CA C 13 57.959 0.300 . 1 . . . . 56 LEU CA . 11302 1 584 . 1 1 56 56 LEU CB C 13 41.722 0.300 . 1 . . . . 56 LEU CB . 11302 1 585 . 1 1 56 56 LEU CD1 C 13 25.690 0.300 . 2 . . . . 56 LEU CD1 . 11302 1 586 . 1 1 56 56 LEU CD2 C 13 24.693 0.300 . 2 . . . . 56 LEU CD2 . 11302 1 587 . 1 1 56 56 LEU CG C 13 26.666 0.300 . 1 . . . . 56 LEU CG . 11302 1 588 . 1 1 56 56 LEU N N 15 115.446 0.300 . 1 . . . . 56 LEU N . 11302 1 589 . 1 1 57 57 ARG H H 1 7.074 0.030 . 1 . . . . 57 ARG H . 11302 1 590 . 1 1 57 57 ARG HA H 1 4.034 0.030 . 1 . . . . 57 ARG HA . 11302 1 591 . 1 1 57 57 ARG HB2 H 1 1.886 0.030 . 2 . . . . 57 ARG HB2 . 11302 1 592 . 1 1 57 57 ARG HB3 H 1 1.781 0.030 . 2 . . . . 57 ARG HB3 . 11302 1 593 . 1 1 57 57 ARG HD2 H 1 3.202 0.030 . 1 . . . . 57 ARG HD2 . 11302 1 594 . 1 1 57 57 ARG HD3 H 1 3.202 0.030 . 1 . . . . 57 ARG HD3 . 11302 1 595 . 1 1 57 57 ARG HG2 H 1 1.812 0.030 . 2 . . . . 57 ARG HG2 . 11302 1 596 . 1 1 57 57 ARG HG3 H 1 1.690 0.030 . 2 . . . . 57 ARG HG3 . 11302 1 597 . 1 1 57 57 ARG C C 13 178.577 0.300 . 1 . . . . 57 ARG C . 11302 1 598 . 1 1 57 57 ARG CA C 13 58.312 0.300 . 1 . . . . 57 ARG CA . 11302 1 599 . 1 1 57 57 ARG CB C 13 29.950 0.300 . 1 . . . . 57 ARG CB . 11302 1 600 . 1 1 57 57 ARG CD C 13 43.287 0.300 . 1 . . . . 57 ARG CD . 11302 1 601 . 1 1 57 57 ARG CG C 13 27.112 0.300 . 1 . . . . 57 ARG CG . 11302 1 602 . 1 1 57 57 ARG N N 15 117.186 0.300 . 1 . . . . 57 ARG N . 11302 1 603 . 1 1 58 58 ILE H H 1 7.801 0.030 . 1 . . . . 58 ILE H . 11302 1 604 . 1 1 58 58 ILE HA H 1 3.905 0.030 . 1 . . . . 58 ILE HA . 11302 1 605 . 1 1 58 58 ILE HB H 1 1.567 0.030 . 1 . . . . 58 ILE HB . 11302 1 606 . 1 1 58 58 ILE HD11 H 1 0.547 0.030 . 1 . . . . 58 ILE HD1 . 11302 1 607 . 1 1 58 58 ILE HD12 H 1 0.547 0.030 . 1 . . . . 58 ILE HD1 . 11302 1 608 . 1 1 58 58 ILE HD13 H 1 0.547 0.030 . 1 . . . . 58 ILE HD1 . 11302 1 609 . 1 1 58 58 ILE HG12 H 1 0.766 0.030 . 2 . . . . 58 ILE HG12 . 11302 1 610 . 1 1 58 58 ILE HG13 H 1 0.529 0.030 . 2 . . . . 58 ILE HG13 . 11302 1 611 . 1 1 58 58 ILE HG21 H 1 0.478 0.030 . 1 . . . . 58 ILE HG2 . 11302 1 612 . 1 1 58 58 ILE HG22 H 1 0.478 0.030 . 1 . . . . 58 ILE HG2 . 11302 1 613 . 1 1 58 58 ILE HG23 H 1 0.478 0.030 . 1 . . . . 58 ILE HG2 . 11302 1 614 . 1 1 58 58 ILE C C 13 177.337 0.300 . 1 . . . . 58 ILE C . 11302 1 615 . 1 1 58 58 ILE CA C 13 63.201 0.300 . 1 . . . . 58 ILE CA . 11302 1 616 . 1 1 58 58 ILE CB C 13 37.480 0.300 . 1 . . . . 58 ILE CB . 11302 1 617 . 1 1 58 58 ILE CD1 C 13 14.451 0.300 . 1 . . . . 58 ILE CD1 . 11302 1 618 . 1 1 58 58 ILE CG1 C 13 26.245 0.300 . 1 . . . . 58 ILE CG1 . 11302 1 619 . 1 1 58 58 ILE CG2 C 13 16.264 0.300 . 1 . . . . 58 ILE CG2 . 11302 1 620 . 1 1 58 58 ILE N N 15 116.007 0.300 . 1 . . . . 58 ILE N . 11302 1 621 . 1 1 59 59 HIS H H 1 7.047 0.030 . 1 . . . . 59 HIS H . 11302 1 622 . 1 1 59 59 HIS HA H 1 4.861 0.030 . 1 . . . . 59 HIS HA . 11302 1 623 . 1 1 59 59 HIS HB2 H 1 3.354 0.030 . 2 . . . . 59 HIS HB2 . 11302 1 624 . 1 1 59 59 HIS HB3 H 1 3.119 0.030 . 2 . . . . 59 HIS HB3 . 11302 1 625 . 1 1 59 59 HIS HD2 H 1 6.694 0.030 . 1 . . . . 59 HIS HD2 . 11302 1 626 . 1 1 59 59 HIS HE1 H 1 7.994 0.030 . 1 . . . . 59 HIS HE1 . 11302 1 627 . 1 1 59 59 HIS C C 13 175.388 0.300 . 1 . . . . 59 HIS C . 11302 1 628 . 1 1 59 59 HIS CA C 13 54.729 0.300 . 1 . . . . 59 HIS CA . 11302 1 629 . 1 1 59 59 HIS CB C 13 28.495 0.300 . 1 . . . . 59 HIS CB . 11302 1 630 . 1 1 59 59 HIS CD2 C 13 127.365 0.300 . 1 . . . . 59 HIS CD2 . 11302 1 631 . 1 1 59 59 HIS CE1 C 13 140.122 0.300 . 1 . . . . 59 HIS CE1 . 11302 1 632 . 1 1 59 59 HIS N N 15 116.903 0.300 . 1 . . . . 59 HIS N . 11302 1 633 . 1 1 60 60 SER H H 1 7.658 0.030 . 1 . . . . 60 SER H . 11302 1 634 . 1 1 60 60 SER HA H 1 4.372 0.030 . 1 . . . . 60 SER HA . 11302 1 635 . 1 1 60 60 SER HB2 H 1 3.896 0.030 . 2 . . . . 60 SER HB2 . 11302 1 636 . 1 1 60 60 SER HB3 H 1 3.854 0.030 . 2 . . . . 60 SER HB3 . 11302 1 637 . 1 1 60 60 SER C C 13 174.257 0.300 . 1 . . . . 60 SER C . 11302 1 638 . 1 1 60 60 SER CA C 13 59.169 0.300 . 1 . . . . 60 SER CA . 11302 1 639 . 1 1 60 60 SER CB C 13 63.784 0.300 . 1 . . . . 60 SER CB . 11302 1 640 . 1 1 60 60 SER N N 15 115.096 0.300 . 1 . . . . 60 SER N . 11302 1 641 . 1 1 61 61 ASP H H 1 8.248 0.030 . 1 . . . . 61 ASP H . 11302 1 642 . 1 1 61 61 ASP HA H 1 4.591 0.030 . 1 . . . . 61 ASP HA . 11302 1 643 . 1 1 61 61 ASP HB2 H 1 2.658 0.030 . 2 . . . . 61 ASP HB2 . 11302 1 644 . 1 1 61 61 ASP HB3 H 1 2.553 0.030 . 2 . . . . 61 ASP HB3 . 11302 1 645 . 1 1 61 61 ASP C C 13 176.117 0.300 . 1 . . . . 61 ASP C . 11302 1 646 . 1 1 61 61 ASP CA C 13 54.165 0.300 . 1 . . . . 61 ASP CA . 11302 1 647 . 1 1 61 61 ASP CB C 13 41.053 0.300 . 1 . . . . 61 ASP CB . 11302 1 648 . 1 1 61 61 ASP N N 15 122.397 0.300 . 1 . . . . 61 ASP N . 11302 1 649 . 1 1 62 62 GLU H H 1 8.145 0.030 . 1 . . . . 62 GLU H . 11302 1 650 . 1 1 62 62 GLU HA H 1 4.136 0.030 . 1 . . . . 62 GLU HA . 11302 1 651 . 1 1 62 62 GLU HB2 H 1 2.015 0.030 . 2 . . . . 62 GLU HB2 . 11302 1 652 . 1 1 62 62 GLU HB3 H 1 1.965 0.030 . 2 . . . . 62 GLU HB3 . 11302 1 653 . 1 1 62 62 GLU HG2 H 1 2.291 0.030 . 2 . . . . 62 GLU HG2 . 11302 1 654 . 1 1 62 62 GLU HG3 H 1 2.211 0.030 . 2 . . . . 62 GLU HG3 . 11302 1 655 . 1 1 62 62 GLU C C 13 176.343 0.300 . 1 . . . . 62 GLU C . 11302 1 656 . 1 1 62 62 GLU CA C 13 57.139 0.300 . 1 . . . . 62 GLU CA . 11302 1 657 . 1 1 62 62 GLU CB C 13 30.253 0.300 . 1 . . . . 62 GLU CB . 11302 1 658 . 1 1 62 62 GLU CG C 13 36.410 0.300 . 1 . . . . 62 GLU CG . 11302 1 659 . 1 1 62 62 GLU N N 15 121.543 0.300 . 1 . . . . 62 GLU N . 11302 1 660 . 1 1 63 63 ARG H H 1 8.201 0.030 . 1 . . . . 63 ARG H . 11302 1 661 . 1 1 63 63 ARG HA H 1 4.457 0.030 . 1 . . . . 63 ARG HA . 11302 1 662 . 1 1 63 63 ARG HB2 H 1 1.563 0.030 . 2 . . . . 63 ARG HB2 . 11302 1 663 . 1 1 63 63 ARG HB3 H 1 1.210 0.030 . 2 . . . . 63 ARG HB3 . 11302 1 664 . 1 1 63 63 ARG HD2 H 1 3.061 0.030 . 2 . . . . 63 ARG HD2 . 11302 1 665 . 1 1 63 63 ARG HD3 H 1 2.915 0.030 . 2 . . . . 63 ARG HD3 . 11302 1 666 . 1 1 63 63 ARG HG2 H 1 1.475 0.030 . 2 . . . . 63 ARG HG2 . 11302 1 667 . 1 1 63 63 ARG HG3 H 1 1.298 0.030 . 2 . . . . 63 ARG HG3 . 11302 1 668 . 1 1 63 63 ARG C C 13 173.444 0.300 . 1 . . . . 63 ARG C . 11302 1 669 . 1 1 63 63 ARG CA C 13 53.453 0.300 . 1 . . . . 63 ARG CA . 11302 1 670 . 1 1 63 63 ARG CB C 13 30.726 0.300 . 1 . . . . 63 ARG CB . 11302 1 671 . 1 1 63 63 ARG CD C 13 43.518 0.300 . 1 . . . . 63 ARG CD . 11302 1 672 . 1 1 63 63 ARG CG C 13 27.020 0.300 . 1 . . . . 63 ARG CG . 11302 1 673 . 1 1 63 63 ARG N N 15 120.117 0.300 . 1 . . . . 63 ARG N . 11302 1 674 . 1 1 64 64 PRO HA H 1 4.168 0.030 . 1 . . . . 64 PRO HA . 11302 1 675 . 1 1 64 64 PRO HB2 H 1 1.991 0.030 . 2 . . . . 64 PRO HB2 . 11302 1 676 . 1 1 64 64 PRO HB3 H 1 1.263 0.030 . 2 . . . . 64 PRO HB3 . 11302 1 677 . 1 1 64 64 PRO HD2 H 1 3.654 0.030 . 2 . . . . 64 PRO HD2 . 11302 1 678 . 1 1 64 64 PRO HD3 H 1 3.571 0.030 . 2 . . . . 64 PRO HD3 . 11302 1 679 . 1 1 64 64 PRO HG2 H 1 1.818 0.030 . 2 . . . . 64 PRO HG2 . 11302 1 680 . 1 1 64 64 PRO HG3 H 1 1.605 0.030 . 2 . . . . 64 PRO HG3 . 11302 1 681 . 1 1 64 64 PRO C C 13 176.412 0.300 . 1 . . . . 64 PRO C . 11302 1 682 . 1 1 64 64 PRO CA C 13 63.810 0.300 . 1 . . . . 64 PRO CA . 11302 1 683 . 1 1 64 64 PRO CB C 13 32.256 0.300 . 1 . . . . 64 PRO CB . 11302 1 684 . 1 1 64 64 PRO CD C 13 50.288 0.300 . 1 . . . . 64 PRO CD . 11302 1 685 . 1 1 64 64 PRO CG C 13 26.666 0.300 . 1 . . . . 64 PRO CG . 11302 1 686 . 1 1 65 65 PHE H H 1 7.738 0.030 . 1 . . . . 65 PHE H . 11302 1 687 . 1 1 65 65 PHE HA H 1 4.516 0.030 . 1 . . . . 65 PHE HA . 11302 1 688 . 1 1 65 65 PHE HB2 H 1 2.978 0.030 . 2 . . . . 65 PHE HB2 . 11302 1 689 . 1 1 65 65 PHE HB3 H 1 2.888 0.030 . 2 . . . . 65 PHE HB3 . 11302 1 690 . 1 1 65 65 PHE HD1 H 1 7.087 0.030 . 1 . . . . 65 PHE HD1 . 11302 1 691 . 1 1 65 65 PHE HD2 H 1 7.087 0.030 . 1 . . . . 65 PHE HD2 . 11302 1 692 . 1 1 65 65 PHE HE1 H 1 7.402 0.030 . 1 . . . . 65 PHE HE1 . 11302 1 693 . 1 1 65 65 PHE HE2 H 1 7.402 0.030 . 1 . . . . 65 PHE HE2 . 11302 1 694 . 1 1 65 65 PHE HZ H 1 7.366 0.030 . 1 . . . . 65 PHE HZ . 11302 1 695 . 1 1 65 65 PHE C C 13 173.941 0.300 . 1 . . . . 65 PHE C . 11302 1 696 . 1 1 65 65 PHE CA C 13 58.006 0.300 . 1 . . . . 65 PHE CA . 11302 1 697 . 1 1 65 65 PHE CB C 13 37.907 0.300 . 1 . . . . 65 PHE CB . 11302 1 698 . 1 1 65 65 PHE CD1 C 13 131.718 0.300 . 1 . . . . 65 PHE CD1 . 11302 1 699 . 1 1 65 65 PHE CD2 C 13 131.718 0.300 . 1 . . . . 65 PHE CD2 . 11302 1 700 . 1 1 65 65 PHE CE1 C 13 131.636 0.300 . 1 . . . . 65 PHE CE1 . 11302 1 701 . 1 1 65 65 PHE CE2 C 13 131.636 0.300 . 1 . . . . 65 PHE CE2 . 11302 1 702 . 1 1 65 65 PHE CZ C 13 129.994 0.300 . 1 . . . . 65 PHE CZ . 11302 1 703 . 1 1 65 65 PHE N N 15 119.138 0.300 . 1 . . . . 65 PHE N . 11302 1 704 . 1 1 66 66 LYS H H 1 8.204 0.030 . 1 . . . . 66 LYS H . 11302 1 705 . 1 1 66 66 LYS HA H 1 4.664 0.030 . 1 . . . . 66 LYS HA . 11302 1 706 . 1 1 66 66 LYS HB2 H 1 1.996 0.030 . 2 . . . . 66 LYS HB2 . 11302 1 707 . 1 1 66 66 LYS HB3 H 1 1.626 0.030 . 2 . . . . 66 LYS HB3 . 11302 1 708 . 1 1 66 66 LYS HD2 H 1 1.614 0.030 . 1 . . . . 66 LYS HD2 . 11302 1 709 . 1 1 66 66 LYS HD3 H 1 1.614 0.030 . 1 . . . . 66 LYS HD3 . 11302 1 710 . 1 1 66 66 LYS HE2 H 1 2.913 0.030 . 1 . . . . 66 LYS HE2 . 11302 1 711 . 1 1 66 66 LYS HE3 H 1 2.913 0.030 . 1 . . . . 66 LYS HE3 . 11302 1 712 . 1 1 66 66 LYS HG2 H 1 1.356 0.030 . 1 . . . . 66 LYS HG2 . 11302 1 713 . 1 1 66 66 LYS HG3 H 1 1.356 0.030 . 1 . . . . 66 LYS HG3 . 11302 1 714 . 1 1 66 66 LYS C C 13 175.736 0.300 . 1 . . . . 66 LYS C . 11302 1 715 . 1 1 66 66 LYS CA C 13 55.199 0.300 . 1 . . . . 66 LYS CA . 11302 1 716 . 1 1 66 66 LYS CB C 13 34.271 0.300 . 1 . . . . 66 LYS CB . 11302 1 717 . 1 1 66 66 LYS CD C 13 28.952 0.300 . 1 . . . . 66 LYS CD . 11302 1 718 . 1 1 66 66 LYS CE C 13 42.463 0.300 . 1 . . . . 66 LYS CE . 11302 1 719 . 1 1 66 66 LYS CG C 13 24.727 0.300 . 1 . . . . 66 LYS CG . 11302 1 720 . 1 1 66 66 LYS N N 15 123.520 0.300 . 1 . . . . 66 LYS N . 11302 1 721 . 1 1 67 67 CYS H H 1 8.763 0.030 . 1 . . . . 67 CYS H . 11302 1 722 . 1 1 67 67 CYS HA H 1 4.325 0.030 . 1 . . . . 67 CYS HA . 11302 1 723 . 1 1 67 67 CYS HB2 H 1 3.783 0.030 . 2 . . . . 67 CYS HB2 . 11302 1 724 . 1 1 67 67 CYS HB3 H 1 2.769 0.030 . 2 . . . . 67 CYS HB3 . 11302 1 725 . 1 1 67 67 CYS C C 13 175.532 0.300 . 1 . . . . 67 CYS C . 11302 1 726 . 1 1 67 67 CYS CA C 13 60.812 0.300 . 1 . . . . 67 CYS CA . 11302 1 727 . 1 1 67 67 CYS CB C 13 29.956 0.300 . 1 . . . . 67 CYS CB . 11302 1 728 . 1 1 67 67 CYS N N 15 127.264 0.300 . 1 . . . . 67 CYS N . 11302 1 729 . 1 1 68 68 GLN H H 1 8.903 0.030 . 1 . . . . 68 GLN H . 11302 1 730 . 1 1 68 68 GLN HA H 1 4.445 0.030 . 1 . . . . 68 GLN HA . 11302 1 731 . 1 1 68 68 GLN HB2 H 1 2.300 0.030 . 2 . . . . 68 GLN HB2 . 11302 1 732 . 1 1 68 68 GLN HB3 H 1 2.048 0.030 . 2 . . . . 68 GLN HB3 . 11302 1 733 . 1 1 68 68 GLN HG2 H 1 2.537 0.030 . 2 . . . . 68 GLN HG2 . 11302 1 734 . 1 1 68 68 GLN HG3 H 1 2.471 0.030 . 2 . . . . 68 GLN HG3 . 11302 1 735 . 1 1 68 68 GLN C C 13 176.273 0.300 . 1 . . . . 68 GLN C . 11302 1 736 . 1 1 68 68 GLN CA C 13 56.834 0.300 . 1 . . . . 68 GLN CA . 11302 1 737 . 1 1 68 68 GLN CB C 13 29.226 0.300 . 1 . . . . 68 GLN CB . 11302 1 738 . 1 1 68 68 GLN CG C 13 34.307 0.300 . 1 . . . . 68 GLN CG . 11302 1 739 . 1 1 68 68 GLN N N 15 124.591 0.300 . 1 . . . . 68 GLN N . 11302 1 740 . 1 1 69 69 ILE H H 1 9.581 0.030 . 1 . . . . 69 ILE H . 11302 1 741 . 1 1 69 69 ILE HA H 1 3.997 0.030 . 1 . . . . 69 ILE HA . 11302 1 742 . 1 1 69 69 ILE HB H 1 1.141 0.030 . 1 . . . . 69 ILE HB . 11302 1 743 . 1 1 69 69 ILE HD11 H 1 0.562 0.030 . 1 . . . . 69 ILE HD1 . 11302 1 744 . 1 1 69 69 ILE HD12 H 1 0.562 0.030 . 1 . . . . 69 ILE HD1 . 11302 1 745 . 1 1 69 69 ILE HD13 H 1 0.562 0.030 . 1 . . . . 69 ILE HD1 . 11302 1 746 . 1 1 69 69 ILE HG12 H 1 1.175 0.030 . 2 . . . . 69 ILE HG12 . 11302 1 747 . 1 1 69 69 ILE HG13 H 1 0.916 0.030 . 2 . . . . 69 ILE HG13 . 11302 1 748 . 1 1 69 69 ILE HG21 H 1 0.429 0.030 . 1 . . . . 69 ILE HG2 . 11302 1 749 . 1 1 69 69 ILE HG22 H 1 0.429 0.030 . 1 . . . . 69 ILE HG2 . 11302 1 750 . 1 1 69 69 ILE HG23 H 1 0.429 0.030 . 1 . . . . 69 ILE HG2 . 11302 1 751 . 1 1 69 69 ILE C C 13 174.554 0.300 . 1 . . . . 69 ILE C . 11302 1 752 . 1 1 69 69 ILE CA C 13 62.159 0.300 . 1 . . . . 69 ILE CA . 11302 1 753 . 1 1 69 69 ILE CB C 13 39.835 0.300 . 1 . . . . 69 ILE CB . 11302 1 754 . 1 1 69 69 ILE CD1 C 13 12.720 0.300 . 1 . . . . 69 ILE CD1 . 11302 1 755 . 1 1 69 69 ILE CG1 C 13 28.151 0.300 . 1 . . . . 69 ILE CG1 . 11302 1 756 . 1 1 69 69 ILE CG2 C 13 17.095 0.300 . 1 . . . . 69 ILE CG2 . 11302 1 757 . 1 1 69 69 ILE N N 15 123.743 0.300 . 1 . . . . 69 ILE N . 11302 1 758 . 1 1 70 70 CYS H H 1 8.651 0.030 . 1 . . . . 70 CYS H . 11302 1 759 . 1 1 70 70 CYS HA H 1 5.219 0.030 . 1 . . . . 70 CYS HA . 11302 1 760 . 1 1 70 70 CYS HB2 H 1 3.535 0.030 . 2 . . . . 70 CYS HB2 . 11302 1 761 . 1 1 70 70 CYS HB3 H 1 2.783 0.030 . 2 . . . . 70 CYS HB3 . 11302 1 762 . 1 1 70 70 CYS C C 13 172.581 0.300 . 1 . . . . 70 CYS C . 11302 1 763 . 1 1 70 70 CYS CA C 13 57.516 0.300 . 1 . . . . 70 CYS CA . 11302 1 764 . 1 1 70 70 CYS CB C 13 31.514 0.300 . 1 . . . . 70 CYS CB . 11302 1 765 . 1 1 70 70 CYS N N 15 127.060 0.300 . 1 . . . . 70 CYS N . 11302 1 766 . 1 1 71 71 PRO HA H 1 4.623 0.030 . 1 . . . . 71 PRO HA . 11302 1 767 . 1 1 71 71 PRO HB2 H 1 2.334 0.030 . 2 . . . . 71 PRO HB2 . 11302 1 768 . 1 1 71 71 PRO HB3 H 1 1.969 0.030 . 2 . . . . 71 PRO HB3 . 11302 1 769 . 1 1 71 71 PRO HD2 H 1 3.831 0.030 . 2 . . . . 71 PRO HD2 . 11302 1 770 . 1 1 71 71 PRO HD3 H 1 3.567 0.030 . 2 . . . . 71 PRO HD3 . 11302 1 771 . 1 1 71 71 PRO HG2 H 1 2.014 0.030 . 2 . . . . 71 PRO HG2 . 11302 1 772 . 1 1 71 71 PRO HG3 H 1 1.920 0.030 . 2 . . . . 71 PRO HG3 . 11302 1 773 . 1 1 71 71 PRO C C 13 176.223 0.300 . 1 . . . . 71 PRO C . 11302 1 774 . 1 1 71 71 PRO CA C 13 64.143 0.300 . 1 . . . . 71 PRO CA . 11302 1 775 . 1 1 71 71 PRO CB C 13 31.648 0.300 . 1 . . . . 71 PRO CB . 11302 1 776 . 1 1 71 71 PRO CD C 13 50.867 0.300 . 1 . . . . 71 PRO CD . 11302 1 777 . 1 1 71 71 PRO CG C 13 27.555 0.300 . 1 . . . . 71 PRO CG . 11302 1 778 . 1 1 72 72 TYR H H 1 8.566 0.030 . 1 . . . . 72 TYR H . 11302 1 779 . 1 1 72 72 TYR HA H 1 3.917 0.030 . 1 . . . . 72 TYR HA . 11302 1 780 . 1 1 72 72 TYR HB2 H 1 2.597 0.030 . 2 . . . . 72 TYR HB2 . 11302 1 781 . 1 1 72 72 TYR HB3 H 1 2.028 0.030 . 2 . . . . 72 TYR HB3 . 11302 1 782 . 1 1 72 72 TYR HD1 H 1 6.500 0.030 . 1 . . . . 72 TYR HD1 . 11302 1 783 . 1 1 72 72 TYR HD2 H 1 6.500 0.030 . 1 . . . . 72 TYR HD2 . 11302 1 784 . 1 1 72 72 TYR HE1 H 1 6.457 0.030 . 1 . . . . 72 TYR HE1 . 11302 1 785 . 1 1 72 72 TYR HE2 H 1 6.457 0.030 . 1 . . . . 72 TYR HE2 . 11302 1 786 . 1 1 72 72 TYR C C 13 173.256 0.300 . 1 . . . . 72 TYR C . 11302 1 787 . 1 1 72 72 TYR CA C 13 60.734 0.300 . 1 . . . . 72 TYR CA . 11302 1 788 . 1 1 72 72 TYR CB C 13 40.157 0.300 . 1 . . . . 72 TYR CB . 11302 1 789 . 1 1 72 72 TYR CD1 C 13 132.650 0.300 . 1 . . . . 72 TYR CD1 . 11302 1 790 . 1 1 72 72 TYR CD2 C 13 132.650 0.300 . 1 . . . . 72 TYR CD2 . 11302 1 791 . 1 1 72 72 TYR CE1 C 13 117.305 0.300 . 1 . . . . 72 TYR CE1 . 11302 1 792 . 1 1 72 72 TYR CE2 C 13 117.305 0.300 . 1 . . . . 72 TYR CE2 . 11302 1 793 . 1 1 72 72 TYR N N 15 124.773 0.300 . 1 . . . . 72 TYR N . 11302 1 794 . 1 1 73 73 ALA H H 1 6.921 0.030 . 1 . . . . 73 ALA H . 11302 1 795 . 1 1 73 73 ALA HA H 1 4.923 0.030 . 1 . . . . 73 ALA HA . 11302 1 796 . 1 1 73 73 ALA HB1 H 1 1.189 0.030 . 1 . . . . 73 ALA HB . 11302 1 797 . 1 1 73 73 ALA HB2 H 1 1.189 0.030 . 1 . . . . 73 ALA HB . 11302 1 798 . 1 1 73 73 ALA HB3 H 1 1.189 0.030 . 1 . . . . 73 ALA HB . 11302 1 799 . 1 1 73 73 ALA C C 13 175.057 0.300 . 1 . . . . 73 ALA C . 11302 1 800 . 1 1 73 73 ALA CA C 13 50.676 0.300 . 1 . . . . 73 ALA CA . 11302 1 801 . 1 1 73 73 ALA CB C 13 22.851 0.300 . 1 . . . . 73 ALA CB . 11302 1 802 . 1 1 73 73 ALA N N 15 128.476 0.300 . 1 . . . . 73 ALA N . 11302 1 803 . 1 1 74 74 SER H H 1 9.033 0.030 . 1 . . . . 74 SER H . 11302 1 804 . 1 1 74 74 SER HA H 1 4.653 0.030 . 1 . . . . 74 SER HA . 11302 1 805 . 1 1 74 74 SER HB2 H 1 4.165 0.030 . 2 . . . . 74 SER HB2 . 11302 1 806 . 1 1 74 74 SER HB3 H 1 3.686 0.030 . 2 . . . . 74 SER HB3 . 11302 1 807 . 1 1 74 74 SER C C 13 174.165 0.300 . 1 . . . . 74 SER C . 11302 1 808 . 1 1 74 74 SER CA C 13 56.312 0.300 . 1 . . . . 74 SER CA . 11302 1 809 . 1 1 74 74 SER CB C 13 66.052 0.300 . 1 . . . . 74 SER CB . 11302 1 810 . 1 1 74 74 SER N N 15 113.538 0.300 . 1 . . . . 74 SER N . 11302 1 811 . 1 1 75 75 ARG H H 1 8.661 0.030 . 1 . . . . 75 ARG H . 11302 1 812 . 1 1 75 75 ARG HA H 1 4.566 0.030 . 1 . . . . 75 ARG HA . 11302 1 813 . 1 1 75 75 ARG HB2 H 1 2.042 0.030 . 2 . . . . 75 ARG HB2 . 11302 1 814 . 1 1 75 75 ARG HB3 H 1 1.908 0.030 . 2 . . . . 75 ARG HB3 . 11302 1 815 . 1 1 75 75 ARG HD2 H 1 3.277 0.030 . 1 . . . . 75 ARG HD2 . 11302 1 816 . 1 1 75 75 ARG HD3 H 1 3.277 0.030 . 1 . . . . 75 ARG HD3 . 11302 1 817 . 1 1 75 75 ARG HG2 H 1 1.808 0.030 . 2 . . . . 75 ARG HG2 . 11302 1 818 . 1 1 75 75 ARG HG3 H 1 1.765 0.030 . 2 . . . . 75 ARG HG3 . 11302 1 819 . 1 1 75 75 ARG C C 13 175.684 0.300 . 1 . . . . 75 ARG C . 11302 1 820 . 1 1 75 75 ARG CA C 13 57.824 0.300 . 1 . . . . 75 ARG CA . 11302 1 821 . 1 1 75 75 ARG CB C 13 31.115 0.300 . 1 . . . . 75 ARG CB . 11302 1 822 . 1 1 75 75 ARG CD C 13 43.534 0.300 . 1 . . . . 75 ARG CD . 11302 1 823 . 1 1 75 75 ARG CG C 13 28.045 0.300 . 1 . . . . 75 ARG CG . 11302 1 824 . 1 1 75 75 ARG N N 15 121.150 0.300 . 1 . . . . 75 ARG N . 11302 1 825 . 1 1 76 76 ASN H H 1 8.248 0.030 . 1 . . . . 76 ASN H . 11302 1 826 . 1 1 76 76 ASN HA H 1 4.911 0.030 . 1 . . . . 76 ASN HA . 11302 1 827 . 1 1 76 76 ASN HB2 H 1 2.801 0.030 . 2 . . . . 76 ASN HB2 . 11302 1 828 . 1 1 76 76 ASN HB3 H 1 2.764 0.030 . 2 . . . . 76 ASN HB3 . 11302 1 829 . 1 1 76 76 ASN HD21 H 1 7.556 0.030 . 2 . . . . 76 ASN HD21 . 11302 1 830 . 1 1 76 76 ASN HD22 H 1 6.979 0.030 . 2 . . . . 76 ASN HD22 . 11302 1 831 . 1 1 76 76 ASN C C 13 175.132 0.300 . 1 . . . . 76 ASN C . 11302 1 832 . 1 1 76 76 ASN CA C 13 51.863 0.300 . 1 . . . . 76 ASN CA . 11302 1 833 . 1 1 76 76 ASN CB C 13 41.348 0.300 . 1 . . . . 76 ASN CB . 11302 1 834 . 1 1 76 76 ASN N N 15 114.443 0.300 . 1 . . . . 76 ASN N . 11302 1 835 . 1 1 76 76 ASN ND2 N 15 113.774 0.300 . 1 . . . . 76 ASN ND2 . 11302 1 836 . 1 1 77 77 SER HA H 1 3.200 0.030 . 1 . . . . 77 SER HA . 11302 1 837 . 1 1 77 77 SER HB2 H 1 3.423 0.030 . 2 . . . . 77 SER HB2 . 11302 1 838 . 1 1 77 77 SER HB3 H 1 3.138 0.030 . 2 . . . . 77 SER HB3 . 11302 1 839 . 1 1 77 77 SER CA C 13 60.883 0.300 . 1 . . . . 77 SER CA . 11302 1 840 . 1 1 77 77 SER CB C 13 62.238 0.300 . 1 . . . . 77 SER CB . 11302 1 841 . 1 1 78 78 SER HA H 1 3.897 0.030 . 1 . . . . 78 SER HA . 11302 1 842 . 1 1 78 78 SER HB2 H 1 4.172 0.030 . 1 . . . . 78 SER HB2 . 11302 1 843 . 1 1 78 78 SER HB3 H 1 4.172 0.030 . 1 . . . . 78 SER HB3 . 11302 1 844 . 1 1 78 78 SER C C 13 177.074 0.300 . 1 . . . . 78 SER C . 11302 1 845 . 1 1 78 78 SER CA C 13 62.027 0.300 . 1 . . . . 78 SER CA . 11302 1 846 . 1 1 78 78 SER CB C 13 61.826 0.300 . 1 . . . . 78 SER CB . 11302 1 847 . 1 1 79 79 GLN H H 1 7.785 0.030 . 1 . . . . 79 GLN H . 11302 1 848 . 1 1 79 79 GLN HA H 1 4.102 0.030 . 1 . . . . 79 GLN HA . 11302 1 849 . 1 1 79 79 GLN HB2 H 1 2.355 0.030 . 2 . . . . 79 GLN HB2 . 11302 1 850 . 1 1 79 79 GLN HB3 H 1 2.307 0.030 . 2 . . . . 79 GLN HB3 . 11302 1 851 . 1 1 79 79 GLN HG2 H 1 2.569 0.030 . 2 . . . . 79 GLN HG2 . 11302 1 852 . 1 1 79 79 GLN HG3 H 1 2.495 0.030 . 2 . . . . 79 GLN HG3 . 11302 1 853 . 1 1 79 79 GLN C C 13 179.249 0.300 . 1 . . . . 79 GLN C . 11302 1 854 . 1 1 79 79 GLN CA C 13 58.473 0.300 . 1 . . . . 79 GLN CA . 11302 1 855 . 1 1 79 79 GLN CB C 13 28.371 0.300 . 1 . . . . 79 GLN CB . 11302 1 856 . 1 1 79 79 GLN CG C 13 34.800 0.300 . 1 . . . . 79 GLN CG . 11302 1 857 . 1 1 79 79 GLN N N 15 120.246 0.300 . 1 . . . . 79 GLN N . 11302 1 858 . 1 1 80 80 LEU H H 1 7.248 0.030 . 1 . . . . 80 LEU H . 11302 1 859 . 1 1 80 80 LEU HA H 1 4.384 0.030 . 1 . . . . 80 LEU HA . 11302 1 860 . 1 1 80 80 LEU HB2 H 1 2.175 0.030 . 2 . . . . 80 LEU HB2 . 11302 1 861 . 1 1 80 80 LEU HB3 H 1 1.648 0.030 . 2 . . . . 80 LEU HB3 . 11302 1 862 . 1 1 80 80 LEU HD11 H 1 1.063 0.030 . 1 . . . . 80 LEU HD1 . 11302 1 863 . 1 1 80 80 LEU HD12 H 1 1.063 0.030 . 1 . . . . 80 LEU HD1 . 11302 1 864 . 1 1 80 80 LEU HD13 H 1 1.063 0.030 . 1 . . . . 80 LEU HD1 . 11302 1 865 . 1 1 80 80 LEU HD21 H 1 1.069 0.030 . 1 . . . . 80 LEU HD2 . 11302 1 866 . 1 1 80 80 LEU HD22 H 1 1.069 0.030 . 1 . . . . 80 LEU HD2 . 11302 1 867 . 1 1 80 80 LEU HD23 H 1 1.069 0.030 . 1 . . . . 80 LEU HD2 . 11302 1 868 . 1 1 80 80 LEU HG H 1 1.758 0.030 . 1 . . . . 80 LEU HG . 11302 1 869 . 1 1 80 80 LEU C C 13 177.759 0.300 . 1 . . . . 80 LEU C . 11302 1 870 . 1 1 80 80 LEU CA C 13 58.299 0.300 . 1 . . . . 80 LEU CA . 11302 1 871 . 1 1 80 80 LEU CB C 13 40.239 0.300 . 1 . . . . 80 LEU CB . 11302 1 872 . 1 1 80 80 LEU CD1 C 13 22.808 0.300 . 2 . . . . 80 LEU CD1 . 11302 1 873 . 1 1 80 80 LEU CD2 C 13 25.875 0.300 . 2 . . . . 80 LEU CD2 . 11302 1 874 . 1 1 80 80 LEU CG C 13 27.303 0.300 . 1 . . . . 80 LEU CG . 11302 1 875 . 1 1 80 80 LEU N N 15 121.556 0.300 . 1 . . . . 80 LEU N . 11302 1 876 . 1 1 81 81 THR H H 1 8.215 0.030 . 1 . . . . 81 THR H . 11302 1 877 . 1 1 81 81 THR HA H 1 3.799 0.030 . 1 . . . . 81 THR HA . 11302 1 878 . 1 1 81 81 THR HB H 1 4.311 0.030 . 1 . . . . 81 THR HB . 11302 1 879 . 1 1 81 81 THR HG21 H 1 1.216 0.030 . 1 . . . . 81 THR HG2 . 11302 1 880 . 1 1 81 81 THR HG22 H 1 1.216 0.030 . 1 . . . . 81 THR HG2 . 11302 1 881 . 1 1 81 81 THR HG23 H 1 1.216 0.030 . 1 . . . . 81 THR HG2 . 11302 1 882 . 1 1 81 81 THR C C 13 176.671 0.300 . 1 . . . . 81 THR C . 11302 1 883 . 1 1 81 81 THR CA C 13 67.555 0.300 . 1 . . . . 81 THR CA . 11302 1 884 . 1 1 81 81 THR CB C 13 68.584 0.300 . 1 . . . . 81 THR CB . 11302 1 885 . 1 1 81 81 THR CG2 C 13 21.984 0.300 . 1 . . . . 81 THR CG2 . 11302 1 886 . 1 1 81 81 THR N N 15 116.563 0.300 . 1 . . . . 81 THR N . 11302 1 887 . 1 1 82 82 VAL H H 1 7.466 0.030 . 1 . . . . 82 VAL H . 11302 1 888 . 1 1 82 82 VAL HA H 1 3.513 0.030 . 1 . . . . 82 VAL HA . 11302 1 889 . 1 1 82 82 VAL HB H 1 2.080 0.030 . 1 . . . . 82 VAL HB . 11302 1 890 . 1 1 82 82 VAL HG11 H 1 0.913 0.030 . 1 . . . . 82 VAL HG1 . 11302 1 891 . 1 1 82 82 VAL HG12 H 1 0.913 0.030 . 1 . . . . 82 VAL HG1 . 11302 1 892 . 1 1 82 82 VAL HG13 H 1 0.913 0.030 . 1 . . . . 82 VAL HG1 . 11302 1 893 . 1 1 82 82 VAL HG21 H 1 1.044 0.030 . 1 . . . . 82 VAL HG2 . 11302 1 894 . 1 1 82 82 VAL HG22 H 1 1.044 0.030 . 1 . . . . 82 VAL HG2 . 11302 1 895 . 1 1 82 82 VAL HG23 H 1 1.044 0.030 . 1 . . . . 82 VAL HG2 . 11302 1 896 . 1 1 82 82 VAL C C 13 178.933 0.300 . 1 . . . . 82 VAL C . 11302 1 897 . 1 1 82 82 VAL CA C 13 66.771 0.300 . 1 . . . . 82 VAL CA . 11302 1 898 . 1 1 82 82 VAL CB C 13 31.938 0.300 . 1 . . . . 82 VAL CB . 11302 1 899 . 1 1 82 82 VAL CG1 C 13 21.125 0.300 . 2 . . . . 82 VAL CG1 . 11302 1 900 . 1 1 82 82 VAL CG2 C 13 22.545 0.300 . 2 . . . . 82 VAL CG2 . 11302 1 901 . 1 1 82 82 VAL N N 15 120.407 0.300 . 1 . . . . 82 VAL N . 11302 1 902 . 1 1 83 83 HIS H H 1 8.111 0.030 . 1 . . . . 83 HIS H . 11302 1 903 . 1 1 83 83 HIS HA H 1 3.918 0.030 . 1 . . . . 83 HIS HA . 11302 1 904 . 1 1 83 83 HIS HB2 H 1 3.286 0.030 . 2 . . . . 83 HIS HB2 . 11302 1 905 . 1 1 83 83 HIS HB3 H 1 2.531 0.030 . 2 . . . . 83 HIS HB3 . 11302 1 906 . 1 1 83 83 HIS HD2 H 1 6.692 0.030 . 1 . . . . 83 HIS HD2 . 11302 1 907 . 1 1 83 83 HIS HE1 H 1 7.447 0.030 . 1 . . . . 83 HIS HE1 . 11302 1 908 . 1 1 83 83 HIS C C 13 178.097 0.300 . 1 . . . . 83 HIS C . 11302 1 909 . 1 1 83 83 HIS CA C 13 59.883 0.300 . 1 . . . . 83 HIS CA . 11302 1 910 . 1 1 83 83 HIS CB C 13 27.789 0.300 . 1 . . . . 83 HIS CB . 11302 1 911 . 1 1 83 83 HIS CD2 C 13 126.094 0.300 . 1 . . . . 83 HIS CD2 . 11302 1 912 . 1 1 83 83 HIS CE1 C 13 138.791 0.300 . 1 . . . . 83 HIS CE1 . 11302 1 913 . 1 1 83 83 HIS N N 15 121.175 0.300 . 1 . . . . 83 HIS N . 11302 1 914 . 1 1 84 84 LEU H H 1 8.797 0.030 . 1 . . . . 84 LEU H . 11302 1 915 . 1 1 84 84 LEU HA H 1 3.822 0.030 . 1 . . . . 84 LEU HA . 11302 1 916 . 1 1 84 84 LEU HB2 H 1 1.977 0.030 . 2 . . . . 84 LEU HB2 . 11302 1 917 . 1 1 84 84 LEU HB3 H 1 1.618 0.030 . 2 . . . . 84 LEU HB3 . 11302 1 918 . 1 1 84 84 LEU HD11 H 1 1.055 0.030 . 1 . . . . 84 LEU HD1 . 11302 1 919 . 1 1 84 84 LEU HD12 H 1 1.055 0.030 . 1 . . . . 84 LEU HD1 . 11302 1 920 . 1 1 84 84 LEU HD13 H 1 1.055 0.030 . 1 . . . . 84 LEU HD1 . 11302 1 921 . 1 1 84 84 LEU HD21 H 1 1.274 0.030 . 1 . . . . 84 LEU HD2 . 11302 1 922 . 1 1 84 84 LEU HD22 H 1 1.274 0.030 . 1 . . . . 84 LEU HD2 . 11302 1 923 . 1 1 84 84 LEU HD23 H 1 1.274 0.030 . 1 . . . . 84 LEU HD2 . 11302 1 924 . 1 1 84 84 LEU HG H 1 2.061 0.030 . 1 . . . . 84 LEU HG . 11302 1 925 . 1 1 84 84 LEU C C 13 179.320 0.300 . 1 . . . . 84 LEU C . 11302 1 926 . 1 1 84 84 LEU CA C 13 58.370 0.300 . 1 . . . . 84 LEU CA . 11302 1 927 . 1 1 84 84 LEU CB C 13 41.697 0.300 . 1 . . . . 84 LEU CB . 11302 1 928 . 1 1 84 84 LEU CD1 C 13 25.584 0.300 . 2 . . . . 84 LEU CD1 . 11302 1 929 . 1 1 84 84 LEU CD2 C 13 24.654 0.300 . 2 . . . . 84 LEU CD2 . 11302 1 930 . 1 1 84 84 LEU CG C 13 27.099 0.300 . 1 . . . . 84 LEU CG . 11302 1 931 . 1 1 84 84 LEU N N 15 120.339 0.300 . 1 . . . . 84 LEU N . 11302 1 932 . 1 1 85 85 ARG H H 1 7.325 0.030 . 1 . . . . 85 ARG H . 11302 1 933 . 1 1 85 85 ARG HA H 1 4.136 0.030 . 1 . . . . 85 ARG HA . 11302 1 934 . 1 1 85 85 ARG HB2 H 1 1.928 0.030 . 2 . . . . 85 ARG HB2 . 11302 1 935 . 1 1 85 85 ARG HB3 H 1 1.850 0.030 . 2 . . . . 85 ARG HB3 . 11302 1 936 . 1 1 85 85 ARG HD2 H 1 3.189 0.030 . 1 . . . . 85 ARG HD2 . 11302 1 937 . 1 1 85 85 ARG HD3 H 1 3.189 0.030 . 1 . . . . 85 ARG HD3 . 11302 1 938 . 1 1 85 85 ARG HG2 H 1 1.882 0.030 . 2 . . . . 85 ARG HG2 . 11302 1 939 . 1 1 85 85 ARG HG3 H 1 1.672 0.030 . 2 . . . . 85 ARG HG3 . 11302 1 940 . 1 1 85 85 ARG C C 13 178.169 0.300 . 1 . . . . 85 ARG C . 11302 1 941 . 1 1 85 85 ARG CA C 13 58.478 0.300 . 1 . . . . 85 ARG CA . 11302 1 942 . 1 1 85 85 ARG CB C 13 29.759 0.300 . 1 . . . . 85 ARG CB . 11302 1 943 . 1 1 85 85 ARG CD C 13 43.781 0.300 . 1 . . . . 85 ARG CD . 11302 1 944 . 1 1 85 85 ARG CG C 13 27.798 0.300 . 1 . . . . 85 ARG CG . 11302 1 945 . 1 1 85 85 ARG N N 15 117.572 0.300 . 1 . . . . 85 ARG N . 11302 1 946 . 1 1 86 86 SER H H 1 7.871 0.030 . 1 . . . . 86 SER H . 11302 1 947 . 1 1 86 86 SER HA H 1 4.158 0.030 . 1 . . . . 86 SER HA . 11302 1 948 . 1 1 86 86 SER HB2 H 1 3.677 0.030 . 2 . . . . 86 SER HB2 . 11302 1 949 . 1 1 86 86 SER HB3 H 1 3.605 0.030 . 2 . . . . 86 SER HB3 . 11302 1 950 . 1 1 86 86 SER C C 13 174.849 0.300 . 1 . . . . 86 SER C . 11302 1 951 . 1 1 86 86 SER CA C 13 60.465 0.300 . 1 . . . . 86 SER CA . 11302 1 952 . 1 1 86 86 SER CB C 13 63.031 0.300 . 1 . . . . 86 SER CB . 11302 1 953 . 1 1 86 86 SER N N 15 114.279 0.300 . 1 . . . . 86 SER N . 11302 1 954 . 1 1 87 87 HIS H H 1 7.242 0.030 . 1 . . . . 87 HIS H . 11302 1 955 . 1 1 87 87 HIS HA H 1 4.898 0.030 . 1 . . . . 87 HIS HA . 11302 1 956 . 1 1 87 87 HIS HB2 H 1 3.297 0.030 . 2 . . . . 87 HIS HB2 . 11302 1 957 . 1 1 87 87 HIS HB3 H 1 3.121 0.030 . 2 . . . . 87 HIS HB3 . 11302 1 958 . 1 1 87 87 HIS HD2 H 1 6.567 0.030 . 1 . . . . 87 HIS HD2 . 11302 1 959 . 1 1 87 87 HIS HE1 H 1 7.937 0.030 . 1 . . . . 87 HIS HE1 . 11302 1 960 . 1 1 87 87 HIS C C 13 175.376 0.300 . 1 . . . . 87 HIS C . 11302 1 961 . 1 1 87 87 HIS CA C 13 55.472 0.300 . 1 . . . . 87 HIS CA . 11302 1 962 . 1 1 87 87 HIS CB C 13 29.005 0.300 . 1 . . . . 87 HIS CB . 11302 1 963 . 1 1 87 87 HIS CD2 C 13 127.106 0.300 . 1 . . . . 87 HIS CD2 . 11302 1 964 . 1 1 87 87 HIS CE1 C 13 139.805 0.300 . 1 . . . . 87 HIS CE1 . 11302 1 965 . 1 1 87 87 HIS N N 15 119.103 0.300 . 1 . . . . 87 HIS N . 11302 1 966 . 1 1 88 88 THR H H 1 7.781 0.030 . 1 . . . . 88 THR H . 11302 1 967 . 1 1 88 88 THR HA H 1 4.356 0.030 . 1 . . . . 88 THR HA . 11302 1 968 . 1 1 88 88 THR HB H 1 4.298 0.030 . 1 . . . . 88 THR HB . 11302 1 969 . 1 1 88 88 THR HG21 H 1 1.227 0.030 . 1 . . . . 88 THR HG2 . 11302 1 970 . 1 1 88 88 THR HG22 H 1 1.227 0.030 . 1 . . . . 88 THR HG2 . 11302 1 971 . 1 1 88 88 THR HG23 H 1 1.227 0.030 . 1 . . . . 88 THR HG2 . 11302 1 972 . 1 1 88 88 THR C C 13 175.270 0.300 . 1 . . . . 88 THR C . 11302 1 973 . 1 1 88 88 THR CA C 13 62.376 0.300 . 1 . . . . 88 THR CA . 11302 1 974 . 1 1 88 88 THR CB C 13 69.875 0.300 . 1 . . . . 88 THR CB . 11302 1 975 . 1 1 88 88 THR CG2 C 13 21.528 0.300 . 1 . . . . 88 THR CG2 . 11302 1 976 . 1 1 88 88 THR N N 15 112.521 0.300 . 1 . . . . 88 THR N . 11302 1 977 . 1 1 89 89 GLY H H 1 8.351 0.030 . 1 . . . . 89 GLY H . 11302 1 978 . 1 1 89 89 GLY HA2 H 1 3.987 0.030 . 1 . . . . 89 GLY HA2 . 11302 1 979 . 1 1 89 89 GLY HA3 H 1 3.987 0.030 . 1 . . . . 89 GLY HA3 . 11302 1 980 . 1 1 89 89 GLY C C 13 174.043 0.300 . 1 . . . . 89 GLY C . 11302 1 981 . 1 1 89 89 GLY CA C 13 45.447 0.300 . 1 . . . . 89 GLY CA . 11302 1 982 . 1 1 89 89 GLY N N 15 110.896 0.300 . 1 . . . . 89 GLY N . 11302 1 983 . 1 1 90 90 ASP H H 1 8.207 0.030 . 1 . . . . 90 ASP H . 11302 1 984 . 1 1 90 90 ASP HA H 1 4.652 0.030 . 1 . . . . 90 ASP HA . 11302 1 985 . 1 1 90 90 ASP HB2 H 1 2.701 0.030 . 2 . . . . 90 ASP HB2 . 11302 1 986 . 1 1 90 90 ASP HB3 H 1 2.622 0.030 . 2 . . . . 90 ASP HB3 . 11302 1 987 . 1 1 90 90 ASP C C 13 176.362 0.300 . 1 . . . . 90 ASP C . 11302 1 988 . 1 1 90 90 ASP CA C 13 54.421 0.300 . 1 . . . . 90 ASP CA . 11302 1 989 . 1 1 90 90 ASP CB C 13 41.398 0.300 . 1 . . . . 90 ASP CB . 11302 1 990 . 1 1 90 90 ASP N N 15 120.727 0.300 . 1 . . . . 90 ASP N . 11302 1 991 . 1 1 91 91 SER H H 1 8.333 0.030 . 1 . . . . 91 SER H . 11302 1 992 . 1 1 91 91 SER C C 13 174.710 0.300 . 1 . . . . 91 SER C . 11302 1 993 . 1 1 91 91 SER CA C 13 58.414 0.300 . 1 . . . . 91 SER CA . 11302 1 994 . 1 1 91 91 SER CB C 13 63.938 0.300 . 1 . . . . 91 SER CB . 11302 1 995 . 1 1 91 91 SER N N 15 116.183 0.300 . 1 . . . . 91 SER N . 11302 1 996 . 1 1 92 92 GLY HA2 H 1 4.102 0.030 . 1 . . . . 92 GLY HA2 . 11302 1 997 . 1 1 92 92 GLY HA3 H 1 4.102 0.030 . 1 . . . . 92 GLY HA3 . 11302 1 998 . 1 1 92 92 GLY CA C 13 44.661 0.300 . 1 . . . . 92 GLY CA . 11302 1 999 . 1 1 93 93 PRO HA H 1 4.472 0.030 . 1 . . . . 93 PRO HA . 11302 1 1000 . 1 1 93 93 PRO HB2 H 1 2.283 0.030 . 2 . . . . 93 PRO HB2 . 11302 1 1001 . 1 1 93 93 PRO HB3 H 1 1.973 0.030 . 2 . . . . 93 PRO HB3 . 11302 1 1002 . 1 1 93 93 PRO HD2 H 1 3.618 0.030 . 1 . . . . 93 PRO HD2 . 11302 1 1003 . 1 1 93 93 PRO HD3 H 1 3.618 0.030 . 1 . . . . 93 PRO HD3 . 11302 1 1004 . 1 1 93 93 PRO HG2 H 1 2.007 0.030 . 1 . . . . 93 PRO HG2 . 11302 1 1005 . 1 1 93 93 PRO HG3 H 1 2.007 0.030 . 1 . . . . 93 PRO HG3 . 11302 1 1006 . 1 1 93 93 PRO CA C 13 63.211 0.300 . 1 . . . . 93 PRO CA . 11302 1 1007 . 1 1 93 93 PRO CB C 13 32.174 0.300 . 1 . . . . 93 PRO CB . 11302 1 1008 . 1 1 93 93 PRO CD C 13 49.805 0.300 . 1 . . . . 93 PRO CD . 11302 1 1009 . 1 1 93 93 PRO CG C 13 27.228 0.300 . 1 . . . . 93 PRO CG . 11302 1 stop_ save_