data_11327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11327 _Entry.Title ; Solution structure of the B-box domain of the human tripartite motif-containing 63 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _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 K. Miyamoto . . . 11327 2 T. Kigawa . . . 11327 3 T. Tomizawa . . . 11327 4 S. Koshiba . . . 11327 5 M. Inoue . . . 11327 6 S. Yokoyama . . . 11327 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)' . 11327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 11327 '15N chemical shifts' 54 11327 '1H chemical shifts' 377 11327 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 2010-08-10 original author . 11327 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8U 'BMRB Entry Tracking System' 11327 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11327 _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 B-box domain of the human tripartite motif-containing 63 protein ; _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 K. Miyamoto . . . 11327 1 2 T. Kigawa . . . 11327 1 3 T. Tomizawa . . . 11327 1 4 S. Koshiba . . . 11327 1 5 M. Inoue . . . 11327 1 6 S. Yokoyama . . . 11327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11327 _Assembly.ID 1 _Assembly.Name 'Ubiquitin ligase TRIM63' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 E.C.6.3.2.- _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 'zf-B box' 1 $entity_1 A . yes native no no . . . 11327 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11327 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11327 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 'zf-B box' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11327 1 2 coordination single . 1 'zf-B box' 1 HIS 14 14 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 14 HIS ND1 . . . . ZN 11327 1 3 coordination single . 1 'zf-B box' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11327 1 4 coordination single . 1 'zf-B box' 1 CYS 34 34 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11327 1 5 coordination single . 1 'zf-B box' 1 CYS 23 23 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 23 CYS SG . . . . ZN 11327 1 6 coordination single . 1 'zf-B box' 1 CYS 26 26 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 26 CYS SG . . . . ZN 11327 1 7 coordination single . 1 'zf-B box' 1 HIS 40 40 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 40 HIS ND1 . . . . ZN 11327 1 8 coordination single . 1 'zf-B box' 1 CYS 43 43 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 11327 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 40 40 HD1 . 40 HIS HD1 11327 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 11327 1 . . 1 1 CYS 23 23 HG . 23 CYS HG 11327 1 . . 1 1 CYS 26 26 HG . 26 CYS HG 11327 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11327 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11327 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11327 1 . . 1 1 HIS 14 14 HD1 . 14 HIS HD1 11327 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 2d8u . . . . . . 11327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-B box' _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 ; GSSGSSGHPMCKEHEDEKIN IYCLTCEVPTCSMCKVFGIH KACEVAPLQSVFQGQKTESG PSSG ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 2D8U . "Solution Structure Of The B-Box Domain Of The Human Tripartite Motif-Containing 63 Protein" . . . . . 100.00 64 100.00 100.00 2.38e-37 . . . . 11327 1 2 no DBJ BAB71318 . "unnamed protein product [Homo sapiens]" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 3 no DBJ BAG60157 . "unnamed protein product [Homo sapiens]" . . . . . 62.50 325 97.50 100.00 2.32e-18 . . . . 11327 1 4 no EMBL CAC33173 . "ring finger protein 28 [Homo sapiens]" . . . . . 79.69 340 100.00 100.00 7.92e-28 . . . . 11327 1 5 no EMBL CAC81706 . "muscle specific RING finger 2 (MURF2) [Homo sapiens]" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 6 no GB AAH80529 . "Tripartite motif-containing 63 [Homo sapiens]" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 7 no GB AAI12722 . "Tripartite motif-containing 63 [Bos taurus]" . . . . . 79.69 355 98.04 98.04 8.93e-27 . . . . 11327 1 8 no GB AAK39519 . "iris ring finger protein [Homo sapiens]" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 9 no GB AAP36037 . "ring finger protein 28 [Homo sapiens]" . . . . . 81.25 346 98.08 98.08 5.20e-28 . . . . 11327 1 10 no GB AAP36890 . "Homo sapiens ring finger protein 28 [synthetic construct]" . . . . . 81.25 347 98.08 98.08 4.84e-28 . . . . 11327 1 11 no REF NP_001039760 . "E3 ubiquitin-protein ligase TRIM63 [Bos taurus]" . . . . . 79.69 355 98.04 98.04 8.93e-27 . . . . 11327 1 12 no REF NP_001171685 . "E3 ubiquitin-protein ligase TRIM63 [Sus scrofa]" . . . . . 79.69 354 98.04 98.04 5.06e-27 . . . . 11327 1 13 no REF NP_115977 . "E3 ubiquitin-protein ligase TRIM63 [Homo sapiens]" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 14 no REF XP_002811293 . "PREDICTED: E3 ubiquitin-protein ligase TRIM63 isoform X1 [Pongo abelii]" . . . . . 79.69 353 100.00 100.00 1.17e-27 . . . . 11327 1 15 no REF XP_002811294 . "PREDICTED: E3 ubiquitin-protein ligase TRIM63 isoform X2 [Pongo abelii]" . . . . . 62.50 325 97.50 100.00 3.32e-18 . . . . 11327 1 16 no SP Q969Q1 . "RecName: Full=E3 ubiquitin-protein ligase TRIM63; AltName: Full=Iris RING finger protein; AltName: Full=Muscle-specific RING fi" . . . . . 79.69 353 100.00 100.00 7.41e-28 . . . . 11327 1 17 no TPG DAA32118 . "TPA: tripartite motif-containing 63 [Bos taurus]" . . . . . 79.69 355 98.04 98.04 8.93e-27 . . . . 11327 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zf-B box' . 11327 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 . 11327 1 2 . SER . 11327 1 3 . SER . 11327 1 4 . GLY . 11327 1 5 . SER . 11327 1 6 . SER . 11327 1 7 . GLY . 11327 1 8 . HIS . 11327 1 9 . PRO . 11327 1 10 . MET . 11327 1 11 . CYS . 11327 1 12 . LYS . 11327 1 13 . GLU . 11327 1 14 . HIS . 11327 1 15 . GLU . 11327 1 16 . ASP . 11327 1 17 . GLU . 11327 1 18 . LYS . 11327 1 19 . ILE . 11327 1 20 . ASN . 11327 1 21 . ILE . 11327 1 22 . TYR . 11327 1 23 . CYS . 11327 1 24 . LEU . 11327 1 25 . THR . 11327 1 26 . CYS . 11327 1 27 . GLU . 11327 1 28 . VAL . 11327 1 29 . PRO . 11327 1 30 . THR . 11327 1 31 . CYS . 11327 1 32 . SER . 11327 1 33 . MET . 11327 1 34 . CYS . 11327 1 35 . LYS . 11327 1 36 . VAL . 11327 1 37 . PHE . 11327 1 38 . GLY . 11327 1 39 . ILE . 11327 1 40 . HIS . 11327 1 41 . LYS . 11327 1 42 . ALA . 11327 1 43 . CYS . 11327 1 44 . GLU . 11327 1 45 . VAL . 11327 1 46 . ALA . 11327 1 47 . PRO . 11327 1 48 . LEU . 11327 1 49 . GLN . 11327 1 50 . SER . 11327 1 51 . VAL . 11327 1 52 . PHE . 11327 1 53 . GLN . 11327 1 54 . GLY . 11327 1 55 . GLN . 11327 1 56 . LYS . 11327 1 57 . THR . 11327 1 58 . GLU . 11327 1 59 . SER . 11327 1 60 . GLY . 11327 1 61 . PRO . 11327 1 62 . SER . 11327 1 63 . SER . 11327 1 64 . GLY . 11327 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 11327 1 . SER 2 2 11327 1 . SER 3 3 11327 1 . GLY 4 4 11327 1 . SER 5 5 11327 1 . SER 6 6 11327 1 . GLY 7 7 11327 1 . HIS 8 8 11327 1 . PRO 9 9 11327 1 . MET 10 10 11327 1 . CYS 11 11 11327 1 . LYS 12 12 11327 1 . GLU 13 13 11327 1 . HIS 14 14 11327 1 . GLU 15 15 11327 1 . ASP 16 16 11327 1 . GLU 17 17 11327 1 . LYS 18 18 11327 1 . ILE 19 19 11327 1 . ASN 20 20 11327 1 . ILE 21 21 11327 1 . TYR 22 22 11327 1 . CYS 23 23 11327 1 . LEU 24 24 11327 1 . THR 25 25 11327 1 . CYS 26 26 11327 1 . GLU 27 27 11327 1 . VAL 28 28 11327 1 . PRO 29 29 11327 1 . THR 30 30 11327 1 . CYS 31 31 11327 1 . SER 32 32 11327 1 . MET 33 33 11327 1 . CYS 34 34 11327 1 . LYS 35 35 11327 1 . VAL 36 36 11327 1 . PHE 37 37 11327 1 . GLY 38 38 11327 1 . ILE 39 39 11327 1 . HIS 40 40 11327 1 . LYS 41 41 11327 1 . ALA 42 42 11327 1 . CYS 43 43 11327 1 . GLU 44 44 11327 1 . VAL 45 45 11327 1 . ALA 46 46 11327 1 . PRO 47 47 11327 1 . LEU 48 48 11327 1 . GLN 49 49 11327 1 . SER 50 50 11327 1 . VAL 51 51 11327 1 . PHE 52 52 11327 1 . GLN 53 53 11327 1 . GLY 54 54 11327 1 . GLN 55 55 11327 1 . LYS 56 56 11327 1 . THR 57 57 11327 1 . GLU 58 58 11327 1 . SER 59 59 11327 1 . GLY 60 60 11327 1 . PRO 61 61 11327 1 . SER 62 62 11327 1 . SER 63 63 11327 1 . GLY 64 64 11327 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11327 _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 . 11327 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 11327 _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 . . . . . . . . . . . . . . . . . . . . . 11327 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 11327 _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 . . P050302-45 . . . . . . 11327 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 11327 _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 11327 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11327 ZN [Zn++] SMILES CACTVS 3.341 11327 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11327 ZN [Zn+2] SMILES ACDLabs 10.04 11327 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11327 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11327 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 11327 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11327 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 . 11327 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.09mM zf-B_box U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 zf-B_box '[U-13C; U-15N]' . . 1 $entity_1 . protein 2.09 . . mM . . . . 11327 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11327 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11327 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11327 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11327 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11327 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11327 1 8 H2O . . . . . . solvent 90 . . % . . . . 11327 1 9 D2O . . . . . . solvent 10 . . % . . . . 11327 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 11327 _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 11327 1 pH 7.0 0.05 pH 11327 1 pressure 1 0.001 atm 11327 1 temperature 296 0.1 K 11327 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11327 _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 . . 11327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11327 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11327 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11327 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11327 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11327 _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.' . . 11327 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11327 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11327 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11327 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11327 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11327 _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.' . . 11327 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11327 5 'structure solution' 11327 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 11327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11327 _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 . 700 . . . 11327 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 11327 _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 . . . . . . . . . . . . . . . . 11327 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11327 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 11327 _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 . . . . . . . . . 11327 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11327 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11327 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 11327 _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 11327 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11327 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 . . 11327 1 2 $NMRPipe . . 11327 1 3 $NMRView . . 11327 1 4 $Kujira . . 11327 1 5 $CYANA . . 11327 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 7 7 GLY HA2 H 1 3.921 0.030 . 1 . . . . 7 GLY HA2 . 11327 1 2 . 1 1 7 7 GLY HA3 H 1 3.921 0.030 . 1 . . . . 7 GLY HA3 . 11327 1 3 . 1 1 7 7 GLY C C 13 173.480 0.300 . 1 . . . . 7 GLY C . 11327 1 4 . 1 1 7 7 GLY CA C 13 45.064 0.300 . 1 . . . . 7 GLY CA . 11327 1 5 . 1 1 8 8 HIS H H 1 8.125 0.030 . 1 . . . . 8 HIS H . 11327 1 6 . 1 1 8 8 HIS HA H 1 4.805 0.030 . 1 . . . . 8 HIS HA . 11327 1 7 . 1 1 8 8 HIS HB2 H 1 2.995 0.030 . 2 . . . . 8 HIS HB2 . 11327 1 8 . 1 1 8 8 HIS HB3 H 1 3.100 0.030 . 2 . . . . 8 HIS HB3 . 11327 1 9 . 1 1 8 8 HIS HD2 H 1 7.188 0.030 . 1 . . . . 8 HIS HD2 . 11327 1 10 . 1 1 8 8 HIS HE1 H 1 7.954 0.030 . 1 . . . . 8 HIS HE1 . 11327 1 11 . 1 1 8 8 HIS C C 13 173.586 0.300 . 1 . . . . 8 HIS C . 11327 1 12 . 1 1 8 8 HIS CA C 13 54.624 0.300 . 1 . . . . 8 HIS CA . 11327 1 13 . 1 1 8 8 HIS CB C 13 30.907 0.300 . 1 . . . . 8 HIS CB . 11327 1 14 . 1 1 8 8 HIS CD2 C 13 121.245 0.300 . 1 . . . . 8 HIS CD2 . 11327 1 15 . 1 1 8 8 HIS CE1 C 13 138.556 0.300 . 1 . . . . 8 HIS CE1 . 11327 1 16 . 1 1 8 8 HIS N N 15 121.217 0.300 . 1 . . . . 8 HIS N . 11327 1 17 . 1 1 9 9 PRO HA H 1 4.454 0.030 . 1 . . . . 9 PRO HA . 11327 1 18 . 1 1 9 9 PRO HB2 H 1 1.912 0.030 . 2 . . . . 9 PRO HB2 . 11327 1 19 . 1 1 9 9 PRO HB3 H 1 2.306 0.030 . 2 . . . . 9 PRO HB3 . 11327 1 20 . 1 1 9 9 PRO HD2 H 1 3.765 0.030 . 2 . . . . 9 PRO HD2 . 11327 1 21 . 1 1 9 9 PRO HD3 H 1 3.430 0.030 . 2 . . . . 9 PRO HD3 . 11327 1 22 . 1 1 9 9 PRO HG2 H 1 2.012 0.030 . 1 . . . . 9 PRO HG2 . 11327 1 23 . 1 1 9 9 PRO HG3 H 1 2.012 0.030 . 1 . . . . 9 PRO HG3 . 11327 1 24 . 1 1 9 9 PRO C C 13 175.926 0.300 . 1 . . . . 9 PRO C . 11327 1 25 . 1 1 9 9 PRO CA C 13 63.336 0.300 . 1 . . . . 9 PRO CA . 11327 1 26 . 1 1 9 9 PRO CB C 13 32.151 0.300 . 1 . . . . 9 PRO CB . 11327 1 27 . 1 1 9 9 PRO CD C 13 50.718 0.300 . 1 . . . . 9 PRO CD . 11327 1 28 . 1 1 9 9 PRO CG C 13 27.402 0.300 . 1 . . . . 9 PRO CG . 11327 1 29 . 1 1 10 10 MET H H 1 8.305 0.030 . 1 . . . . 10 MET H . 11327 1 30 . 1 1 10 10 MET HA H 1 5.282 0.030 . 1 . . . . 10 MET HA . 11327 1 31 . 1 1 10 10 MET HB2 H 1 1.834 0.030 . 2 . . . . 10 MET HB2 . 11327 1 32 . 1 1 10 10 MET HB3 H 1 2.111 0.030 . 2 . . . . 10 MET HB3 . 11327 1 33 . 1 1 10 10 MET HE1 H 1 1.938 0.030 . 1 . . . . 10 MET HE . 11327 1 34 . 1 1 10 10 MET HE2 H 1 1.938 0.030 . 1 . . . . 10 MET HE . 11327 1 35 . 1 1 10 10 MET HE3 H 1 1.938 0.030 . 1 . . . . 10 MET HE . 11327 1 36 . 1 1 10 10 MET HG2 H 1 2.715 0.030 . 1 . . . . 10 MET HG2 . 11327 1 37 . 1 1 10 10 MET HG3 H 1 2.715 0.030 . 1 . . . . 10 MET HG3 . 11327 1 38 . 1 1 10 10 MET C C 13 176.375 0.300 . 1 . . . . 10 MET C . 11327 1 39 . 1 1 10 10 MET CA C 13 52.581 0.300 . 1 . . . . 10 MET CA . 11327 1 40 . 1 1 10 10 MET CB C 13 32.887 0.300 . 1 . . . . 10 MET CB . 11327 1 41 . 1 1 10 10 MET CE C 13 16.674 0.300 . 1 . . . . 10 MET CE . 11327 1 42 . 1 1 10 10 MET CG C 13 32.329 0.300 . 1 . . . . 10 MET CG . 11327 1 43 . 1 1 10 10 MET N N 15 120.246 0.300 . 1 . . . . 10 MET N . 11327 1 44 . 1 1 11 11 CYS H H 1 8.760 0.030 . 1 . . . . 11 CYS H . 11327 1 45 . 1 1 11 11 CYS HA H 1 4.063 0.030 . 1 . . . . 11 CYS HA . 11327 1 46 . 1 1 11 11 CYS HB2 H 1 3.692 0.030 . 2 . . . . 11 CYS HB2 . 11327 1 47 . 1 1 11 11 CYS HB3 H 1 2.742 0.030 . 2 . . . . 11 CYS HB3 . 11327 1 48 . 1 1 11 11 CYS C C 13 176.027 0.300 . 1 . . . . 11 CYS C . 11327 1 49 . 1 1 11 11 CYS CA C 13 60.529 0.300 . 1 . . . . 11 CYS CA . 11327 1 50 . 1 1 11 11 CYS CB C 13 28.493 0.300 . 1 . . . . 11 CYS CB . 11327 1 51 . 1 1 11 11 CYS N N 15 125.140 0.300 . 1 . . . . 11 CYS N . 11327 1 52 . 1 1 12 12 LYS H H 1 8.490 0.030 . 1 . . . . 12 LYS H . 11327 1 53 . 1 1 12 12 LYS HA H 1 4.094 0.030 . 1 . . . . 12 LYS HA . 11327 1 54 . 1 1 12 12 LYS HB2 H 1 1.882 0.030 . 1 . . . . 12 LYS HB2 . 11327 1 55 . 1 1 12 12 LYS HB3 H 1 1.882 0.030 . 1 . . . . 12 LYS HB3 . 11327 1 56 . 1 1 12 12 LYS HD2 H 1 1.727 0.030 . 1 . . . . 12 LYS HD2 . 11327 1 57 . 1 1 12 12 LYS HD3 H 1 1.727 0.030 . 1 . . . . 12 LYS HD3 . 11327 1 58 . 1 1 12 12 LYS HE2 H 1 3.028 0.030 . 1 . . . . 12 LYS HE2 . 11327 1 59 . 1 1 12 12 LYS HE3 H 1 3.028 0.030 . 1 . . . . 12 LYS HE3 . 11327 1 60 . 1 1 12 12 LYS HG2 H 1 1.510 0.030 . 2 . . . . 12 LYS HG2 . 11327 1 61 . 1 1 12 12 LYS HG3 H 1 1.569 0.030 . 2 . . . . 12 LYS HG3 . 11327 1 62 . 1 1 12 12 LYS C C 13 177.514 0.300 . 1 . . . . 12 LYS C . 11327 1 63 . 1 1 12 12 LYS CA C 13 58.508 0.300 . 1 . . . . 12 LYS CA . 11327 1 64 . 1 1 12 12 LYS CB C 13 32.660 0.300 . 1 . . . . 12 LYS CB . 11327 1 65 . 1 1 12 12 LYS CD C 13 28.968 0.300 . 1 . . . . 12 LYS CD . 11327 1 66 . 1 1 12 12 LYS CE C 13 41.853 0.300 . 1 . . . . 12 LYS CE . 11327 1 67 . 1 1 12 12 LYS CG C 13 25.159 0.300 . 1 . . . . 12 LYS CG . 11327 1 68 . 1 1 12 12 LYS N N 15 127.057 0.300 . 1 . . . . 12 LYS N . 11327 1 69 . 1 1 13 13 GLU H H 1 8.942 0.030 . 1 . . . . 13 GLU H . 11327 1 70 . 1 1 13 13 GLU HA H 1 4.149 0.030 . 1 . . . . 13 GLU HA . 11327 1 71 . 1 1 13 13 GLU HB2 H 1 1.467 0.030 . 2 . . . . 13 GLU HB2 . 11327 1 72 . 1 1 13 13 GLU HB3 H 1 1.575 0.030 . 2 . . . . 13 GLU HB3 . 11327 1 73 . 1 1 13 13 GLU HG2 H 1 1.826 0.030 . 2 . . . . 13 GLU HG2 . 11327 1 74 . 1 1 13 13 GLU HG3 H 1 1.935 0.030 . 2 . . . . 13 GLU HG3 . 11327 1 75 . 1 1 13 13 GLU C C 13 176.251 0.300 . 1 . . . . 13 GLU C . 11327 1 76 . 1 1 13 13 GLU CA C 13 57.026 0.300 . 1 . . . . 13 GLU CA . 11327 1 77 . 1 1 13 13 GLU CB C 13 30.667 0.300 . 1 . . . . 13 GLU CB . 11327 1 78 . 1 1 13 13 GLU CG C 13 35.511 0.300 . 1 . . . . 13 GLU CG . 11327 1 79 . 1 1 13 13 GLU N N 15 121.302 0.300 . 1 . . . . 13 GLU N . 11327 1 80 . 1 1 14 14 HIS H H 1 8.020 0.030 . 1 . . . . 14 HIS H . 11327 1 81 . 1 1 14 14 HIS HA H 1 4.691 0.030 . 1 . . . . 14 HIS HA . 11327 1 82 . 1 1 14 14 HIS HB2 H 1 3.475 0.030 . 2 . . . . 14 HIS HB2 . 11327 1 83 . 1 1 14 14 HIS HB3 H 1 3.131 0.030 . 2 . . . . 14 HIS HB3 . 11327 1 84 . 1 1 14 14 HIS HD2 H 1 7.269 0.030 . 1 . . . . 14 HIS HD2 . 11327 1 85 . 1 1 14 14 HIS HE1 H 1 8.084 0.030 . 1 . . . . 14 HIS HE1 . 11327 1 86 . 1 1 14 14 HIS C C 13 174.329 0.300 . 1 . . . . 14 HIS C . 11327 1 87 . 1 1 14 14 HIS CA C 13 56.269 0.300 . 1 . . . . 14 HIS CA . 11327 1 88 . 1 1 14 14 HIS CB C 13 29.928 0.300 . 1 . . . . 14 HIS CB . 11327 1 89 . 1 1 14 14 HIS CD2 C 13 119.236 0.300 . 1 . . . . 14 HIS CD2 . 11327 1 90 . 1 1 14 14 HIS CE1 C 13 138.554 0.300 . 1 . . . . 14 HIS CE1 . 11327 1 91 . 1 1 14 14 HIS N N 15 122.943 0.300 . 1 . . . . 14 HIS N . 11327 1 92 . 1 1 15 15 GLU H H 1 8.127 0.030 . 1 . . . . 15 GLU H . 11327 1 93 . 1 1 15 15 GLU HA H 1 4.326 0.030 . 1 . . . . 15 GLU HA . 11327 1 94 . 1 1 15 15 GLU HB2 H 1 1.976 0.030 . 2 . . . . 15 GLU HB2 . 11327 1 95 . 1 1 15 15 GLU HB3 H 1 2.043 0.030 . 2 . . . . 15 GLU HB3 . 11327 1 96 . 1 1 15 15 GLU HG2 H 1 2.236 0.030 . 1 . . . . 15 GLU HG2 . 11327 1 97 . 1 1 15 15 GLU HG3 H 1 2.236 0.030 . 1 . . . . 15 GLU HG3 . 11327 1 98 . 1 1 15 15 GLU C C 13 176.097 0.300 . 1 . . . . 15 GLU C . 11327 1 99 . 1 1 15 15 GLU CA C 13 58.965 0.300 . 1 . . . . 15 GLU CA . 11327 1 100 . 1 1 15 15 GLU CB C 13 29.600 0.300 . 1 . . . . 15 GLU CB . 11327 1 101 . 1 1 15 15 GLU CG C 13 36.377 0.300 . 1 . . . . 15 GLU CG . 11327 1 102 . 1 1 15 15 GLU N N 15 118.420 0.300 . 1 . . . . 15 GLU N . 11327 1 103 . 1 1 16 16 ASP H H 1 8.585 0.030 . 1 . . . . 16 ASP H . 11327 1 104 . 1 1 16 16 ASP HA H 1 4.707 0.030 . 1 . . . . 16 ASP HA . 11327 1 105 . 1 1 16 16 ASP HB2 H 1 2.720 0.030 . 1 . . . . 16 ASP HB2 . 11327 1 106 . 1 1 16 16 ASP HB3 H 1 2.720 0.030 . 1 . . . . 16 ASP HB3 . 11327 1 107 . 1 1 16 16 ASP C C 13 175.715 0.300 . 1 . . . . 16 ASP C . 11327 1 108 . 1 1 16 16 ASP CA C 13 53.568 0.300 . 1 . . . . 16 ASP CA . 11327 1 109 . 1 1 16 16 ASP CB C 13 41.128 0.300 . 1 . . . . 16 ASP CB . 11327 1 110 . 1 1 16 16 ASP N N 15 116.218 0.300 . 1 . . . . 16 ASP N . 11327 1 111 . 1 1 17 17 GLU H H 1 8.563 0.030 . 1 . . . . 17 GLU H . 11327 1 112 . 1 1 17 17 GLU HA H 1 4.659 0.030 . 1 . . . . 17 GLU HA . 11327 1 113 . 1 1 17 17 GLU HB2 H 1 2.163 0.030 . 2 . . . . 17 GLU HB2 . 11327 1 114 . 1 1 17 17 GLU HB3 H 1 2.347 0.030 . 2 . . . . 17 GLU HB3 . 11327 1 115 . 1 1 17 17 GLU HG2 H 1 2.177 0.030 . 1 . . . . 17 GLU HG2 . 11327 1 116 . 1 1 17 17 GLU HG3 H 1 2.177 0.030 . 1 . . . . 17 GLU HG3 . 11327 1 117 . 1 1 17 17 GLU C C 13 174.731 0.300 . 1 . . . . 17 GLU C . 11327 1 118 . 1 1 17 17 GLU CA C 13 54.430 0.300 . 1 . . . . 17 GLU CA . 11327 1 119 . 1 1 17 17 GLU CB C 13 31.833 0.300 . 1 . . . . 17 GLU CB . 11327 1 120 . 1 1 17 17 GLU CG C 13 34.721 0.300 . 1 . . . . 17 GLU CG . 11327 1 121 . 1 1 17 17 GLU N N 15 123.096 0.300 . 1 . . . . 17 GLU N . 11327 1 122 . 1 1 18 18 LYS H H 1 8.414 0.030 . 1 . . . . 18 LYS H . 11327 1 123 . 1 1 18 18 LYS HA H 1 4.759 0.030 . 1 . . . . 18 LYS HA . 11327 1 124 . 1 1 18 18 LYS HB2 H 1 1.680 0.030 . 2 . . . . 18 LYS HB2 . 11327 1 125 . 1 1 18 18 LYS HB3 H 1 1.610 0.030 . 2 . . . . 18 LYS HB3 . 11327 1 126 . 1 1 18 18 LYS HD2 H 1 1.470 0.030 . 1 . . . . 18 LYS HD2 . 11327 1 127 . 1 1 18 18 LYS HD3 H 1 1.470 0.030 . 1 . . . . 18 LYS HD3 . 11327 1 128 . 1 1 18 18 LYS HE2 H 1 2.844 0.030 . 1 . . . . 18 LYS HE2 . 11327 1 129 . 1 1 18 18 LYS HE3 H 1 2.844 0.030 . 1 . . . . 18 LYS HE3 . 11327 1 130 . 1 1 18 18 LYS HG2 H 1 1.509 0.030 . 2 . . . . 18 LYS HG2 . 11327 1 131 . 1 1 18 18 LYS HG3 H 1 1.568 0.030 . 2 . . . . 18 LYS HG3 . 11327 1 132 . 1 1 18 18 LYS C C 13 176.878 0.300 . 1 . . . . 18 LYS C . 11327 1 133 . 1 1 18 18 LYS CA C 13 56.513 0.300 . 1 . . . . 18 LYS CA . 11327 1 134 . 1 1 18 18 LYS CB C 13 33.691 0.300 . 1 . . . . 18 LYS CB . 11327 1 135 . 1 1 18 18 LYS CD C 13 29.397 0.300 . 1 . . . . 18 LYS CD . 11327 1 136 . 1 1 18 18 LYS CE C 13 41.796 0.300 . 1 . . . . 18 LYS CE . 11327 1 137 . 1 1 18 18 LYS CG C 13 25.229 0.300 . 1 . . . . 18 LYS CG . 11327 1 138 . 1 1 18 18 LYS N N 15 124.241 0.300 . 1 . . . . 18 LYS N . 11327 1 139 . 1 1 19 19 ILE H H 1 7.920 0.030 . 1 . . . . 19 ILE H . 11327 1 140 . 1 1 19 19 ILE HA H 1 3.867 0.030 . 1 . . . . 19 ILE HA . 11327 1 141 . 1 1 19 19 ILE HB H 1 1.891 0.030 . 1 . . . . 19 ILE HB . 11327 1 142 . 1 1 19 19 ILE HD11 H 1 0.712 0.030 . 1 . . . . 19 ILE HD1 . 11327 1 143 . 1 1 19 19 ILE HD12 H 1 0.712 0.030 . 1 . . . . 19 ILE HD1 . 11327 1 144 . 1 1 19 19 ILE HD13 H 1 0.712 0.030 . 1 . . . . 19 ILE HD1 . 11327 1 145 . 1 1 19 19 ILE HG12 H 1 1.098 0.030 . 2 . . . . 19 ILE HG12 . 11327 1 146 . 1 1 19 19 ILE HG13 H 1 1.389 0.030 . 2 . . . . 19 ILE HG13 . 11327 1 147 . 1 1 19 19 ILE HG21 H 1 0.984 0.030 . 1 . . . . 19 ILE HG2 . 11327 1 148 . 1 1 19 19 ILE HG22 H 1 0.984 0.030 . 1 . . . . 19 ILE HG2 . 11327 1 149 . 1 1 19 19 ILE HG23 H 1 0.984 0.030 . 1 . . . . 19 ILE HG2 . 11327 1 150 . 1 1 19 19 ILE C C 13 176.814 0.300 . 1 . . . . 19 ILE C . 11327 1 151 . 1 1 19 19 ILE CA C 13 60.444 0.300 . 1 . . . . 19 ILE CA . 11327 1 152 . 1 1 19 19 ILE CB C 13 35.626 0.300 . 1 . . . . 19 ILE CB . 11327 1 153 . 1 1 19 19 ILE CD1 C 13 10.655 0.300 . 1 . . . . 19 ILE CD1 . 11327 1 154 . 1 1 19 19 ILE CG1 C 13 26.933 0.300 . 1 . . . . 19 ILE CG1 . 11327 1 155 . 1 1 19 19 ILE CG2 C 13 17.560 0.300 . 1 . . . . 19 ILE CG2 . 11327 1 156 . 1 1 19 19 ILE N N 15 119.821 0.300 . 1 . . . . 19 ILE N . 11327 1 157 . 1 1 20 20 ASN H H 1 8.158 0.030 . 1 . . . . 20 ASN H . 11327 1 158 . 1 1 20 20 ASN HA H 1 4.790 0.030 . 1 . . . . 20 ASN HA . 11327 1 159 . 1 1 20 20 ASN HB2 H 1 2.634 0.030 . 2 . . . . 20 ASN HB2 . 11327 1 160 . 1 1 20 20 ASN HB3 H 1 3.181 0.030 . 2 . . . . 20 ASN HB3 . 11327 1 161 . 1 1 20 20 ASN HD21 H 1 7.530 0.030 . 2 . . . . 20 ASN HD21 . 11327 1 162 . 1 1 20 20 ASN HD22 H 1 6.935 0.030 . 2 . . . . 20 ASN HD22 . 11327 1 163 . 1 1 20 20 ASN C C 13 175.202 0.300 . 1 . . . . 20 ASN C . 11327 1 164 . 1 1 20 20 ASN CA C 13 52.781 0.300 . 1 . . . . 20 ASN CA . 11327 1 165 . 1 1 20 20 ASN CB C 13 38.893 0.300 . 1 . . . . 20 ASN CB . 11327 1 166 . 1 1 20 20 ASN N N 15 125.795 0.300 . 1 . . . . 20 ASN N . 11327 1 167 . 1 1 21 21 ILE H H 1 8.540 0.030 . 1 . . . . 21 ILE H . 11327 1 168 . 1 1 21 21 ILE HA H 1 4.904 0.030 . 1 . . . . 21 ILE HA . 11327 1 169 . 1 1 21 21 ILE HB H 1 1.774 0.030 . 1 . . . . 21 ILE HB . 11327 1 170 . 1 1 21 21 ILE HD11 H 1 0.527 0.030 . 1 . . . . 21 ILE HD1 . 11327 1 171 . 1 1 21 21 ILE HD12 H 1 0.527 0.030 . 1 . . . . 21 ILE HD1 . 11327 1 172 . 1 1 21 21 ILE HD13 H 1 0.527 0.030 . 1 . . . . 21 ILE HD1 . 11327 1 173 . 1 1 21 21 ILE HG12 H 1 0.946 0.030 . 1 . . . . 21 ILE HG12 . 11327 1 174 . 1 1 21 21 ILE HG13 H 1 0.946 0.030 . 1 . . . . 21 ILE HG13 . 11327 1 175 . 1 1 21 21 ILE HG21 H 1 0.900 0.030 . 1 . . . . 21 ILE HG2 . 11327 1 176 . 1 1 21 21 ILE HG22 H 1 0.900 0.030 . 1 . . . . 21 ILE HG2 . 11327 1 177 . 1 1 21 21 ILE HG23 H 1 0.900 0.030 . 1 . . . . 21 ILE HG2 . 11327 1 178 . 1 1 21 21 ILE C C 13 172.360 0.300 . 1 . . . . 21 ILE C . 11327 1 179 . 1 1 21 21 ILE CA C 13 59.674 0.300 . 1 . . . . 21 ILE CA . 11327 1 180 . 1 1 21 21 ILE CB C 13 43.331 0.300 . 1 . . . . 21 ILE CB . 11327 1 181 . 1 1 21 21 ILE CD1 C 13 14.415 0.300 . 1 . . . . 21 ILE CD1 . 11327 1 182 . 1 1 21 21 ILE CG1 C 13 26.412 0.300 . 1 . . . . 21 ILE CG1 . 11327 1 183 . 1 1 21 21 ILE CG2 C 13 19.284 0.300 . 1 . . . . 21 ILE CG2 . 11327 1 184 . 1 1 21 21 ILE N N 15 117.108 0.300 . 1 . . . . 21 ILE N . 11327 1 185 . 1 1 22 22 TYR H H 1 9.498 0.030 . 1 . . . . 22 TYR H . 11327 1 186 . 1 1 22 22 TYR HA H 1 4.642 0.030 . 1 . . . . 22 TYR HA . 11327 1 187 . 1 1 22 22 TYR HB2 H 1 2.576 0.030 . 2 . . . . 22 TYR HB2 . 11327 1 188 . 1 1 22 22 TYR HB3 H 1 2.681 0.030 . 2 . . . . 22 TYR HB3 . 11327 1 189 . 1 1 22 22 TYR HD1 H 1 6.576 0.030 . 1 . . . . 22 TYR HD1 . 11327 1 190 . 1 1 22 22 TYR HD2 H 1 6.576 0.030 . 1 . . . . 22 TYR HD2 . 11327 1 191 . 1 1 22 22 TYR HE1 H 1 6.600 0.030 . 1 . . . . 22 TYR HE1 . 11327 1 192 . 1 1 22 22 TYR HE2 H 1 6.600 0.030 . 1 . . . . 22 TYR HE2 . 11327 1 193 . 1 1 22 22 TYR C C 13 173.660 0.300 . 1 . . . . 22 TYR C . 11327 1 194 . 1 1 22 22 TYR CA C 13 57.148 0.300 . 1 . . . . 22 TYR CA . 11327 1 195 . 1 1 22 22 TYR CB C 13 42.468 0.300 . 1 . . . . 22 TYR CB . 11327 1 196 . 1 1 22 22 TYR CD1 C 13 132.329 0.300 . 1 . . . . 22 TYR CD1 . 11327 1 197 . 1 1 22 22 TYR CD2 C 13 132.329 0.300 . 1 . . . . 22 TYR CD2 . 11327 1 198 . 1 1 22 22 TYR CE1 C 13 117.556 0.300 . 1 . . . . 22 TYR CE1 . 11327 1 199 . 1 1 22 22 TYR CE2 C 13 117.556 0.300 . 1 . . . . 22 TYR CE2 . 11327 1 200 . 1 1 22 22 TYR N N 15 122.953 0.300 . 1 . . . . 22 TYR N . 11327 1 201 . 1 1 23 23 CYS H H 1 8.438 0.030 . 1 . . . . 23 CYS H . 11327 1 202 . 1 1 23 23 CYS HA H 1 4.523 0.030 . 1 . . . . 23 CYS HA . 11327 1 203 . 1 1 23 23 CYS HB2 H 1 2.635 0.030 . 2 . . . . 23 CYS HB2 . 11327 1 204 . 1 1 23 23 CYS HB3 H 1 1.662 0.030 . 2 . . . . 23 CYS HB3 . 11327 1 205 . 1 1 23 23 CYS C C 13 175.994 0.300 . 1 . . . . 23 CYS C . 11327 1 206 . 1 1 23 23 CYS CA C 13 59.702 0.300 . 1 . . . . 23 CYS CA . 11327 1 207 . 1 1 23 23 CYS CB C 13 28.330 0.300 . 1 . . . . 23 CYS CB . 11327 1 208 . 1 1 23 23 CYS N N 15 129.171 0.300 . 1 . . . . 23 CYS N . 11327 1 209 . 1 1 24 24 LEU H H 1 9.094 0.030 . 1 . . . . 24 LEU H . 11327 1 210 . 1 1 24 24 LEU HA H 1 4.083 0.030 . 1 . . . . 24 LEU HA . 11327 1 211 . 1 1 24 24 LEU HB2 H 1 1.693 0.030 . 2 . . . . 24 LEU HB2 . 11327 1 212 . 1 1 24 24 LEU HB3 H 1 1.566 0.030 . 2 . . . . 24 LEU HB3 . 11327 1 213 . 1 1 24 24 LEU HD11 H 1 0.976 0.030 . 1 . . . . 24 LEU HD1 . 11327 1 214 . 1 1 24 24 LEU HD12 H 1 0.976 0.030 . 1 . . . . 24 LEU HD1 . 11327 1 215 . 1 1 24 24 LEU HD13 H 1 0.976 0.030 . 1 . . . . 24 LEU HD1 . 11327 1 216 . 1 1 24 24 LEU HD21 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11327 1 217 . 1 1 24 24 LEU HD22 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11327 1 218 . 1 1 24 24 LEU HD23 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11327 1 219 . 1 1 24 24 LEU HG H 1 1.697 0.030 . 1 . . . . 24 LEU HG . 11327 1 220 . 1 1 24 24 LEU C C 13 178.463 0.300 . 1 . . . . 24 LEU C . 11327 1 221 . 1 1 24 24 LEU CA C 13 57.242 0.300 . 1 . . . . 24 LEU CA . 11327 1 222 . 1 1 24 24 LEU CB C 13 42.035 0.300 . 1 . . . . 24 LEU CB . 11327 1 223 . 1 1 24 24 LEU CD1 C 13 23.539 0.300 . 2 . . . . 24 LEU CD1 . 11327 1 224 . 1 1 24 24 LEU CD2 C 13 26.002 0.300 . 2 . . . . 24 LEU CD2 . 11327 1 225 . 1 1 24 24 LEU CG C 13 27.842 0.300 . 1 . . . . 24 LEU CG . 11327 1 226 . 1 1 24 24 LEU N N 15 130.074 0.300 . 1 . . . . 24 LEU N . 11327 1 227 . 1 1 25 25 THR H H 1 8.285 0.030 . 1 . . . . 25 THR H . 11327 1 228 . 1 1 25 25 THR HA H 1 4.002 0.030 . 1 . . . . 25 THR HA . 11327 1 229 . 1 1 25 25 THR HB H 1 4.339 0.030 . 1 . . . . 25 THR HB . 11327 1 230 . 1 1 25 25 THR HG21 H 1 1.402 0.030 . 1 . . . . 25 THR HG2 . 11327 1 231 . 1 1 25 25 THR HG22 H 1 1.402 0.030 . 1 . . . . 25 THR HG2 . 11327 1 232 . 1 1 25 25 THR HG23 H 1 1.402 0.030 . 1 . . . . 25 THR HG2 . 11327 1 233 . 1 1 25 25 THR C C 13 176.631 0.300 . 1 . . . . 25 THR C . 11327 1 234 . 1 1 25 25 THR CA C 13 67.168 0.300 . 1 . . . . 25 THR CA . 11327 1 235 . 1 1 25 25 THR CB C 13 70.416 0.300 . 1 . . . . 25 THR CB . 11327 1 236 . 1 1 25 25 THR CG2 C 13 23.289 0.300 . 1 . . . . 25 THR CG2 . 11327 1 237 . 1 1 25 25 THR N N 15 120.858 0.300 . 1 . . . . 25 THR N . 11327 1 238 . 1 1 26 26 CYS H H 1 10.188 0.030 . 1 . . . . 26 CYS H . 11327 1 239 . 1 1 26 26 CYS HA H 1 4.056 0.030 . 1 . . . . 26 CYS HA . 11327 1 240 . 1 1 26 26 CYS HB2 H 1 3.187 0.030 . 2 . . . . 26 CYS HB2 . 11327 1 241 . 1 1 26 26 CYS HB3 H 1 2.765 0.030 . 2 . . . . 26 CYS HB3 . 11327 1 242 . 1 1 26 26 CYS C C 13 174.807 0.300 . 1 . . . . 26 CYS C . 11327 1 243 . 1 1 26 26 CYS CA C 13 61.282 0.300 . 1 . . . . 26 CYS CA . 11327 1 244 . 1 1 26 26 CYS CB C 13 32.019 0.300 . 1 . . . . 26 CYS CB . 11327 1 245 . 1 1 26 26 CYS N N 15 124.286 0.300 . 1 . . . . 26 CYS N . 11327 1 246 . 1 1 27 27 GLU H H 1 7.770 0.030 . 1 . . . . 27 GLU H . 11327 1 247 . 1 1 27 27 GLU HA H 1 3.761 0.030 . 1 . . . . 27 GLU HA . 11327 1 248 . 1 1 27 27 GLU HB2 H 1 2.288 0.030 . 2 . . . . 27 GLU HB2 . 11327 1 249 . 1 1 27 27 GLU HB3 H 1 2.121 0.030 . 2 . . . . 27 GLU HB3 . 11327 1 250 . 1 1 27 27 GLU HG2 H 1 2.146 0.030 . 1 . . . . 27 GLU HG2 . 11327 1 251 . 1 1 27 27 GLU HG3 H 1 2.146 0.030 . 1 . . . . 27 GLU HG3 . 11327 1 252 . 1 1 27 27 GLU C C 13 175.349 0.300 . 1 . . . . 27 GLU C . 11327 1 253 . 1 1 27 27 GLU CA C 13 57.117 0.300 . 1 . . . . 27 GLU CA . 11327 1 254 . 1 1 27 27 GLU CB C 13 26.597 0.300 . 1 . . . . 27 GLU CB . 11327 1 255 . 1 1 27 27 GLU CG C 13 36.863 0.300 . 1 . . . . 27 GLU CG . 11327 1 256 . 1 1 27 27 GLU N N 15 117.453 0.300 . 1 . . . . 27 GLU N . 11327 1 257 . 1 1 28 28 VAL H H 1 6.745 0.030 . 1 . . . . 28 VAL H . 11327 1 258 . 1 1 28 28 VAL HA H 1 4.916 0.030 . 1 . . . . 28 VAL HA . 11327 1 259 . 1 1 28 28 VAL HB H 1 2.049 0.030 . 1 . . . . 28 VAL HB . 11327 1 260 . 1 1 28 28 VAL HG11 H 1 0.848 0.030 . 1 . . . . 28 VAL HG1 . 11327 1 261 . 1 1 28 28 VAL HG12 H 1 0.848 0.030 . 1 . . . . 28 VAL HG1 . 11327 1 262 . 1 1 28 28 VAL HG13 H 1 0.848 0.030 . 1 . . . . 28 VAL HG1 . 11327 1 263 . 1 1 28 28 VAL HG21 H 1 0.772 0.030 . 1 . . . . 28 VAL HG2 . 11327 1 264 . 1 1 28 28 VAL HG22 H 1 0.772 0.030 . 1 . . . . 28 VAL HG2 . 11327 1 265 . 1 1 28 28 VAL HG23 H 1 0.772 0.030 . 1 . . . . 28 VAL HG2 . 11327 1 266 . 1 1 28 28 VAL C C 13 171.982 0.300 . 1 . . . . 28 VAL C . 11327 1 267 . 1 1 28 28 VAL CA C 13 57.592 0.300 . 1 . . . . 28 VAL CA . 11327 1 268 . 1 1 28 28 VAL CB C 13 35.341 0.300 . 1 . . . . 28 VAL CB . 11327 1 269 . 1 1 28 28 VAL CG1 C 13 21.860 0.300 . 2 . . . . 28 VAL CG1 . 11327 1 270 . 1 1 28 28 VAL CG2 C 13 19.246 0.300 . 2 . . . . 28 VAL CG2 . 11327 1 271 . 1 1 28 28 VAL N N 15 111.105 0.300 . 1 . . . . 28 VAL N . 11327 1 272 . 1 1 29 29 PRO HA H 1 4.982 0.030 . 1 . . . . 29 PRO HA . 11327 1 273 . 1 1 29 29 PRO HB2 H 1 2.300 0.030 . 2 . . . . 29 PRO HB2 . 11327 1 274 . 1 1 29 29 PRO HB3 H 1 1.982 0.030 . 2 . . . . 29 PRO HB3 . 11327 1 275 . 1 1 29 29 PRO HD2 H 1 3.733 0.030 . 2 . . . . 29 PRO HD2 . 11327 1 276 . 1 1 29 29 PRO HD3 H 1 4.000 0.030 . 2 . . . . 29 PRO HD3 . 11327 1 277 . 1 1 29 29 PRO HG2 H 1 2.023 0.030 . 2 . . . . 29 PRO HG2 . 11327 1 278 . 1 1 29 29 PRO HG3 H 1 2.240 0.030 . 2 . . . . 29 PRO HG3 . 11327 1 279 . 1 1 29 29 PRO C C 13 175.889 0.300 . 1 . . . . 29 PRO C . 11327 1 280 . 1 1 29 29 PRO CA C 13 62.052 0.300 . 1 . . . . 29 PRO CA . 11327 1 281 . 1 1 29 29 PRO CB C 13 32.483 0.300 . 1 . . . . 29 PRO CB . 11327 1 282 . 1 1 29 29 PRO CD C 13 51.503 0.300 . 1 . . . . 29 PRO CD . 11327 1 283 . 1 1 29 29 PRO CG C 13 27.816 0.300 . 1 . . . . 29 PRO CG . 11327 1 284 . 1 1 30 30 THR H H 1 9.170 0.030 . 1 . . . . 30 THR H . 11327 1 285 . 1 1 30 30 THR HA H 1 4.826 0.030 . 1 . . . . 30 THR HA . 11327 1 286 . 1 1 30 30 THR HB H 1 3.830 0.030 . 1 . . . . 30 THR HB . 11327 1 287 . 1 1 30 30 THR HG21 H 1 0.487 0.030 . 1 . . . . 30 THR HG2 . 11327 1 288 . 1 1 30 30 THR HG22 H 1 0.487 0.030 . 1 . . . . 30 THR HG2 . 11327 1 289 . 1 1 30 30 THR HG23 H 1 0.487 0.030 . 1 . . . . 30 THR HG2 . 11327 1 290 . 1 1 30 30 THR C C 13 171.287 0.300 . 1 . . . . 30 THR C . 11327 1 291 . 1 1 30 30 THR CA C 13 59.825 0.300 . 1 . . . . 30 THR CA . 11327 1 292 . 1 1 30 30 THR CB C 13 68.559 0.300 . 1 . . . . 30 THR CB . 11327 1 293 . 1 1 30 30 THR CG2 C 13 17.038 0.300 . 1 . . . . 30 THR CG2 . 11327 1 294 . 1 1 30 30 THR N N 15 120.186 0.300 . 1 . . . . 30 THR N . 11327 1 295 . 1 1 31 31 CYS H H 1 8.970 0.030 . 1 . . . . 31 CYS H . 11327 1 296 . 1 1 31 31 CYS HA H 1 6.018 0.030 . 1 . . . . 31 CYS HA . 11327 1 297 . 1 1 31 31 CYS HB2 H 1 2.660 0.030 . 2 . . . . 31 CYS HB2 . 11327 1 298 . 1 1 31 31 CYS HB3 H 1 3.867 0.030 . 2 . . . . 31 CYS HB3 . 11327 1 299 . 1 1 31 31 CYS C C 13 176.973 0.300 . 1 . . . . 31 CYS C . 11327 1 300 . 1 1 31 31 CYS CA C 13 54.950 0.300 . 1 . . . . 31 CYS CA . 11327 1 301 . 1 1 31 31 CYS CB C 13 35.838 0.300 . 1 . . . . 31 CYS CB . 11327 1 302 . 1 1 31 31 CYS N N 15 121.919 0.300 . 1 . . . . 31 CYS N . 11327 1 303 . 1 1 32 32 SER H H 1 9.455 0.030 . 1 . . . . 32 SER H . 11327 1 304 . 1 1 32 32 SER HA H 1 3.503 0.030 . 1 . . . . 32 SER HA . 11327 1 305 . 1 1 32 32 SER HB2 H 1 3.768 0.030 . 2 . . . . 32 SER HB2 . 11327 1 306 . 1 1 32 32 SER HB3 H 1 3.971 0.030 . 2 . . . . 32 SER HB3 . 11327 1 307 . 1 1 32 32 SER CA C 13 62.304 0.300 . 1 . . . . 32 SER CA . 11327 1 308 . 1 1 32 32 SER CB C 13 62.304 0.300 . 1 . . . . 32 SER CB . 11327 1 309 . 1 1 32 32 SER N N 15 117.052 0.300 . 1 . . . . 32 SER N . 11327 1 310 . 1 1 33 33 MET H H 1 9.054 0.030 . 1 . . . . 33 MET H . 11327 1 311 . 1 1 33 33 MET HA H 1 4.190 0.030 . 1 . . . . 33 MET HA . 11327 1 312 . 1 1 33 33 MET HB2 H 1 1.251 0.030 . 2 . . . . 33 MET HB2 . 11327 1 313 . 1 1 33 33 MET HB3 H 1 0.853 0.030 . 2 . . . . 33 MET HB3 . 11327 1 314 . 1 1 33 33 MET HE1 H 1 2.085 0.030 . 1 . . . . 33 MET HE . 11327 1 315 . 1 1 33 33 MET HE2 H 1 2.085 0.030 . 1 . . . . 33 MET HE . 11327 1 316 . 1 1 33 33 MET HE3 H 1 2.085 0.030 . 1 . . . . 33 MET HE . 11327 1 317 . 1 1 33 33 MET HG2 H 1 2.393 0.030 . 1 . . . . 33 MET HG2 . 11327 1 318 . 1 1 33 33 MET HG3 H 1 2.393 0.030 . 1 . . . . 33 MET HG3 . 11327 1 319 . 1 1 33 33 MET C C 13 179.133 0.300 . 1 . . . . 33 MET C . 11327 1 320 . 1 1 33 33 MET CA C 13 58.066 0.300 . 1 . . . . 33 MET CA . 11327 1 321 . 1 1 33 33 MET CB C 13 30.667 0.300 . 1 . . . . 33 MET CB . 11327 1 322 . 1 1 33 33 MET CE C 13 17.896 0.300 . 1 . . . . 33 MET CE . 11327 1 323 . 1 1 33 33 MET CG C 13 33.176 0.300 . 1 . . . . 33 MET CG . 11327 1 324 . 1 1 33 33 MET N N 15 126.905 0.300 . 1 . . . . 33 MET N . 11327 1 325 . 1 1 34 34 CYS H H 1 8.826 0.030 . 1 . . . . 34 CYS H . 11327 1 326 . 1 1 34 34 CYS HA H 1 4.193 0.030 . 1 . . . . 34 CYS HA . 11327 1 327 . 1 1 34 34 CYS HB2 H 1 3.009 0.030 . 2 . . . . 34 CYS HB2 . 11327 1 328 . 1 1 34 34 CYS HB3 H 1 3.965 0.030 . 2 . . . . 34 CYS HB3 . 11327 1 329 . 1 1 34 34 CYS C C 13 177.670 0.300 . 1 . . . . 34 CYS C . 11327 1 330 . 1 1 34 34 CYS CA C 13 65.946 0.300 . 1 . . . . 34 CYS CA . 11327 1 331 . 1 1 34 34 CYS CB C 13 30.266 0.300 . 1 . . . . 34 CYS CB . 11327 1 332 . 1 1 34 34 CYS N N 15 125.188 0.300 . 1 . . . . 34 CYS N . 11327 1 333 . 1 1 35 35 LYS H H 1 7.075 0.030 . 1 . . . . 35 LYS H . 11327 1 334 . 1 1 35 35 LYS HA H 1 4.041 0.030 . 1 . . . . 35 LYS HA . 11327 1 335 . 1 1 35 35 LYS HB2 H 1 1.920 0.030 . 2 . . . . 35 LYS HB2 . 11327 1 336 . 1 1 35 35 LYS HB3 H 1 1.333 0.030 . 2 . . . . 35 LYS HB3 . 11327 1 337 . 1 1 35 35 LYS HD2 H 1 2.142 0.030 . 1 . . . . 35 LYS HD2 . 11327 1 338 . 1 1 35 35 LYS HD3 H 1 2.142 0.030 . 1 . . . . 35 LYS HD3 . 11327 1 339 . 1 1 35 35 LYS HE2 H 1 2.936 0.030 . 2 . . . . 35 LYS HE2 . 11327 1 340 . 1 1 35 35 LYS HE3 H 1 2.784 0.030 . 2 . . . . 35 LYS HE3 . 11327 1 341 . 1 1 35 35 LYS HG2 H 1 1.369 0.030 . 2 . . . . 35 LYS HG2 . 11327 1 342 . 1 1 35 35 LYS HG3 H 1 2.137 0.030 . 2 . . . . 35 LYS HG3 . 11327 1 343 . 1 1 35 35 LYS C C 13 174.481 0.300 . 1 . . . . 35 LYS C . 11327 1 344 . 1 1 35 35 LYS CA C 13 56.555 0.300 . 1 . . . . 35 LYS CA . 11327 1 345 . 1 1 35 35 LYS CB C 13 31.640 0.300 . 1 . . . . 35 LYS CB . 11327 1 346 . 1 1 35 35 LYS CD C 13 28.649 0.300 . 1 . . . . 35 LYS CD . 11327 1 347 . 1 1 35 35 LYS CE C 13 42.609 0.300 . 1 . . . . 35 LYS CE . 11327 1 348 . 1 1 35 35 LYS CG C 13 28.400 0.300 . 1 . . . . 35 LYS CG . 11327 1 349 . 1 1 35 35 LYS N N 15 118.348 0.300 . 1 . . . . 35 LYS N . 11327 1 350 . 1 1 36 36 VAL H H 1 7.844 0.030 . 1 . . . . 36 VAL H . 11327 1 351 . 1 1 36 36 VAL HA H 1 3.262 0.030 . 1 . . . . 36 VAL HA . 11327 1 352 . 1 1 36 36 VAL HB H 1 1.246 0.030 . 1 . . . . 36 VAL HB . 11327 1 353 . 1 1 36 36 VAL HG11 H 1 -0.471 0.030 . 1 . . . . 36 VAL HG1 . 11327 1 354 . 1 1 36 36 VAL HG12 H 1 -0.471 0.030 . 1 . . . . 36 VAL HG1 . 11327 1 355 . 1 1 36 36 VAL HG13 H 1 -0.471 0.030 . 1 . . . . 36 VAL HG1 . 11327 1 356 . 1 1 36 36 VAL HG21 H 1 0.673 0.030 . 1 . . . . 36 VAL HG2 . 11327 1 357 . 1 1 36 36 VAL HG22 H 1 0.673 0.030 . 1 . . . . 36 VAL HG2 . 11327 1 358 . 1 1 36 36 VAL HG23 H 1 0.673 0.030 . 1 . . . . 36 VAL HG2 . 11327 1 359 . 1 1 36 36 VAL C C 13 176.718 0.300 . 1 . . . . 36 VAL C . 11327 1 360 . 1 1 36 36 VAL CA C 13 66.632 0.300 . 1 . . . . 36 VAL CA . 11327 1 361 . 1 1 36 36 VAL CB C 13 32.639 0.300 . 1 . . . . 36 VAL CB . 11327 1 362 . 1 1 36 36 VAL CG1 C 13 22.380 0.300 . 2 . . . . 36 VAL CG1 . 11327 1 363 . 1 1 36 36 VAL CG2 C 13 24.104 0.300 . 2 . . . . 36 VAL CG2 . 11327 1 364 . 1 1 36 36 VAL N N 15 117.305 0.300 . 1 . . . . 36 VAL N . 11327 1 365 . 1 1 37 37 PHE H H 1 7.958 0.030 . 1 . . . . 37 PHE H . 11327 1 366 . 1 1 37 37 PHE HA H 1 5.031 0.030 . 1 . . . . 37 PHE HA . 11327 1 367 . 1 1 37 37 PHE HB2 H 1 3.524 0.030 . 2 . . . . 37 PHE HB2 . 11327 1 368 . 1 1 37 37 PHE HB3 H 1 2.696 0.030 . 2 . . . . 37 PHE HB3 . 11327 1 369 . 1 1 37 37 PHE HD1 H 1 7.321 0.030 . 1 . . . . 37 PHE HD1 . 11327 1 370 . 1 1 37 37 PHE HD2 H 1 7.321 0.030 . 1 . . . . 37 PHE HD2 . 11327 1 371 . 1 1 37 37 PHE HE1 H 1 7.182 0.030 . 1 . . . . 37 PHE HE1 . 11327 1 372 . 1 1 37 37 PHE HE2 H 1 7.182 0.030 . 1 . . . . 37 PHE HE2 . 11327 1 373 . 1 1 37 37 PHE HZ H 1 6.637 0.030 . 1 . . . . 37 PHE HZ . 11327 1 374 . 1 1 37 37 PHE C C 13 177.046 0.300 . 1 . . . . 37 PHE C . 11327 1 375 . 1 1 37 37 PHE CA C 13 57.102 0.300 . 1 . . . . 37 PHE CA . 11327 1 376 . 1 1 37 37 PHE CB C 13 42.756 0.300 . 1 . . . . 37 PHE CB . 11327 1 377 . 1 1 37 37 PHE CD1 C 13 132.626 0.300 . 1 . . . . 37 PHE CD1 . 11327 1 378 . 1 1 37 37 PHE CD2 C 13 132.626 0.300 . 1 . . . . 37 PHE CD2 . 11327 1 379 . 1 1 37 37 PHE CE1 C 13 131.096 0.300 . 1 . . . . 37 PHE CE1 . 11327 1 380 . 1 1 37 37 PHE CE2 C 13 131.096 0.300 . 1 . . . . 37 PHE CE2 . 11327 1 381 . 1 1 37 37 PHE CZ C 13 128.675 0.300 . 1 . . . . 37 PHE CZ . 11327 1 382 . 1 1 37 37 PHE N N 15 110.463 0.300 . 1 . . . . 37 PHE N . 11327 1 383 . 1 1 38 38 GLY H H 1 6.923 0.030 . 1 . . . . 38 GLY H . 11327 1 384 . 1 1 38 38 GLY HA2 H 1 4.740 0.030 . 2 . . . . 38 GLY HA2 . 11327 1 385 . 1 1 38 38 GLY HA3 H 1 4.320 0.030 . 2 . . . . 38 GLY HA3 . 11327 1 386 . 1 1 38 38 GLY C C 13 176.935 0.300 . 1 . . . . 38 GLY C . 11327 1 387 . 1 1 38 38 GLY CA C 13 45.801 0.300 . 1 . . . . 38 GLY CA . 11327 1 388 . 1 1 38 38 GLY N N 15 108.191 0.300 . 1 . . . . 38 GLY N . 11327 1 389 . 1 1 39 39 ILE H H 1 8.937 0.030 . 1 . . . . 39 ILE H . 11327 1 390 . 1 1 39 39 ILE HA H 1 4.018 0.030 . 1 . . . . 39 ILE HA . 11327 1 391 . 1 1 39 39 ILE HB H 1 1.797 0.030 . 1 . . . . 39 ILE HB . 11327 1 392 . 1 1 39 39 ILE HD11 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 11327 1 393 . 1 1 39 39 ILE HD12 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 11327 1 394 . 1 1 39 39 ILE HD13 H 1 0.747 0.030 . 1 . . . . 39 ILE HD1 . 11327 1 395 . 1 1 39 39 ILE HG12 H 1 1.137 0.030 . 2 . . . . 39 ILE HG12 . 11327 1 396 . 1 1 39 39 ILE HG13 H 1 0.607 0.030 . 2 . . . . 39 ILE HG13 . 11327 1 397 . 1 1 39 39 ILE HG21 H 1 0.767 0.030 . 1 . . . . 39 ILE HG2 . 11327 1 398 . 1 1 39 39 ILE HG22 H 1 0.767 0.030 . 1 . . . . 39 ILE HG2 . 11327 1 399 . 1 1 39 39 ILE HG23 H 1 0.767 0.030 . 1 . . . . 39 ILE HG2 . 11327 1 400 . 1 1 39 39 ILE C C 13 177.287 0.300 . 1 . . . . 39 ILE C . 11327 1 401 . 1 1 39 39 ILE CA C 13 63.724 0.300 . 1 . . . . 39 ILE CA . 11327 1 402 . 1 1 39 39 ILE CB C 13 38.413 0.300 . 1 . . . . 39 ILE CB . 11327 1 403 . 1 1 39 39 ILE CD1 C 13 14.229 0.300 . 1 . . . . 39 ILE CD1 . 11327 1 404 . 1 1 39 39 ILE CG1 C 13 26.369 0.300 . 1 . . . . 39 ILE CG1 . 11327 1 405 . 1 1 39 39 ILE CG2 C 13 17.276 0.300 . 1 . . . . 39 ILE CG2 . 11327 1 406 . 1 1 39 39 ILE N N 15 117.711 0.300 . 1 . . . . 39 ILE N . 11327 1 407 . 1 1 40 40 HIS H H 1 7.408 0.030 . 1 . . . . 40 HIS H . 11327 1 408 . 1 1 40 40 HIS HA H 1 6.147 0.030 . 1 . . . . 40 HIS HA . 11327 1 409 . 1 1 40 40 HIS HB2 H 1 3.401 0.030 . 2 . . . . 40 HIS HB2 . 11327 1 410 . 1 1 40 40 HIS HB3 H 1 2.014 0.030 . 2 . . . . 40 HIS HB3 . 11327 1 411 . 1 1 40 40 HIS HD2 H 1 7.124 0.030 . 1 . . . . 40 HIS HD2 . 11327 1 412 . 1 1 40 40 HIS HE1 H 1 7.796 0.030 . 1 . . . . 40 HIS HE1 . 11327 1 413 . 1 1 40 40 HIS C C 13 176.126 0.300 . 1 . . . . 40 HIS C . 11327 1 414 . 1 1 40 40 HIS CA C 13 56.041 0.300 . 1 . . . . 40 HIS CA . 11327 1 415 . 1 1 40 40 HIS CB C 13 29.810 0.300 . 1 . . . . 40 HIS CB . 11327 1 416 . 1 1 40 40 HIS CD2 C 13 121.885 0.300 . 1 . . . . 40 HIS CD2 . 11327 1 417 . 1 1 40 40 HIS CE1 C 13 140.485 0.300 . 1 . . . . 40 HIS CE1 . 11327 1 418 . 1 1 40 40 HIS N N 15 118.554 0.300 . 1 . . . . 40 HIS N . 11327 1 419 . 1 1 41 41 LYS H H 1 7.391 0.030 . 1 . . . . 41 LYS H . 11327 1 420 . 1 1 41 41 LYS HA H 1 4.913 0.030 . 1 . . . . 41 LYS HA . 11327 1 421 . 1 1 41 41 LYS HB2 H 1 1.883 0.030 . 2 . . . . 41 LYS HB2 . 11327 1 422 . 1 1 41 41 LYS HB3 H 1 1.697 0.030 . 2 . . . . 41 LYS HB3 . 11327 1 423 . 1 1 41 41 LYS HD2 H 1 1.654 0.030 . 1 . . . . 41 LYS HD2 . 11327 1 424 . 1 1 41 41 LYS HD3 H 1 1.654 0.030 . 1 . . . . 41 LYS HD3 . 11327 1 425 . 1 1 41 41 LYS HE2 H 1 2.846 0.030 . 2 . . . . 41 LYS HE2 . 11327 1 426 . 1 1 41 41 LYS HE3 H 1 3.029 0.030 . 2 . . . . 41 LYS HE3 . 11327 1 427 . 1 1 41 41 LYS HG2 H 1 1.374 0.030 . 2 . . . . 41 LYS HG2 . 11327 1 428 . 1 1 41 41 LYS HG3 H 1 1.515 0.030 . 2 . . . . 41 LYS HG3 . 11327 1 429 . 1 1 41 41 LYS C C 13 179.056 0.300 . 1 . . . . 41 LYS C . 11327 1 430 . 1 1 41 41 LYS CA C 13 59.563 0.300 . 1 . . . . 41 LYS CA . 11327 1 431 . 1 1 41 41 LYS CB C 13 32.857 0.300 . 1 . . . . 41 LYS CB . 11327 1 432 . 1 1 41 41 LYS CD C 13 29.872 0.300 . 1 . . . . 41 LYS CD . 11327 1 433 . 1 1 41 41 LYS CE C 13 41.869 0.300 . 1 . . . . 41 LYS CE . 11327 1 434 . 1 1 41 41 LYS CG C 13 24.116 0.300 . 1 . . . . 41 LYS CG . 11327 1 435 . 1 1 41 41 LYS N N 15 120.447 0.300 . 1 . . . . 41 LYS N . 11327 1 436 . 1 1 42 42 ALA H H 1 8.778 0.030 . 1 . . . . 42 ALA H . 11327 1 437 . 1 1 42 42 ALA HA H 1 4.615 0.030 . 1 . . . . 42 ALA HA . 11327 1 438 . 1 1 42 42 ALA HB1 H 1 1.419 0.030 . 1 . . . . 42 ALA HB . 11327 1 439 . 1 1 42 42 ALA HB2 H 1 1.419 0.030 . 1 . . . . 42 ALA HB . 11327 1 440 . 1 1 42 42 ALA HB3 H 1 1.419 0.030 . 1 . . . . 42 ALA HB . 11327 1 441 . 1 1 42 42 ALA C C 13 177.758 0.300 . 1 . . . . 42 ALA C . 11327 1 442 . 1 1 42 42 ALA CA C 13 51.579 0.300 . 1 . . . . 42 ALA CA . 11327 1 443 . 1 1 42 42 ALA CB C 13 19.026 0.300 . 1 . . . . 42 ALA CB . 11327 1 444 . 1 1 42 42 ALA N N 15 121.730 0.300 . 1 . . . . 42 ALA N . 11327 1 445 . 1 1 43 43 CYS H H 1 7.529 0.030 . 1 . . . . 43 CYS H . 11327 1 446 . 1 1 43 43 CYS HA H 1 4.096 0.030 . 1 . . . . 43 CYS HA . 11327 1 447 . 1 1 43 43 CYS HB2 H 1 2.966 0.030 . 2 . . . . 43 CYS HB2 . 11327 1 448 . 1 1 43 43 CYS HB3 H 1 3.578 0.030 . 2 . . . . 43 CYS HB3 . 11327 1 449 . 1 1 43 43 CYS C C 13 175.870 0.300 . 1 . . . . 43 CYS C . 11327 1 450 . 1 1 43 43 CYS CA C 13 61.105 0.300 . 1 . . . . 43 CYS CA . 11327 1 451 . 1 1 43 43 CYS CB C 13 35.006 0.300 . 1 . . . . 43 CYS CB . 11327 1 452 . 1 1 43 43 CYS N N 15 121.579 0.300 . 1 . . . . 43 CYS N . 11327 1 453 . 1 1 44 44 GLU H H 1 8.437 0.030 . 1 . . . . 44 GLU H . 11327 1 454 . 1 1 44 44 GLU HA H 1 4.525 0.030 . 1 . . . . 44 GLU HA . 11327 1 455 . 1 1 44 44 GLU HB2 H 1 2.061 0.030 . 2 . . . . 44 GLU HB2 . 11327 1 456 . 1 1 44 44 GLU HB3 H 1 1.887 0.030 . 2 . . . . 44 GLU HB3 . 11327 1 457 . 1 1 44 44 GLU HG2 H 1 2.224 0.030 . 2 . . . . 44 GLU HG2 . 11327 1 458 . 1 1 44 44 GLU HG3 H 1 2.342 0.030 . 2 . . . . 44 GLU HG3 . 11327 1 459 . 1 1 44 44 GLU C C 13 175.277 0.300 . 1 . . . . 44 GLU C . 11327 1 460 . 1 1 44 44 GLU CA C 13 55.448 0.300 . 1 . . . . 44 GLU CA . 11327 1 461 . 1 1 44 44 GLU CB C 13 30.434 0.300 . 1 . . . . 44 GLU CB . 11327 1 462 . 1 1 44 44 GLU CG C 13 36.233 0.300 . 1 . . . . 44 GLU CG . 11327 1 463 . 1 1 44 44 GLU N N 15 122.858 0.300 . 1 . . . . 44 GLU N . 11327 1 464 . 1 1 45 45 VAL H H 1 8.378 0.030 . 1 . . . . 45 VAL H . 11327 1 465 . 1 1 45 45 VAL HA H 1 5.537 0.030 . 1 . . . . 45 VAL HA . 11327 1 466 . 1 1 45 45 VAL HB H 1 2.025 0.030 . 1 . . . . 45 VAL HB . 11327 1 467 . 1 1 45 45 VAL HG11 H 1 0.745 0.030 . 1 . . . . 45 VAL HG1 . 11327 1 468 . 1 1 45 45 VAL HG12 H 1 0.745 0.030 . 1 . . . . 45 VAL HG1 . 11327 1 469 . 1 1 45 45 VAL HG13 H 1 0.745 0.030 . 1 . . . . 45 VAL HG1 . 11327 1 470 . 1 1 45 45 VAL HG21 H 1 0.571 0.030 . 1 . . . . 45 VAL HG2 . 11327 1 471 . 1 1 45 45 VAL HG22 H 1 0.571 0.030 . 1 . . . . 45 VAL HG2 . 11327 1 472 . 1 1 45 45 VAL HG23 H 1 0.571 0.030 . 1 . . . . 45 VAL HG2 . 11327 1 473 . 1 1 45 45 VAL C C 13 174.385 0.300 . 1 . . . . 45 VAL C . 11327 1 474 . 1 1 45 45 VAL CA C 13 58.486 0.300 . 1 . . . . 45 VAL CA . 11327 1 475 . 1 1 45 45 VAL CB C 13 35.315 0.300 . 1 . . . . 45 VAL CB . 11327 1 476 . 1 1 45 45 VAL CG1 C 13 21.187 0.300 . 2 . . . . 45 VAL CG1 . 11327 1 477 . 1 1 45 45 VAL CG2 C 13 18.688 0.300 . 2 . . . . 45 VAL CG2 . 11327 1 478 . 1 1 45 45 VAL N N 15 114.010 0.300 . 1 . . . . 45 VAL N . 11327 1 479 . 1 1 46 46 ALA H H 1 9.213 0.030 . 1 . . . . 46 ALA H . 11327 1 480 . 1 1 46 46 ALA HA H 1 5.139 0.030 . 1 . . . . 46 ALA HA . 11327 1 481 . 1 1 46 46 ALA HB1 H 1 1.428 0.030 . 1 . . . . 46 ALA HB . 11327 1 482 . 1 1 46 46 ALA HB2 H 1 1.428 0.030 . 1 . . . . 46 ALA HB . 11327 1 483 . 1 1 46 46 ALA HB3 H 1 1.428 0.030 . 1 . . . . 46 ALA HB . 11327 1 484 . 1 1 46 46 ALA C C 13 173.776 0.300 . 1 . . . . 46 ALA C . 11327 1 485 . 1 1 46 46 ALA CA C 13 49.871 0.300 . 1 . . . . 46 ALA CA . 11327 1 486 . 1 1 46 46 ALA CB C 13 21.667 0.300 . 1 . . . . 46 ALA CB . 11327 1 487 . 1 1 46 46 ALA N N 15 122.854 0.300 . 1 . . . . 46 ALA N . 11327 1 488 . 1 1 47 47 PRO HA H 1 4.461 0.030 . 1 . . . . 47 PRO HA . 11327 1 489 . 1 1 47 47 PRO HB2 H 1 2.160 0.030 . 2 . . . . 47 PRO HB2 . 11327 1 490 . 1 1 47 47 PRO HB3 H 1 1.722 0.030 . 2 . . . . 47 PRO HB3 . 11327 1 491 . 1 1 47 47 PRO HD2 H 1 3.467 0.030 . 1 . . . . 47 PRO HD2 . 11327 1 492 . 1 1 47 47 PRO HD3 H 1 3.467 0.030 . 1 . . . . 47 PRO HD3 . 11327 1 493 . 1 1 47 47 PRO HG2 H 1 1.060 0.030 . 2 . . . . 47 PRO HG2 . 11327 1 494 . 1 1 47 47 PRO HG3 H 1 1.790 0.030 . 2 . . . . 47 PRO HG3 . 11327 1 495 . 1 1 47 47 PRO C C 13 177.207 0.300 . 1 . . . . 47 PRO C . 11327 1 496 . 1 1 47 47 PRO CA C 13 63.067 0.300 . 1 . . . . 47 PRO CA . 11327 1 497 . 1 1 47 47 PRO CB C 13 31.682 0.300 . 1 . . . . 47 PRO CB . 11327 1 498 . 1 1 47 47 PRO CD C 13 50.578 0.300 . 1 . . . . 47 PRO CD . 11327 1 499 . 1 1 47 47 PRO CG C 13 27.635 0.300 . 1 . . . . 47 PRO CG . 11327 1 500 . 1 1 48 48 LEU H H 1 7.828 0.030 . 1 . . . . 48 LEU H . 11327 1 501 . 1 1 48 48 LEU HA H 1 4.040 0.030 . 1 . . . . 48 LEU HA . 11327 1 502 . 1 1 48 48 LEU HB2 H 1 1.624 0.030 . 2 . . . . 48 LEU HB2 . 11327 1 503 . 1 1 48 48 LEU HB3 H 1 1.061 0.030 . 2 . . . . 48 LEU HB3 . 11327 1 504 . 1 1 48 48 LEU HD11 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11327 1 505 . 1 1 48 48 LEU HD12 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11327 1 506 . 1 1 48 48 LEU HD13 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11327 1 507 . 1 1 48 48 LEU HD21 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11327 1 508 . 1 1 48 48 LEU HD22 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11327 1 509 . 1 1 48 48 LEU HD23 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11327 1 510 . 1 1 48 48 LEU HG H 1 1.450 0.030 . 1 . . . . 48 LEU HG . 11327 1 511 . 1 1 48 48 LEU C C 13 177.083 0.300 . 1 . . . . 48 LEU C . 11327 1 512 . 1 1 48 48 LEU CA C 13 56.959 0.300 . 1 . . . . 48 LEU CA . 11327 1 513 . 1 1 48 48 LEU CB C 13 42.609 0.300 . 1 . . . . 48 LEU CB . 11327 1 514 . 1 1 48 48 LEU CD1 C 13 24.217 0.300 . 2 . . . . 48 LEU CD1 . 11327 1 515 . 1 1 48 48 LEU CD2 C 13 25.924 0.300 . 2 . . . . 48 LEU CD2 . 11327 1 516 . 1 1 48 48 LEU CG C 13 26.904 0.300 . 1 . . . . 48 LEU CG . 11327 1 517 . 1 1 48 48 LEU N N 15 125.192 0.300 . 1 . . . . 48 LEU N . 11327 1 518 . 1 1 49 49 GLN H H 1 8.676 0.030 . 1 . . . . 49 GLN H . 11327 1 519 . 1 1 49 49 GLN HA H 1 4.246 0.030 . 1 . . . . 49 GLN HA . 11327 1 520 . 1 1 49 49 GLN HB2 H 1 2.069 0.030 . 2 . . . . 49 GLN HB2 . 11327 1 521 . 1 1 49 49 GLN HB3 H 1 1.952 0.030 . 2 . . . . 49 GLN HB3 . 11327 1 522 . 1 1 49 49 GLN HE21 H 1 6.867 0.030 . 2 . . . . 49 GLN HE21 . 11327 1 523 . 1 1 49 49 GLN HE22 H 1 7.524 0.030 . 2 . . . . 49 GLN HE22 . 11327 1 524 . 1 1 49 49 GLN HG2 H 1 2.345 0.030 . 1 . . . . 49 GLN HG2 . 11327 1 525 . 1 1 49 49 GLN HG3 H 1 2.345 0.030 . 1 . . . . 49 GLN HG3 . 11327 1 526 . 1 1 49 49 GLN C C 13 176.204 0.300 . 1 . . . . 49 GLN C . 11327 1 527 . 1 1 49 49 GLN CA C 13 56.575 0.300 . 1 . . . . 49 GLN CA . 11327 1 528 . 1 1 49 49 GLN CB C 13 28.652 0.300 . 1 . . . . 49 GLN CB . 11327 1 529 . 1 1 49 49 GLN CG C 13 33.769 0.300 . 1 . . . . 49 GLN CG . 11327 1 530 . 1 1 49 49 GLN N N 15 118.539 0.300 . 1 . . . . 49 GLN N . 11327 1 531 . 1 1 49 49 GLN NE2 N 15 112.330 0.300 . 1 . . . . 49 GLN NE2 . 11327 1 532 . 1 1 50 50 SER H H 1 7.887 0.030 . 1 . . . . 50 SER H . 11327 1 533 . 1 1 50 50 SER HA H 1 4.363 0.030 . 1 . . . . 50 SER HA . 11327 1 534 . 1 1 50 50 SER HB2 H 1 3.836 0.030 . 1 . . . . 50 SER HB2 . 11327 1 535 . 1 1 50 50 SER HB3 H 1 3.836 0.030 . 1 . . . . 50 SER HB3 . 11327 1 536 . 1 1 50 50 SER C C 13 174.436 0.300 . 1 . . . . 50 SER C . 11327 1 537 . 1 1 50 50 SER CA C 13 59.116 0.300 . 1 . . . . 50 SER CA . 11327 1 538 . 1 1 50 50 SER CB C 13 63.845 0.300 . 1 . . . . 50 SER CB . 11327 1 539 . 1 1 50 50 SER N N 15 114.864 0.300 . 1 . . . . 50 SER N . 11327 1 540 . 1 1 51 51 VAL H H 1 7.555 0.030 . 1 . . . . 51 VAL H . 11327 1 541 . 1 1 51 51 VAL HA H 1 3.995 0.030 . 1 . . . . 51 VAL HA . 11327 1 542 . 1 1 51 51 VAL HB H 1 1.739 0.030 . 1 . . . . 51 VAL HB . 11327 1 543 . 1 1 51 51 VAL HG11 H 1 0.440 0.030 . 1 . . . . 51 VAL HG1 . 11327 1 544 . 1 1 51 51 VAL HG12 H 1 0.440 0.030 . 1 . . . . 51 VAL HG1 . 11327 1 545 . 1 1 51 51 VAL HG13 H 1 0.440 0.030 . 1 . . . . 51 VAL HG1 . 11327 1 546 . 1 1 51 51 VAL HG21 H 1 0.586 0.030 . 1 . . . . 51 VAL HG2 . 11327 1 547 . 1 1 51 51 VAL HG22 H 1 0.586 0.030 . 1 . . . . 51 VAL HG2 . 11327 1 548 . 1 1 51 51 VAL HG23 H 1 0.586 0.030 . 1 . . . . 51 VAL HG2 . 11327 1 549 . 1 1 51 51 VAL C C 13 175.898 0.300 . 1 . . . . 51 VAL C . 11327 1 550 . 1 1 51 51 VAL CA C 13 62.448 0.300 . 1 . . . . 51 VAL CA . 11327 1 551 . 1 1 51 51 VAL CB C 13 32.674 0.300 . 1 . . . . 51 VAL CB . 11327 1 552 . 1 1 51 51 VAL CG1 C 13 20.606 0.300 . 2 . . . . 51 VAL CG1 . 11327 1 553 . 1 1 51 51 VAL CG2 C 13 20.136 0.300 . 2 . . . . 51 VAL CG2 . 11327 1 554 . 1 1 51 51 VAL N N 15 119.696 0.300 . 1 . . . . 51 VAL N . 11327 1 555 . 1 1 52 52 PHE H H 1 8.087 0.030 . 1 . . . . 52 PHE H . 11327 1 556 . 1 1 52 52 PHE HA H 1 4.565 0.030 . 1 . . . . 52 PHE HA . 11327 1 557 . 1 1 52 52 PHE HB2 H 1 3.065 0.030 . 2 . . . . 52 PHE HB2 . 11327 1 558 . 1 1 52 52 PHE HB3 H 1 2.908 0.030 . 2 . . . . 52 PHE HB3 . 11327 1 559 . 1 1 52 52 PHE HD1 H 1 7.161 0.030 . 1 . . . . 52 PHE HD1 . 11327 1 560 . 1 1 52 52 PHE HD2 H 1 7.161 0.030 . 1 . . . . 52 PHE HD2 . 11327 1 561 . 1 1 52 52 PHE HE1 H 1 7.227 0.030 . 1 . . . . 52 PHE HE1 . 11327 1 562 . 1 1 52 52 PHE HE2 H 1 7.227 0.030 . 1 . . . . 52 PHE HE2 . 11327 1 563 . 1 1 52 52 PHE HZ H 1 7.201 0.030 . 1 . . . . 52 PHE HZ . 11327 1 564 . 1 1 52 52 PHE C C 13 175.718 0.300 . 1 . . . . 52 PHE C . 11327 1 565 . 1 1 52 52 PHE CA C 13 57.624 0.300 . 1 . . . . 52 PHE CA . 11327 1 566 . 1 1 52 52 PHE CB C 13 39.208 0.300 . 1 . . . . 52 PHE CB . 11327 1 567 . 1 1 52 52 PHE CD1 C 13 131.635 0.300 . 1 . . . . 52 PHE CD1 . 11327 1 568 . 1 1 52 52 PHE CD2 C 13 131.635 0.300 . 1 . . . . 52 PHE CD2 . 11327 1 569 . 1 1 52 52 PHE CE1 C 13 131.637 0.300 . 1 . . . . 52 PHE CE1 . 11327 1 570 . 1 1 52 52 PHE CE2 C 13 131.637 0.300 . 1 . . . . 52 PHE CE2 . 11327 1 571 . 1 1 52 52 PHE CZ C 13 129.677 0.300 . 1 . . . . 52 PHE CZ . 11327 1 572 . 1 1 52 52 PHE N N 15 122.444 0.300 . 1 . . . . 52 PHE N . 11327 1 573 . 1 1 53 53 GLN H H 1 8.182 0.030 . 1 . . . . 53 GLN H . 11327 1 574 . 1 1 53 53 GLN HA H 1 4.232 0.030 . 1 . . . . 53 GLN HA . 11327 1 575 . 1 1 53 53 GLN HB2 H 1 1.880 0.030 . 2 . . . . 53 GLN HB2 . 11327 1 576 . 1 1 53 53 GLN HB3 H 1 2.064 0.030 . 2 . . . . 53 GLN HB3 . 11327 1 577 . 1 1 53 53 GLN HE21 H 1 7.432 0.030 . 2 . . . . 53 GLN HE21 . 11327 1 578 . 1 1 53 53 GLN HE22 H 1 6.777 0.030 . 2 . . . . 53 GLN HE22 . 11327 1 579 . 1 1 53 53 GLN HG2 H 1 2.225 0.030 . 1 . . . . 53 GLN HG2 . 11327 1 580 . 1 1 53 53 GLN HG3 H 1 2.225 0.030 . 1 . . . . 53 GLN HG3 . 11327 1 581 . 1 1 53 53 GLN C C 13 176.132 0.300 . 1 . . . . 53 GLN C . 11327 1 582 . 1 1 53 53 GLN CA C 13 55.956 0.300 . 1 . . . . 53 GLN CA . 11327 1 583 . 1 1 53 53 GLN CB C 13 29.397 0.300 . 1 . . . . 53 GLN CB . 11327 1 584 . 1 1 53 53 GLN CG C 13 33.737 0.300 . 1 . . . . 53 GLN CG . 11327 1 585 . 1 1 53 53 GLN N N 15 122.123 0.300 . 1 . . . . 53 GLN N . 11327 1 586 . 1 1 53 53 GLN NE2 N 15 112.154 0.300 . 1 . . . . 53 GLN NE2 . 11327 1 587 . 1 1 54 54 GLY H H 1 7.924 0.030 . 1 . . . . 54 GLY H . 11327 1 588 . 1 1 54 54 GLY HA2 H 1 3.877 0.030 . 1 . . . . 54 GLY HA2 . 11327 1 589 . 1 1 54 54 GLY HA3 H 1 3.877 0.030 . 1 . . . . 54 GLY HA3 . 11327 1 590 . 1 1 54 54 GLY C C 13 173.869 0.300 . 1 . . . . 54 GLY C . 11327 1 591 . 1 1 54 54 GLY CA C 13 45.264 0.300 . 1 . . . . 54 GLY CA . 11327 1 592 . 1 1 54 54 GLY N N 15 109.125 0.300 . 1 . . . . 54 GLY N . 11327 1 593 . 1 1 55 55 GLN H H 1 8.193 0.030 . 1 . . . . 55 GLN H . 11327 1 594 . 1 1 55 55 GLN HA H 1 4.332 0.030 . 1 . . . . 55 GLN HA . 11327 1 595 . 1 1 55 55 GLN HB2 H 1 1.971 0.030 . 2 . . . . 55 GLN HB2 . 11327 1 596 . 1 1 55 55 GLN HB3 H 1 2.087 0.030 . 2 . . . . 55 GLN HB3 . 11327 1 597 . 1 1 55 55 GLN HE21 H 1 6.870 0.030 . 2 . . . . 55 GLN HE21 . 11327 1 598 . 1 1 55 55 GLN HE22 H 1 7.535 0.030 . 2 . . . . 55 GLN HE22 . 11327 1 599 . 1 1 55 55 GLN HG2 H 1 2.344 0.030 . 1 . . . . 55 GLN HG2 . 11327 1 600 . 1 1 55 55 GLN HG3 H 1 2.344 0.030 . 1 . . . . 55 GLN HG3 . 11327 1 601 . 1 1 55 55 GLN C C 13 175.962 0.300 . 1 . . . . 55 GLN C . 11327 1 602 . 1 1 55 55 GLN CA C 13 55.805 0.300 . 1 . . . . 55 GLN CA . 11327 1 603 . 1 1 55 55 GLN CB C 13 29.688 0.300 . 1 . . . . 55 GLN CB . 11327 1 604 . 1 1 55 55 GLN CG C 13 33.696 0.300 . 1 . . . . 55 GLN CG . 11327 1 605 . 1 1 55 55 GLN N N 15 119.791 0.300 . 1 . . . . 55 GLN N . 11327 1 606 . 1 1 55 55 GLN NE2 N 15 112.377 0.300 . 1 . . . . 55 GLN NE2 . 11327 1 607 . 1 1 56 56 LYS H H 1 8.472 0.030 . 1 . . . . 56 LYS H . 11327 1 608 . 1 1 56 56 LYS HA H 1 4.400 0.030 . 1 . . . . 56 LYS HA . 11327 1 609 . 1 1 56 56 LYS HB2 H 1 1.763 0.030 . 2 . . . . 56 LYS HB2 . 11327 1 610 . 1 1 56 56 LYS HB3 H 1 1.845 0.030 . 2 . . . . 56 LYS HB3 . 11327 1 611 . 1 1 56 56 LYS HD2 H 1 1.664 0.030 . 1 . . . . 56 LYS HD2 . 11327 1 612 . 1 1 56 56 LYS HD3 H 1 1.664 0.030 . 1 . . . . 56 LYS HD3 . 11327 1 613 . 1 1 56 56 LYS HE2 H 1 2.971 0.030 . 1 . . . . 56 LYS HE2 . 11327 1 614 . 1 1 56 56 LYS HE3 H 1 2.971 0.030 . 1 . . . . 56 LYS HE3 . 11327 1 615 . 1 1 56 56 LYS HG2 H 1 1.407 0.030 . 1 . . . . 56 LYS HG2 . 11327 1 616 . 1 1 56 56 LYS HG3 H 1 1.407 0.030 . 1 . . . . 56 LYS HG3 . 11327 1 617 . 1 1 56 56 LYS C C 13 176.680 0.300 . 1 . . . . 56 LYS C . 11327 1 618 . 1 1 56 56 LYS CA C 13 56.326 0.300 . 1 . . . . 56 LYS CA . 11327 1 619 . 1 1 56 56 LYS CB C 13 33.136 0.300 . 1 . . . . 56 LYS CB . 11327 1 620 . 1 1 56 56 LYS CD C 13 29.049 0.300 . 1 . . . . 56 LYS CD . 11327 1 621 . 1 1 56 56 LYS CE C 13 42.127 0.300 . 1 . . . . 56 LYS CE . 11327 1 622 . 1 1 56 56 LYS CG C 13 24.690 0.300 . 1 . . . . 56 LYS CG . 11327 1 623 . 1 1 56 56 LYS N N 15 123.242 0.300 . 1 . . . . 56 LYS N . 11327 1 624 . 1 1 57 57 THR H H 1 8.268 0.030 . 1 . . . . 57 THR H . 11327 1 625 . 1 1 57 57 THR HA H 1 4.344 0.030 . 1 . . . . 57 THR HA . 11327 1 626 . 1 1 57 57 THR HB H 1 4.196 0.030 . 1 . . . . 57 THR HB . 11327 1 627 . 1 1 57 57 THR HG21 H 1 1.187 0.030 . 1 . . . . 57 THR HG2 . 11327 1 628 . 1 1 57 57 THR HG22 H 1 1.187 0.030 . 1 . . . . 57 THR HG2 . 11327 1 629 . 1 1 57 57 THR HG23 H 1 1.187 0.030 . 1 . . . . 57 THR HG2 . 11327 1 630 . 1 1 57 57 THR C C 13 174.527 0.300 . 1 . . . . 57 THR C . 11327 1 631 . 1 1 57 57 THR CA C 13 61.849 0.300 . 1 . . . . 57 THR CA . 11327 1 632 . 1 1 57 57 THR CB C 13 69.910 0.300 . 1 . . . . 57 THR CB . 11327 1 633 . 1 1 57 57 THR CG2 C 13 21.659 0.300 . 1 . . . . 57 THR CG2 . 11327 1 634 . 1 1 57 57 THR N N 15 116.240 0.300 . 1 . . . . 57 THR N . 11327 1 635 . 1 1 58 58 GLU H H 1 8.520 0.030 . 1 . . . . 58 GLU H . 11327 1 636 . 1 1 58 58 GLU HA H 1 4.375 0.030 . 1 . . . . 58 GLU HA . 11327 1 637 . 1 1 58 58 GLU HB2 H 1 1.945 0.030 . 2 . . . . 58 GLU HB2 . 11327 1 638 . 1 1 58 58 GLU HB3 H 1 2.089 0.030 . 2 . . . . 58 GLU HB3 . 11327 1 639 . 1 1 58 58 GLU HG2 H 1 2.263 0.030 . 1 . . . . 58 GLU HG2 . 11327 1 640 . 1 1 58 58 GLU HG3 H 1 2.263 0.030 . 1 . . . . 58 GLU HG3 . 11327 1 641 . 1 1 58 58 GLU C C 13 176.382 0.300 . 1 . . . . 58 GLU C . 11327 1 642 . 1 1 58 58 GLU CA C 13 56.570 0.300 . 1 . . . . 58 GLU CA . 11327 1 643 . 1 1 58 58 GLU CB C 13 30.368 0.300 . 1 . . . . 58 GLU CB . 11327 1 644 . 1 1 58 58 GLU CG C 13 36.287 0.300 . 1 . . . . 58 GLU CG . 11327 1 645 . 1 1 58 58 GLU N N 15 123.531 0.300 . 1 . . . . 58 GLU N . 11327 1 646 . 1 1 59 59 SER H H 1 8.420 0.030 . 1 . . . . 59 SER H . 11327 1 647 . 1 1 59 59 SER HA H 1 4.506 0.030 . 1 . . . . 59 SER HA . 11327 1 648 . 1 1 59 59 SER HB2 H 1 3.873 0.030 . 1 . . . . 59 SER HB2 . 11327 1 649 . 1 1 59 59 SER HB3 H 1 3.873 0.030 . 1 . . . . 59 SER HB3 . 11327 1 650 . 1 1 59 59 SER C C 13 174.551 0.300 . 1 . . . . 59 SER C . 11327 1 651 . 1 1 59 59 SER CA C 13 58.277 0.300 . 1 . . . . 59 SER CA . 11327 1 652 . 1 1 59 59 SER CB C 13 63.918 0.300 . 1 . . . . 59 SER CB . 11327 1 653 . 1 1 59 59 SER N N 15 117.105 0.300 . 1 . . . . 59 SER N . 11327 1 654 . 1 1 60 60 GLY H H 1 8.275 0.030 . 1 . . . . 60 GLY H . 11327 1 655 . 1 1 60 60 GLY HA2 H 1 4.167 0.030 . 2 . . . . 60 GLY HA2 . 11327 1 656 . 1 1 60 60 GLY HA3 H 1 4.081 0.030 . 2 . . . . 60 GLY HA3 . 11327 1 657 . 1 1 60 60 GLY C C 13 171.777 0.300 . 1 . . . . 60 GLY C . 11327 1 658 . 1 1 60 60 GLY CA C 13 44.646 0.300 . 1 . . . . 60 GLY CA . 11327 1 659 . 1 1 60 60 GLY N N 15 110.787 0.300 . 1 . . . . 60 GLY N . 11327 1 660 . 1 1 61 61 PRO HA H 1 4.479 0.030 . 1 . . . . 61 PRO HA . 11327 1 661 . 1 1 61 61 PRO HB2 H 1 1.966 0.030 . 2 . . . . 61 PRO HB2 . 11327 1 662 . 1 1 61 61 PRO HB3 H 1 2.290 0.030 . 2 . . . . 61 PRO HB3 . 11327 1 663 . 1 1 61 61 PRO HD2 H 1 3.628 0.030 . 1 . . . . 61 PRO HD2 . 11327 1 664 . 1 1 61 61 PRO HD3 H 1 3.628 0.030 . 1 . . . . 61 PRO HD3 . 11327 1 665 . 1 1 61 61 PRO HG2 H 1 2.017 0.030 . 1 . . . . 61 PRO HG2 . 11327 1 666 . 1 1 61 61 PRO HG3 H 1 2.017 0.030 . 1 . . . . 61 PRO HG3 . 11327 1 667 . 1 1 61 61 PRO C C 13 177.398 0.300 . 1 . . . . 61 PRO C . 11327 1 668 . 1 1 61 61 PRO CA C 13 63.130 0.300 . 1 . . . . 61 PRO CA . 11327 1 669 . 1 1 61 61 PRO CB C 13 32.160 0.300 . 1 . . . . 61 PRO CB . 11327 1 670 . 1 1 61 61 PRO CD C 13 49.795 0.300 . 1 . . . . 61 PRO CD . 11327 1 671 . 1 1 61 61 PRO CG C 13 27.153 0.300 . 1 . . . . 61 PRO CG . 11327 1 672 . 1 1 62 62 SER H H 1 8.530 0.030 . 1 . . . . 62 SER H . 11327 1 673 . 1 1 62 62 SER C C 13 174.692 0.300 . 1 . . . . 62 SER C . 11327 1 674 . 1 1 62 62 SER N N 15 116.451 0.300 . 1 . . . . 62 SER N . 11327 1 stop_ save_