data_11336 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11336 _Entry.Title ; Solution Structure of the RING domain of the human ring finger protein 4 ; _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 . . . 11336 2 M. Yoneyama . . . 11336 3 T. Tomizawa . . . 11336 4 S. Koshiba . . . 11336 5 S. Watanabe . . . 11336 6 T. Harada . . . 11336 7 T. Kigawa . . . 11336 8 S. Yokoyama . . . 11336 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)' . 11336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 11336 '15N chemical shifts' 63 11336 '1H chemical shifts' 418 11336 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 . 11336 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EA6 'BMRB Entry Tracking System' 11336 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11336 _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 RING domain of the human ring finger protein 4' _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 . . . 11336 1 2 M. Yoneyama . . . 11336 1 3 T. Tomizawa . . . 11336 1 4 S. Koshiba . . . 11336 1 5 S. Watanabe . . . 11336 1 6 T. Harada . . . 11336 1 7 T. Kigawa . . . 11336 1 8 S. Yokoyama . . . 11336 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11336 _Assembly.ID 1 _Assembly.Name 'RING finger protein 4' _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 . _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 'RING domain' 1 $entity_1 A . yes native no no . . . 11336 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11336 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11336 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 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11336 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11336 1 3 coordination single . 1 'RING domain' 1 CYS 45 45 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 11336 1 4 coordination single . 1 'RING domain' 1 CYS 48 48 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11336 1 5 coordination single . 1 'RING domain' 1 CYS 40 40 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 40 CYS SG . . . . ZN 11336 1 6 coordination single . 1 'RING domain' 1 HIS 42 42 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 42 HIS ND1 . . . . ZN 11336 1 7 coordination single . 1 'RING domain' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11336 1 8 coordination single . 1 'RING domain' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11336 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 59 59 HG . 59 CYS HG 11336 1 . . 1 1 CYS 62 62 HG . 62 CYS HG 11336 1 . . 1 1 CYS 40 40 HG . 40 CYS HG 11336 1 . . 1 1 HIS 42 42 HD1 . 42 HIS HD1 11336 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 11336 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 11336 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11336 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11336 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 2ea6 . . . . . . 11336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11336 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING 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 ; GSSGSSGTGLRPSGTVSCPI CMDGYSEIVQNGRLIVSTEC GHVFCSQCLRDSLKNANTCP TCRKKINHK ; _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 69 _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 2EA6 . "Solution Structure Of The Ring Domain Of The Human Ring Finger Protein 4" . . . . . 100.00 69 100.00 100.00 3.62e-41 . . . . 11336 1 2 no PDB 3NG2 . "Crystal Structure Of The Rnf4 Ring Domain Dimer" . . . . . 89.86 71 100.00 100.00 1.29e-36 . . . . 11336 1 3 no PDB 4AP4 . "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" . . . . . 82.61 133 100.00 100.00 1.07e-31 . . . . 11336 1 4 no PDB 5AIT . "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" . . . . . 82.61 133 100.00 100.00 1.07e-31 . . . . 11336 1 5 no PDB 5AIU . "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" . . . . . 82.61 133 100.00 100.00 1.07e-31 . . . . 11336 1 6 no DBJ BAA19122 . "zinc finger protein [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 7 no DBJ BAG35433 . "unnamed protein product [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 8 no DBJ BAG54620 . "unnamed protein product [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 9 no DBJ BAG73691 . "ring finger protein 4 [synthetic construct]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 10 no GB AAC35248 . "small nuclear RING finger protein [Rattus norvegicus]" . . . . . 89.86 194 100.00 100.00 6.43e-37 . . . . 11336 1 11 no GB AAC52022 . "RNF4 [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 12 no GB AAH31935 . "RNF4 protein [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 13 no GB AAH62024 . "Rnf4 protein [Rattus norvegicus]" . . . . . 89.86 194 100.00 100.00 6.43e-37 . . . . 11336 1 14 no GB AAL06715 . "small nuclear RING finger protein [Rattus norvegicus]" . . . . . 89.86 194 100.00 100.00 6.43e-37 . . . . 11336 1 15 no REF NP_001171938 . "E3 ubiquitin-protein ligase RNF4 isoform 1 [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 16 no REF NP_002929 . "E3 ubiquitin-protein ligase RNF4 isoform 1 [Homo sapiens]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 17 no REF NP_062055 . "E3 ubiquitin-protein ligase RNF4 [Rattus norvegicus]" . . . . . 89.86 194 100.00 100.00 6.43e-37 . . . . 11336 1 18 no REF XP_003890937 . "PREDICTED: E3 ubiquitin-protein ligase RNF4 [Papio anubis]" . . . . . 91.30 190 98.41 98.41 3.61e-37 . . . . 11336 1 19 no REF XP_004038387 . "PREDICTED: E3 ubiquitin-protein ligase RNF4 [Gorilla gorilla gorilla]" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 20 no SP O88846 . "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4; AltName: Full=Small nuclear ring finger pr" . . . . . 89.86 194 100.00 100.00 6.43e-37 . . . . 11336 1 21 no SP P78317 . "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4; AltName: Full=Small nuclear ring finger pr" . . . . . 91.30 190 98.41 98.41 3.00e-37 . . . . 11336 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11336 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 . 11336 1 2 . SER . 11336 1 3 . SER . 11336 1 4 . GLY . 11336 1 5 . SER . 11336 1 6 . SER . 11336 1 7 . GLY . 11336 1 8 . THR . 11336 1 9 . GLY . 11336 1 10 . LEU . 11336 1 11 . ARG . 11336 1 12 . PRO . 11336 1 13 . SER . 11336 1 14 . GLY . 11336 1 15 . THR . 11336 1 16 . VAL . 11336 1 17 . SER . 11336 1 18 . CYS . 11336 1 19 . PRO . 11336 1 20 . ILE . 11336 1 21 . CYS . 11336 1 22 . MET . 11336 1 23 . ASP . 11336 1 24 . GLY . 11336 1 25 . TYR . 11336 1 26 . SER . 11336 1 27 . GLU . 11336 1 28 . ILE . 11336 1 29 . VAL . 11336 1 30 . GLN . 11336 1 31 . ASN . 11336 1 32 . GLY . 11336 1 33 . ARG . 11336 1 34 . LEU . 11336 1 35 . ILE . 11336 1 36 . VAL . 11336 1 37 . SER . 11336 1 38 . THR . 11336 1 39 . GLU . 11336 1 40 . CYS . 11336 1 41 . GLY . 11336 1 42 . HIS . 11336 1 43 . VAL . 11336 1 44 . PHE . 11336 1 45 . CYS . 11336 1 46 . SER . 11336 1 47 . GLN . 11336 1 48 . CYS . 11336 1 49 . LEU . 11336 1 50 . ARG . 11336 1 51 . ASP . 11336 1 52 . SER . 11336 1 53 . LEU . 11336 1 54 . LYS . 11336 1 55 . ASN . 11336 1 56 . ALA . 11336 1 57 . ASN . 11336 1 58 . THR . 11336 1 59 . CYS . 11336 1 60 . PRO . 11336 1 61 . THR . 11336 1 62 . CYS . 11336 1 63 . ARG . 11336 1 64 . LYS . 11336 1 65 . LYS . 11336 1 66 . ILE . 11336 1 67 . ASN . 11336 1 68 . HIS . 11336 1 69 . LYS . 11336 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 11336 1 . SER 2 2 11336 1 . SER 3 3 11336 1 . GLY 4 4 11336 1 . SER 5 5 11336 1 . SER 6 6 11336 1 . GLY 7 7 11336 1 . THR 8 8 11336 1 . GLY 9 9 11336 1 . LEU 10 10 11336 1 . ARG 11 11 11336 1 . PRO 12 12 11336 1 . SER 13 13 11336 1 . GLY 14 14 11336 1 . THR 15 15 11336 1 . VAL 16 16 11336 1 . SER 17 17 11336 1 . CYS 18 18 11336 1 . PRO 19 19 11336 1 . ILE 20 20 11336 1 . CYS 21 21 11336 1 . MET 22 22 11336 1 . ASP 23 23 11336 1 . GLY 24 24 11336 1 . TYR 25 25 11336 1 . SER 26 26 11336 1 . GLU 27 27 11336 1 . ILE 28 28 11336 1 . VAL 29 29 11336 1 . GLN 30 30 11336 1 . ASN 31 31 11336 1 . GLY 32 32 11336 1 . ARG 33 33 11336 1 . LEU 34 34 11336 1 . ILE 35 35 11336 1 . VAL 36 36 11336 1 . SER 37 37 11336 1 . THR 38 38 11336 1 . GLU 39 39 11336 1 . CYS 40 40 11336 1 . GLY 41 41 11336 1 . HIS 42 42 11336 1 . VAL 43 43 11336 1 . PHE 44 44 11336 1 . CYS 45 45 11336 1 . SER 46 46 11336 1 . GLN 47 47 11336 1 . CYS 48 48 11336 1 . LEU 49 49 11336 1 . ARG 50 50 11336 1 . ASP 51 51 11336 1 . SER 52 52 11336 1 . LEU 53 53 11336 1 . LYS 54 54 11336 1 . ASN 55 55 11336 1 . ALA 56 56 11336 1 . ASN 57 57 11336 1 . THR 58 58 11336 1 . CYS 59 59 11336 1 . PRO 60 60 11336 1 . THR 61 61 11336 1 . CYS 62 62 11336 1 . ARG 63 63 11336 1 . LYS 64 64 11336 1 . LYS 65 65 11336 1 . ILE 66 66 11336 1 . ASN 67 67 11336 1 . HIS 68 68 11336 1 . LYS 69 69 11336 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11336 _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 . 11336 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 11336 _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 . . . . . . . . . . . . . . . . . . . . . 11336 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 11336 _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 . . P060327-06 . . . . . . 11336 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 11336 _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 11336 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11336 ZN [Zn++] SMILES CACTVS 3.341 11336 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11336 ZN [Zn+2] SMILES ACDLabs 10.04 11336 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11336 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11336 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 11336 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11336 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 . 11336 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11336 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.03mM RING domain {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 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.03 . . mM . . . . 11336 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11336 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11336 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11336 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11336 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11336 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11336 1 8 H2O . . . . . . solvent 90 . . % . . . . 11336 1 9 D2O . . . . . . solvent 10 . . % . . . . 11336 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 11336 _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 11336 1 pH 7.0 0.05 pH 11336 1 pressure 1 0.001 atm 11336 1 temperature 298 0.1 K 11336 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11336 _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 . . 11336 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11336 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11336 _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.' . . 11336 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11336 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11336 _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.' . . 11336 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11336 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11336 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11336 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11336 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11336 _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.' . . 11336 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11336 5 'structure solution' 11336 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 11336 _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 11336 _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 . . . 11336 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 11336 _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 . . . . . . . . . . . . . . . . 11336 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11336 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 11336 _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 . . . . . . . . . 11336 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11336 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11336 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 11336 _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 11336 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11336 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 . . 11336 1 2 $NMRPipe . . 11336 1 3 $NMRView . . 11336 1 4 $Kujira . . 11336 1 5 $CYANA . . 11336 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 4.035 0.030 . 1 . . . . 7 GLY HA2 . 11336 1 2 . 1 1 7 7 GLY HA3 H 1 4.035 0.030 . 1 . . . . 7 GLY HA3 . 11336 1 3 . 1 1 7 7 GLY C C 13 174.544 0.300 . 1 . . . . 7 GLY C . 11336 1 4 . 1 1 7 7 GLY CA C 13 45.480 0.300 . 1 . . . . 7 GLY CA . 11336 1 5 . 1 1 8 8 THR H H 1 8.128 0.030 . 1 . . . . 8 THR H . 11336 1 6 . 1 1 8 8 THR HA H 1 4.349 0.030 . 1 . . . . 8 THR HA . 11336 1 7 . 1 1 8 8 THR HB H 1 4.267 0.030 . 1 . . . . 8 THR HB . 11336 1 8 . 1 1 8 8 THR HG21 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 11336 1 9 . 1 1 8 8 THR HG22 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 11336 1 10 . 1 1 8 8 THR HG23 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 11336 1 11 . 1 1 8 8 THR C C 13 175.298 0.300 . 1 . . . . 8 THR C . 11336 1 12 . 1 1 8 8 THR CA C 13 61.671 0.300 . 1 . . . . 8 THR CA . 11336 1 13 . 1 1 8 8 THR CB C 13 69.836 0.300 . 1 . . . . 8 THR CB . 11336 1 14 . 1 1 8 8 THR CG2 C 13 21.492 0.300 . 1 . . . . 8 THR CG2 . 11336 1 15 . 1 1 8 8 THR N N 15 112.939 0.300 . 1 . . . . 8 THR N . 11336 1 16 . 1 1 9 9 GLY H H 1 8.449 0.030 . 1 . . . . 9 GLY H . 11336 1 17 . 1 1 9 9 GLY HA2 H 1 3.937 0.030 . 1 . . . . 9 GLY HA2 . 11336 1 18 . 1 1 9 9 GLY HA3 H 1 3.937 0.030 . 1 . . . . 9 GLY HA3 . 11336 1 19 . 1 1 9 9 GLY C C 13 173.906 0.300 . 1 . . . . 9 GLY C . 11336 1 20 . 1 1 9 9 GLY CA C 13 45.301 0.300 . 1 . . . . 9 GLY CA . 11336 1 21 . 1 1 9 9 GLY N N 15 111.134 0.300 . 1 . . . . 9 GLY N . 11336 1 22 . 1 1 10 10 LEU H H 1 8.065 0.030 . 1 . . . . 10 LEU H . 11336 1 23 . 1 1 10 10 LEU HA H 1 4.324 0.030 . 1 . . . . 10 LEU HA . 11336 1 24 . 1 1 10 10 LEU HB2 H 1 1.572 0.030 . 2 . . . . 10 LEU HB2 . 11336 1 25 . 1 1 10 10 LEU HB3 H 1 1.518 0.030 . 2 . . . . 10 LEU HB3 . 11336 1 26 . 1 1 10 10 LEU HD11 H 1 0.877 0.030 . 1 . . . . 10 LEU HD1 . 11336 1 27 . 1 1 10 10 LEU HD12 H 1 0.877 0.030 . 1 . . . . 10 LEU HD1 . 11336 1 28 . 1 1 10 10 LEU HD13 H 1 0.877 0.030 . 1 . . . . 10 LEU HD1 . 11336 1 29 . 1 1 10 10 LEU HD21 H 1 0.830 0.030 . 1 . . . . 10 LEU HD2 . 11336 1 30 . 1 1 10 10 LEU HD22 H 1 0.830 0.030 . 1 . . . . 10 LEU HD2 . 11336 1 31 . 1 1 10 10 LEU HD23 H 1 0.830 0.030 . 1 . . . . 10 LEU HD2 . 11336 1 32 . 1 1 10 10 LEU HG H 1 1.553 0.030 . 1 . . . . 10 LEU HG . 11336 1 33 . 1 1 10 10 LEU C C 13 177.174 0.300 . 1 . . . . 10 LEU C . 11336 1 34 . 1 1 10 10 LEU CA C 13 55.040 0.300 . 1 . . . . 10 LEU CA . 11336 1 35 . 1 1 10 10 LEU CB C 13 42.397 0.300 . 1 . . . . 10 LEU CB . 11336 1 36 . 1 1 10 10 LEU CD1 C 13 24.914 0.300 . 2 . . . . 10 LEU CD1 . 11336 1 37 . 1 1 10 10 LEU CD2 C 13 23.464 0.300 . 2 . . . . 10 LEU CD2 . 11336 1 38 . 1 1 10 10 LEU CG C 13 27.096 0.300 . 1 . . . . 10 LEU CG . 11336 1 39 . 1 1 10 10 LEU N N 15 121.580 0.300 . 1 . . . . 10 LEU N . 11336 1 40 . 1 1 11 11 ARG H H 1 8.358 0.030 . 1 . . . . 11 ARG H . 11336 1 41 . 1 1 11 11 ARG HA H 1 4.598 0.030 . 1 . . . . 11 ARG HA . 11336 1 42 . 1 1 11 11 ARG HB2 H 1 1.691 0.030 . 2 . . . . 11 ARG HB2 . 11336 1 43 . 1 1 11 11 ARG HB3 H 1 1.792 0.030 . 2 . . . . 11 ARG HB3 . 11336 1 44 . 1 1 11 11 ARG HD2 H 1 3.163 0.030 . 1 . . . . 11 ARG HD2 . 11336 1 45 . 1 1 11 11 ARG HD3 H 1 3.163 0.030 . 1 . . . . 11 ARG HD3 . 11336 1 46 . 1 1 11 11 ARG HG2 H 1 1.615 0.030 . 1 . . . . 11 ARG HG2 . 11336 1 47 . 1 1 11 11 ARG HG3 H 1 1.615 0.030 . 1 . . . . 11 ARG HG3 . 11336 1 48 . 1 1 11 11 ARG C C 13 174.185 0.300 . 1 . . . . 11 ARG C . 11336 1 49 . 1 1 11 11 ARG CA C 13 53.755 0.300 . 1 . . . . 11 ARG CA . 11336 1 50 . 1 1 11 11 ARG CB C 13 30.189 0.300 . 1 . . . . 11 ARG CB . 11336 1 51 . 1 1 11 11 ARG CD C 13 43.338 0.300 . 1 . . . . 11 ARG CD . 11336 1 52 . 1 1 11 11 ARG CG C 13 26.767 0.300 . 1 . . . . 11 ARG CG . 11336 1 53 . 1 1 11 11 ARG N N 15 123.184 0.300 . 1 . . . . 11 ARG N . 11336 1 54 . 1 1 12 12 PRO HA H 1 4.405 0.030 . 1 . . . . 12 PRO HA . 11336 1 55 . 1 1 12 12 PRO HB2 H 1 1.885 0.030 . 2 . . . . 12 PRO HB2 . 11336 1 56 . 1 1 12 12 PRO HB3 H 1 2.269 0.030 . 2 . . . . 12 PRO HB3 . 11336 1 57 . 1 1 12 12 PRO HD2 H 1 3.572 0.030 . 2 . . . . 12 PRO HD2 . 11336 1 58 . 1 1 12 12 PRO HD3 H 1 3.769 0.030 . 2 . . . . 12 PRO HD3 . 11336 1 59 . 1 1 12 12 PRO HG2 H 1 1.995 0.030 . 2 . . . . 12 PRO HG2 . 11336 1 60 . 1 1 12 12 PRO HG3 H 1 1.946 0.030 . 2 . . . . 12 PRO HG3 . 11336 1 61 . 1 1 12 12 PRO C C 13 177.054 0.300 . 1 . . . . 12 PRO C . 11336 1 62 . 1 1 12 12 PRO CA C 13 63.182 0.300 . 1 . . . . 12 PRO CA . 11336 1 63 . 1 1 12 12 PRO CB C 13 32.170 0.300 . 1 . . . . 12 PRO CB . 11336 1 64 . 1 1 12 12 PRO CD C 13 50.657 0.300 . 1 . . . . 12 PRO CD . 11336 1 65 . 1 1 12 12 PRO CG C 13 27.429 0.300 . 1 . . . . 12 PRO CG . 11336 1 66 . 1 1 13 13 SER H H 1 8.459 0.030 . 1 . . . . 13 SER H . 11336 1 67 . 1 1 13 13 SER HA H 1 4.500 0.030 . 1 . . . . 13 SER HA . 11336 1 68 . 1 1 13 13 SER HB2 H 1 3.903 0.030 . 1 . . . . 13 SER HB2 . 11336 1 69 . 1 1 13 13 SER HB3 H 1 3.903 0.030 . 1 . . . . 13 SER HB3 . 11336 1 70 . 1 1 13 13 SER C C 13 175.061 0.300 . 1 . . . . 13 SER C . 11336 1 71 . 1 1 13 13 SER CA C 13 58.601 0.300 . 1 . . . . 13 SER CA . 11336 1 72 . 1 1 13 13 SER CB C 13 63.680 0.300 . 1 . . . . 13 SER CB . 11336 1 73 . 1 1 13 13 SER N N 15 116.631 0.300 . 1 . . . . 13 SER N . 11336 1 74 . 1 1 14 14 GLY H H 1 8.456 0.030 . 1 . . . . 14 GLY H . 11336 1 75 . 1 1 14 14 GLY HA2 H 1 3.947 0.030 . 1 . . . . 14 GLY HA2 . 11336 1 76 . 1 1 14 14 GLY HA3 H 1 3.947 0.030 . 1 . . . . 14 GLY HA3 . 11336 1 77 . 1 1 14 14 GLY C C 13 174.206 0.300 . 1 . . . . 14 GLY C . 11336 1 78 . 1 1 14 14 GLY CA C 13 45.369 0.300 . 1 . . . . 14 GLY CA . 11336 1 79 . 1 1 14 14 GLY N N 15 110.794 0.300 . 1 . . . . 14 GLY N . 11336 1 80 . 1 1 15 15 THR H H 1 8.035 0.030 . 1 . . . . 15 THR H . 11336 1 81 . 1 1 15 15 THR HA H 1 4.347 0.030 . 1 . . . . 15 THR HA . 11336 1 82 . 1 1 15 15 THR HB H 1 4.173 0.030 . 1 . . . . 15 THR HB . 11336 1 83 . 1 1 15 15 THR HG21 H 1 1.158 0.030 . 1 . . . . 15 THR HG2 . 11336 1 84 . 1 1 15 15 THR HG22 H 1 1.158 0.030 . 1 . . . . 15 THR HG2 . 11336 1 85 . 1 1 15 15 THR HG23 H 1 1.158 0.030 . 1 . . . . 15 THR HG2 . 11336 1 86 . 1 1 15 15 THR C C 13 174.513 0.300 . 1 . . . . 15 THR C . 11336 1 87 . 1 1 15 15 THR CA C 13 61.736 0.300 . 1 . . . . 15 THR CA . 11336 1 88 . 1 1 15 15 THR CB C 13 69.967 0.300 . 1 . . . . 15 THR CB . 11336 1 89 . 1 1 15 15 THR CG2 C 13 21.609 0.300 . 1 . . . . 15 THR CG2 . 11336 1 90 . 1 1 15 15 THR N N 15 113.540 0.300 . 1 . . . . 15 THR N . 11336 1 91 . 1 1 16 16 VAL H H 1 8.104 0.030 . 1 . . . . 16 VAL H . 11336 1 92 . 1 1 16 16 VAL HA H 1 4.118 0.030 . 1 . . . . 16 VAL HA . 11336 1 93 . 1 1 16 16 VAL HB H 1 2.022 0.030 . 1 . . . . 16 VAL HB . 11336 1 94 . 1 1 16 16 VAL HG11 H 1 0.891 0.030 . 1 . . . . 16 VAL HG1 . 11336 1 95 . 1 1 16 16 VAL HG12 H 1 0.891 0.030 . 1 . . . . 16 VAL HG1 . 11336 1 96 . 1 1 16 16 VAL HG13 H 1 0.891 0.030 . 1 . . . . 16 VAL HG1 . 11336 1 97 . 1 1 16 16 VAL HG21 H 1 0.841 0.030 . 1 . . . . 16 VAL HG2 . 11336 1 98 . 1 1 16 16 VAL HG22 H 1 0.841 0.030 . 1 . . . . 16 VAL HG2 . 11336 1 99 . 1 1 16 16 VAL HG23 H 1 0.841 0.030 . 1 . . . . 16 VAL HG2 . 11336 1 100 . 1 1 16 16 VAL C C 13 174.505 0.300 . 1 . . . . 16 VAL C . 11336 1 101 . 1 1 16 16 VAL CA C 13 62.339 0.300 . 1 . . . . 16 VAL CA . 11336 1 102 . 1 1 16 16 VAL CB C 13 32.941 0.300 . 1 . . . . 16 VAL CB . 11336 1 103 . 1 1 16 16 VAL CG1 C 13 20.815 0.300 . 2 . . . . 16 VAL CG1 . 11336 1 104 . 1 1 16 16 VAL CG2 C 13 21.316 0.300 . 2 . . . . 16 VAL CG2 . 11336 1 105 . 1 1 16 16 VAL N N 15 122.974 0.300 . 1 . . . . 16 VAL N . 11336 1 106 . 1 1 17 17 SER H H 1 7.924 0.030 . 1 . . . . 17 SER H . 11336 1 107 . 1 1 17 17 SER HA H 1 4.828 0.030 . 1 . . . . 17 SER HA . 11336 1 108 . 1 1 17 17 SER HB2 H 1 3.615 0.030 . 2 . . . . 17 SER HB2 . 11336 1 109 . 1 1 17 17 SER HB3 H 1 3.467 0.030 . 2 . . . . 17 SER HB3 . 11336 1 110 . 1 1 17 17 SER C C 13 172.144 0.300 . 1 . . . . 17 SER C . 11336 1 111 . 1 1 17 17 SER CA C 13 56.917 0.300 . 1 . . . . 17 SER CA . 11336 1 112 . 1 1 17 17 SER CB C 13 65.544 0.300 . 1 . . . . 17 SER CB . 11336 1 113 . 1 1 17 17 SER N N 15 117.804 0.300 . 1 . . . . 17 SER N . 11336 1 114 . 1 1 18 18 CYS H H 1 8.145 0.030 . 1 . . . . 18 CYS H . 11336 1 115 . 1 1 18 18 CYS HA H 1 4.872 0.030 . 1 . . . . 18 CYS HA . 11336 1 116 . 1 1 18 18 CYS HB2 H 1 2.723 0.030 . 2 . . . . 18 CYS HB2 . 11336 1 117 . 1 1 18 18 CYS HB3 H 1 3.633 0.030 . 2 . . . . 18 CYS HB3 . 11336 1 118 . 1 1 18 18 CYS C C 13 175.931 0.300 . 1 . . . . 18 CYS C . 11336 1 119 . 1 1 18 18 CYS CA C 13 55.584 0.300 . 1 . . . . 18 CYS CA . 11336 1 120 . 1 1 18 18 CYS CB C 13 32.329 0.300 . 1 . . . . 18 CYS CB . 11336 1 121 . 1 1 18 18 CYS N N 15 123.726 0.300 . 1 . . . . 18 CYS N . 11336 1 122 . 1 1 19 19 PRO HA H 1 4.555 0.030 . 1 . . . . 19 PRO HA . 11336 1 123 . 1 1 19 19 PRO HB2 H 1 2.187 0.030 . 2 . . . . 19 PRO HB2 . 11336 1 124 . 1 1 19 19 PRO HB3 H 1 2.076 0.030 . 2 . . . . 19 PRO HB3 . 11336 1 125 . 1 1 19 19 PRO HD2 H 1 4.321 0.030 . 2 . . . . 19 PRO HD2 . 11336 1 126 . 1 1 19 19 PRO HD3 H 1 3.848 0.030 . 2 . . . . 19 PRO HD3 . 11336 1 127 . 1 1 19 19 PRO HG2 H 1 2.063 0.030 . 2 . . . . 19 PRO HG2 . 11336 1 128 . 1 1 19 19 PRO HG3 H 1 1.934 0.030 . 2 . . . . 19 PRO HG3 . 11336 1 129 . 1 1 19 19 PRO C C 13 176.107 0.300 . 1 . . . . 19 PRO C . 11336 1 130 . 1 1 19 19 PRO CA C 13 64.211 0.300 . 1 . . . . 19 PRO CA . 11336 1 131 . 1 1 19 19 PRO CB C 13 32.251 0.300 . 1 . . . . 19 PRO CB . 11336 1 132 . 1 1 19 19 PRO CD C 13 51.697 0.300 . 1 . . . . 19 PRO CD . 11336 1 133 . 1 1 19 19 PRO CG C 13 27.478 0.300 . 1 . . . . 19 PRO CG . 11336 1 134 . 1 1 20 20 ILE H H 1 8.631 0.030 . 1 . . . . 20 ILE H . 11336 1 135 . 1 1 20 20 ILE HA H 1 4.160 0.030 . 1 . . . . 20 ILE HA . 11336 1 136 . 1 1 20 20 ILE HB H 1 2.436 0.030 . 1 . . . . 20 ILE HB . 11336 1 137 . 1 1 20 20 ILE HD11 H 1 0.763 0.030 . 1 . . . . 20 ILE HD1 . 11336 1 138 . 1 1 20 20 ILE HD12 H 1 0.763 0.030 . 1 . . . . 20 ILE HD1 . 11336 1 139 . 1 1 20 20 ILE HD13 H 1 0.763 0.030 . 1 . . . . 20 ILE HD1 . 11336 1 140 . 1 1 20 20 ILE HG12 H 1 1.692 0.030 . 2 . . . . 20 ILE HG12 . 11336 1 141 . 1 1 20 20 ILE HG13 H 1 1.272 0.030 . 2 . . . . 20 ILE HG13 . 11336 1 142 . 1 1 20 20 ILE HG21 H 1 0.972 0.030 . 1 . . . . 20 ILE HG2 . 11336 1 143 . 1 1 20 20 ILE HG22 H 1 0.972 0.030 . 1 . . . . 20 ILE HG2 . 11336 1 144 . 1 1 20 20 ILE HG23 H 1 0.972 0.030 . 1 . . . . 20 ILE HG2 . 11336 1 145 . 1 1 20 20 ILE C C 13 176.402 0.300 . 1 . . . . 20 ILE C . 11336 1 146 . 1 1 20 20 ILE CA C 13 64.141 0.300 . 1 . . . . 20 ILE CA . 11336 1 147 . 1 1 20 20 ILE CB C 13 36.646 0.300 . 1 . . . . 20 ILE CB . 11336 1 148 . 1 1 20 20 ILE CD1 C 13 12.971 0.300 . 1 . . . . 20 ILE CD1 . 11336 1 149 . 1 1 20 20 ILE CG1 C 13 28.063 0.300 . 1 . . . . 20 ILE CG1 . 11336 1 150 . 1 1 20 20 ILE CG2 C 13 17.365 0.300 . 1 . . . . 20 ILE CG2 . 11336 1 151 . 1 1 20 20 ILE N N 15 122.472 0.300 . 1 . . . . 20 ILE N . 11336 1 152 . 1 1 21 21 CYS H H 1 7.938 0.030 . 1 . . . . 21 CYS H . 11336 1 153 . 1 1 21 21 CYS HA H 1 4.526 0.030 . 1 . . . . 21 CYS HA . 11336 1 154 . 1 1 21 21 CYS HB2 H 1 3.144 0.030 . 2 . . . . 21 CYS HB2 . 11336 1 155 . 1 1 21 21 CYS HB3 H 1 2.705 0.030 . 2 . . . . 21 CYS HB3 . 11336 1 156 . 1 1 21 21 CYS C C 13 176.428 0.300 . 1 . . . . 21 CYS C . 11336 1 157 . 1 1 21 21 CYS CA C 13 59.426 0.300 . 1 . . . . 21 CYS CA . 11336 1 158 . 1 1 21 21 CYS CB C 13 31.299 0.300 . 1 . . . . 21 CYS CB . 11336 1 159 . 1 1 21 21 CYS N N 15 118.803 0.300 . 1 . . . . 21 CYS N . 11336 1 160 . 1 1 22 22 MET H H 1 7.632 0.030 . 1 . . . . 22 MET H . 11336 1 161 . 1 1 22 22 MET HA H 1 4.444 0.030 . 1 . . . . 22 MET HA . 11336 1 162 . 1 1 22 22 MET HB2 H 1 2.240 0.030 . 2 . . . . 22 MET HB2 . 11336 1 163 . 1 1 22 22 MET HB3 H 1 2.484 0.030 . 2 . . . . 22 MET HB3 . 11336 1 164 . 1 1 22 22 MET HE1 H 1 2.032 0.030 . 1 . . . . 22 MET HE . 11336 1 165 . 1 1 22 22 MET HE2 H 1 2.032 0.030 . 1 . . . . 22 MET HE . 11336 1 166 . 1 1 22 22 MET HE3 H 1 2.032 0.030 . 1 . . . . 22 MET HE . 11336 1 167 . 1 1 22 22 MET HG2 H 1 2.489 0.030 . 2 . . . . 22 MET HG2 . 11336 1 168 . 1 1 22 22 MET HG3 H 1 2.272 0.030 . 2 . . . . 22 MET HG3 . 11336 1 169 . 1 1 22 22 MET C C 13 175.721 0.300 . 1 . . . . 22 MET C . 11336 1 170 . 1 1 22 22 MET CA C 13 57.089 0.300 . 1 . . . . 22 MET CA . 11336 1 171 . 1 1 22 22 MET CB C 13 28.490 0.300 . 1 . . . . 22 MET CB . 11336 1 172 . 1 1 22 22 MET CE C 13 16.838 0.300 . 1 . . . . 22 MET CE . 11336 1 173 . 1 1 22 22 MET CG C 13 32.800 0.300 . 1 . . . . 22 MET CG . 11336 1 174 . 1 1 22 22 MET N N 15 115.436 0.300 . 1 . . . . 22 MET N . 11336 1 175 . 1 1 23 23 ASP H H 1 8.443 0.030 . 1 . . . . 23 ASP H . 11336 1 176 . 1 1 23 23 ASP HA H 1 4.705 0.030 . 1 . . . . 23 ASP HA . 11336 1 177 . 1 1 23 23 ASP HB2 H 1 3.044 0.030 . 2 . . . . 23 ASP HB2 . 11336 1 178 . 1 1 23 23 ASP HB3 H 1 2.604 0.030 . 2 . . . . 23 ASP HB3 . 11336 1 179 . 1 1 23 23 ASP C C 13 176.446 0.300 . 1 . . . . 23 ASP C . 11336 1 180 . 1 1 23 23 ASP CA C 13 55.422 0.300 . 1 . . . . 23 ASP CA . 11336 1 181 . 1 1 23 23 ASP CB C 13 42.231 0.300 . 1 . . . . 23 ASP CB . 11336 1 182 . 1 1 23 23 ASP N N 15 123.044 0.300 . 1 . . . . 23 ASP N . 11336 1 183 . 1 1 24 24 GLY H H 1 8.384 0.030 . 1 . . . . 24 GLY H . 11336 1 184 . 1 1 24 24 GLY HA2 H 1 3.888 0.030 . 2 . . . . 24 GLY HA2 . 11336 1 185 . 1 1 24 24 GLY HA3 H 1 4.431 0.030 . 2 . . . . 24 GLY HA3 . 11336 1 186 . 1 1 24 24 GLY C C 13 174.142 0.300 . 1 . . . . 24 GLY C . 11336 1 187 . 1 1 24 24 GLY CA C 13 43.918 0.300 . 1 . . . . 24 GLY CA . 11336 1 188 . 1 1 24 24 GLY N N 15 106.478 0.300 . 1 . . . . 24 GLY N . 11336 1 189 . 1 1 25 25 TYR H H 1 8.103 0.030 . 1 . . . . 25 TYR H . 11336 1 190 . 1 1 25 25 TYR HA H 1 3.856 0.030 . 1 . . . . 25 TYR HA . 11336 1 191 . 1 1 25 25 TYR HB2 H 1 2.969 0.030 . 2 . . . . 25 TYR HB2 . 11336 1 192 . 1 1 25 25 TYR HB3 H 1 3.143 0.030 . 2 . . . . 25 TYR HB3 . 11336 1 193 . 1 1 25 25 TYR HD1 H 1 6.946 0.030 . 1 . . . . 25 TYR HD1 . 11336 1 194 . 1 1 25 25 TYR HD2 H 1 6.946 0.030 . 1 . . . . 25 TYR HD2 . 11336 1 195 . 1 1 25 25 TYR HE1 H 1 6.735 0.030 . 1 . . . . 25 TYR HE1 . 11336 1 196 . 1 1 25 25 TYR HE2 H 1 6.735 0.030 . 1 . . . . 25 TYR HE2 . 11336 1 197 . 1 1 25 25 TYR C C 13 176.359 0.300 . 1 . . . . 25 TYR C . 11336 1 198 . 1 1 25 25 TYR CA C 13 62.493 0.300 . 1 . . . . 25 TYR CA . 11336 1 199 . 1 1 25 25 TYR CB C 13 39.001 0.300 . 1 . . . . 25 TYR CB . 11336 1 200 . 1 1 25 25 TYR CD1 C 13 132.675 0.300 . 1 . . . . 25 TYR CD1 . 11336 1 201 . 1 1 25 25 TYR CD2 C 13 132.675 0.300 . 1 . . . . 25 TYR CD2 . 11336 1 202 . 1 1 25 25 TYR CE1 C 13 118.355 0.300 . 1 . . . . 25 TYR CE1 . 11336 1 203 . 1 1 25 25 TYR CE2 C 13 118.355 0.300 . 1 . . . . 25 TYR CE2 . 11336 1 204 . 1 1 25 25 TYR N N 15 119.304 0.300 . 1 . . . . 25 TYR N . 11336 1 205 . 1 1 26 26 SER H H 1 8.749 0.030 . 1 . . . . 26 SER H . 11336 1 206 . 1 1 26 26 SER HA H 1 4.806 0.030 . 1 . . . . 26 SER HA . 11336 1 207 . 1 1 26 26 SER HB2 H 1 3.853 0.030 . 2 . . . . 26 SER HB2 . 11336 1 208 . 1 1 26 26 SER HB3 H 1 3.963 0.030 . 2 . . . . 26 SER HB3 . 11336 1 209 . 1 1 26 26 SER C C 13 176.325 0.300 . 1 . . . . 26 SER C . 11336 1 210 . 1 1 26 26 SER CA C 13 61.886 0.300 . 1 . . . . 26 SER CA . 11336 1 211 . 1 1 26 26 SER CB C 13 62.301 0.300 . 1 . . . . 26 SER CB . 11336 1 212 . 1 1 26 26 SER N N 15 111.745 0.300 . 1 . . . . 26 SER N . 11336 1 213 . 1 1 27 27 GLU H H 1 7.691 0.030 . 1 . . . . 27 GLU H . 11336 1 214 . 1 1 27 27 GLU HA H 1 3.936 0.030 . 1 . . . . 27 GLU HA . 11336 1 215 . 1 1 27 27 GLU HB2 H 1 2.215 0.030 . 2 . . . . 27 GLU HB2 . 11336 1 216 . 1 1 27 27 GLU HB3 H 1 1.856 0.030 . 2 . . . . 27 GLU HB3 . 11336 1 217 . 1 1 27 27 GLU HG2 H 1 2.425 0.030 . 2 . . . . 27 GLU HG2 . 11336 1 218 . 1 1 27 27 GLU HG3 H 1 2.143 0.030 . 2 . . . . 27 GLU HG3 . 11336 1 219 . 1 1 27 27 GLU C C 13 178.578 0.300 . 1 . . . . 27 GLU C . 11336 1 220 . 1 1 27 27 GLU CA C 13 59.839 0.300 . 1 . . . . 27 GLU CA . 11336 1 221 . 1 1 27 27 GLU CB C 13 29.452 0.300 . 1 . . . . 27 GLU CB . 11336 1 222 . 1 1 27 27 GLU CG C 13 37.622 0.300 . 1 . . . . 27 GLU CG . 11336 1 223 . 1 1 27 27 GLU N N 15 121.080 0.300 . 1 . . . . 27 GLU N . 11336 1 224 . 1 1 28 28 ILE H H 1 8.018 0.030 . 1 . . . . 28 ILE H . 11336 1 225 . 1 1 28 28 ILE HA H 1 3.556 0.030 . 1 . . . . 28 ILE HA . 11336 1 226 . 1 1 28 28 ILE HB H 1 1.792 0.030 . 1 . . . . 28 ILE HB . 11336 1 227 . 1 1 28 28 ILE HD11 H 1 0.612 0.030 . 1 . . . . 28 ILE HD1 . 11336 1 228 . 1 1 28 28 ILE HD12 H 1 0.612 0.030 . 1 . . . . 28 ILE HD1 . 11336 1 229 . 1 1 28 28 ILE HD13 H 1 0.612 0.030 . 1 . . . . 28 ILE HD1 . 11336 1 230 . 1 1 28 28 ILE HG12 H 1 1.729 0.030 . 2 . . . . 28 ILE HG12 . 11336 1 231 . 1 1 28 28 ILE HG13 H 1 0.710 0.030 . 2 . . . . 28 ILE HG13 . 11336 1 232 . 1 1 28 28 ILE HG21 H 1 0.588 0.030 . 1 . . . . 28 ILE HG2 . 11336 1 233 . 1 1 28 28 ILE HG22 H 1 0.588 0.030 . 1 . . . . 28 ILE HG2 . 11336 1 234 . 1 1 28 28 ILE HG23 H 1 0.588 0.030 . 1 . . . . 28 ILE HG2 . 11336 1 235 . 1 1 28 28 ILE C C 13 176.521 0.300 . 1 . . . . 28 ILE C . 11336 1 236 . 1 1 28 28 ILE CA C 13 65.528 0.300 . 1 . . . . 28 ILE CA . 11336 1 237 . 1 1 28 28 ILE CB C 13 38.598 0.300 . 1 . . . . 28 ILE CB . 11336 1 238 . 1 1 28 28 ILE CD1 C 13 14.575 0.300 . 1 . . . . 28 ILE CD1 . 11336 1 239 . 1 1 28 28 ILE CG1 C 13 30.217 0.300 . 1 . . . . 28 ILE CG1 . 11336 1 240 . 1 1 28 28 ILE CG2 C 13 17.657 0.300 . 1 . . . . 28 ILE CG2 . 11336 1 241 . 1 1 28 28 ILE N N 15 121.368 0.300 . 1 . . . . 28 ILE N . 11336 1 242 . 1 1 29 29 VAL H H 1 7.654 0.030 . 1 . . . . 29 VAL H . 11336 1 243 . 1 1 29 29 VAL HA H 1 4.147 0.030 . 1 . . . . 29 VAL HA . 11336 1 244 . 1 1 29 29 VAL HB H 1 2.006 0.030 . 1 . . . . 29 VAL HB . 11336 1 245 . 1 1 29 29 VAL HG11 H 1 0.739 0.030 . 1 . . . . 29 VAL HG1 . 11336 1 246 . 1 1 29 29 VAL HG12 H 1 0.739 0.030 . 1 . . . . 29 VAL HG1 . 11336 1 247 . 1 1 29 29 VAL HG13 H 1 0.739 0.030 . 1 . . . . 29 VAL HG1 . 11336 1 248 . 1 1 29 29 VAL HG21 H 1 0.716 0.030 . 1 . . . . 29 VAL HG2 . 11336 1 249 . 1 1 29 29 VAL HG22 H 1 0.716 0.030 . 1 . . . . 29 VAL HG2 . 11336 1 250 . 1 1 29 29 VAL HG23 H 1 0.716 0.030 . 1 . . . . 29 VAL HG2 . 11336 1 251 . 1 1 29 29 VAL C C 13 181.154 0.300 . 1 . . . . 29 VAL C . 11336 1 252 . 1 1 29 29 VAL CA C 13 64.177 0.300 . 1 . . . . 29 VAL CA . 11336 1 253 . 1 1 29 29 VAL CB C 13 31.536 0.300 . 1 . . . . 29 VAL CB . 11336 1 254 . 1 1 29 29 VAL CG1 C 13 20.998 0.300 . 2 . . . . 29 VAL CG1 . 11336 1 255 . 1 1 29 29 VAL CG2 C 13 20.135 0.300 . 2 . . . . 29 VAL CG2 . 11336 1 256 . 1 1 29 29 VAL N N 15 111.710 0.300 . 1 . . . . 29 VAL N . 11336 1 257 . 1 1 30 30 GLN H H 1 7.889 0.030 . 1 . . . . 30 GLN H . 11336 1 258 . 1 1 30 30 GLN HA H 1 4.110 0.030 . 1 . . . . 30 GLN HA . 11336 1 259 . 1 1 30 30 GLN HB2 H 1 2.065 0.030 . 2 . . . . 30 GLN HB2 . 11336 1 260 . 1 1 30 30 GLN HB3 H 1 2.257 0.030 . 2 . . . . 30 GLN HB3 . 11336 1 261 . 1 1 30 30 GLN HE21 H 1 7.451 0.030 . 2 . . . . 30 GLN HE21 . 11336 1 262 . 1 1 30 30 GLN HE22 H 1 6.827 0.030 . 2 . . . . 30 GLN HE22 . 11336 1 263 . 1 1 30 30 GLN HG2 H 1 2.453 0.030 . 1 . . . . 30 GLN HG2 . 11336 1 264 . 1 1 30 30 GLN HG3 H 1 2.453 0.030 . 1 . . . . 30 GLN HG3 . 11336 1 265 . 1 1 30 30 GLN C C 13 176.786 0.300 . 1 . . . . 30 GLN C . 11336 1 266 . 1 1 30 30 GLN CA C 13 58.448 0.300 . 1 . . . . 30 GLN CA . 11336 1 267 . 1 1 30 30 GLN CB C 13 28.350 0.300 . 1 . . . . 30 GLN CB . 11336 1 268 . 1 1 30 30 GLN CG C 13 33.908 0.300 . 1 . . . . 30 GLN CG . 11336 1 269 . 1 1 30 30 GLN N N 15 120.886 0.300 . 1 . . . . 30 GLN N . 11336 1 270 . 1 1 30 30 GLN NE2 N 15 111.519 0.300 . 1 . . . . 30 GLN NE2 . 11336 1 271 . 1 1 31 31 ASN H H 1 7.446 0.030 . 1 . . . . 31 ASN H . 11336 1 272 . 1 1 31 31 ASN HA H 1 4.999 0.030 . 1 . . . . 31 ASN HA . 11336 1 273 . 1 1 31 31 ASN HB2 H 1 3.084 0.030 . 2 . . . . 31 ASN HB2 . 11336 1 274 . 1 1 31 31 ASN HB3 H 1 2.798 0.030 . 2 . . . . 31 ASN HB3 . 11336 1 275 . 1 1 31 31 ASN HD21 H 1 6.725 0.030 . 2 . . . . 31 ASN HD21 . 11336 1 276 . 1 1 31 31 ASN HD22 H 1 7.614 0.030 . 2 . . . . 31 ASN HD22 . 11336 1 277 . 1 1 31 31 ASN C C 13 176.259 0.300 . 1 . . . . 31 ASN C . 11336 1 278 . 1 1 31 31 ASN CA C 13 51.919 0.300 . 1 . . . . 31 ASN CA . 11336 1 279 . 1 1 31 31 ASN CB C 13 38.353 0.300 . 1 . . . . 31 ASN CB . 11336 1 280 . 1 1 31 31 ASN N N 15 114.130 0.300 . 1 . . . . 31 ASN N . 11336 1 281 . 1 1 31 31 ASN ND2 N 15 109.582 0.300 . 1 . . . . 31 ASN ND2 . 11336 1 282 . 1 1 32 32 GLY H H 1 7.732 0.030 . 1 . . . . 32 GLY H . 11336 1 283 . 1 1 32 32 GLY HA2 H 1 3.815 0.030 . 2 . . . . 32 GLY HA2 . 11336 1 284 . 1 1 32 32 GLY HA3 H 1 4.101 0.030 . 2 . . . . 32 GLY HA3 . 11336 1 285 . 1 1 32 32 GLY C C 13 174.976 0.300 . 1 . . . . 32 GLY C . 11336 1 286 . 1 1 32 32 GLY CA C 13 46.273 0.300 . 1 . . . . 32 GLY CA . 11336 1 287 . 1 1 32 32 GLY N N 15 105.623 0.300 . 1 . . . . 32 GLY N . 11336 1 288 . 1 1 33 33 ARG H H 1 7.638 0.030 . 1 . . . . 33 ARG H . 11336 1 289 . 1 1 33 33 ARG HA H 1 4.360 0.030 . 1 . . . . 33 ARG HA . 11336 1 290 . 1 1 33 33 ARG HB2 H 1 1.771 0.030 . 2 . . . . 33 ARG HB2 . 11336 1 291 . 1 1 33 33 ARG HB3 H 1 2.418 0.030 . 2 . . . . 33 ARG HB3 . 11336 1 292 . 1 1 33 33 ARG HD2 H 1 3.480 0.030 . 2 . . . . 33 ARG HD2 . 11336 1 293 . 1 1 33 33 ARG HD3 H 1 3.587 0.030 . 2 . . . . 33 ARG HD3 . 11336 1 294 . 1 1 33 33 ARG HG2 H 1 1.627 0.030 . 2 . . . . 33 ARG HG2 . 11336 1 295 . 1 1 33 33 ARG HG3 H 1 1.754 0.030 . 2 . . . . 33 ARG HG3 . 11336 1 296 . 1 1 33 33 ARG C C 13 173.608 0.300 . 1 . . . . 33 ARG C . 11336 1 297 . 1 1 33 33 ARG CA C 13 55.608 0.300 . 1 . . . . 33 ARG CA . 11336 1 298 . 1 1 33 33 ARG CB C 13 33.961 0.300 . 1 . . . . 33 ARG CB . 11336 1 299 . 1 1 33 33 ARG CD C 13 45.240 0.300 . 1 . . . . 33 ARG CD . 11336 1 300 . 1 1 33 33 ARG CG C 13 27.484 0.300 . 1 . . . . 33 ARG CG . 11336 1 301 . 1 1 33 33 ARG N N 15 118.913 0.300 . 1 . . . . 33 ARG N . 11336 1 302 . 1 1 34 34 LEU H H 1 7.949 0.030 . 1 . . . . 34 LEU H . 11336 1 303 . 1 1 34 34 LEU HA H 1 4.689 0.030 . 1 . . . . 34 LEU HA . 11336 1 304 . 1 1 34 34 LEU HB2 H 1 1.578 0.030 . 2 . . . . 34 LEU HB2 . 11336 1 305 . 1 1 34 34 LEU HB3 H 1 1.382 0.030 . 2 . . . . 34 LEU HB3 . 11336 1 306 . 1 1 34 34 LEU HD11 H 1 0.883 0.030 . 1 . . . . 34 LEU HD1 . 11336 1 307 . 1 1 34 34 LEU HD12 H 1 0.883 0.030 . 1 . . . . 34 LEU HD1 . 11336 1 308 . 1 1 34 34 LEU HD13 H 1 0.883 0.030 . 1 . . . . 34 LEU HD1 . 11336 1 309 . 1 1 34 34 LEU HD21 H 1 0.880 0.030 . 1 . . . . 34 LEU HD2 . 11336 1 310 . 1 1 34 34 LEU HD22 H 1 0.880 0.030 . 1 . . . . 34 LEU HD2 . 11336 1 311 . 1 1 34 34 LEU HD23 H 1 0.880 0.030 . 1 . . . . 34 LEU HD2 . 11336 1 312 . 1 1 34 34 LEU HG H 1 1.591 0.030 . 1 . . . . 34 LEU HG . 11336 1 313 . 1 1 34 34 LEU C C 13 176.626 0.300 . 1 . . . . 34 LEU C . 11336 1 314 . 1 1 34 34 LEU CA C 13 52.986 0.300 . 1 . . . . 34 LEU CA . 11336 1 315 . 1 1 34 34 LEU CB C 13 45.197 0.300 . 1 . . . . 34 LEU CB . 11336 1 316 . 1 1 34 34 LEU CD1 C 13 25.304 0.300 . 2 . . . . 34 LEU CD1 . 11336 1 317 . 1 1 34 34 LEU CD2 C 13 23.608 0.300 . 2 . . . . 34 LEU CD2 . 11336 1 318 . 1 1 34 34 LEU CG C 13 27.275 0.300 . 1 . . . . 34 LEU CG . 11336 1 319 . 1 1 34 34 LEU N N 15 117.587 0.300 . 1 . . . . 34 LEU N . 11336 1 320 . 1 1 35 35 ILE H H 1 8.369 0.030 . 1 . . . . 35 ILE H . 11336 1 321 . 1 1 35 35 ILE HA H 1 4.448 0.030 . 1 . . . . 35 ILE HA . 11336 1 322 . 1 1 35 35 ILE HB H 1 1.860 0.030 . 1 . . . . 35 ILE HB . 11336 1 323 . 1 1 35 35 ILE HD11 H 1 0.636 0.030 . 1 . . . . 35 ILE HD1 . 11336 1 324 . 1 1 35 35 ILE HD12 H 1 0.636 0.030 . 1 . . . . 35 ILE HD1 . 11336 1 325 . 1 1 35 35 ILE HD13 H 1 0.636 0.030 . 1 . . . . 35 ILE HD1 . 11336 1 326 . 1 1 35 35 ILE HG12 H 1 1.241 0.030 . 2 . . . . 35 ILE HG12 . 11336 1 327 . 1 1 35 35 ILE HG13 H 1 1.447 0.030 . 2 . . . . 35 ILE HG13 . 11336 1 328 . 1 1 35 35 ILE HG21 H 1 0.762 0.030 . 1 . . . . 35 ILE HG2 . 11336 1 329 . 1 1 35 35 ILE HG22 H 1 0.762 0.030 . 1 . . . . 35 ILE HG2 . 11336 1 330 . 1 1 35 35 ILE HG23 H 1 0.762 0.030 . 1 . . . . 35 ILE HG2 . 11336 1 331 . 1 1 35 35 ILE C C 13 175.857 0.300 . 1 . . . . 35 ILE C . 11336 1 332 . 1 1 35 35 ILE CA C 13 60.148 0.300 . 1 . . . . 35 ILE CA . 11336 1 333 . 1 1 35 35 ILE CB C 13 37.040 0.300 . 1 . . . . 35 ILE CB . 11336 1 334 . 1 1 35 35 ILE CD1 C 13 12.122 0.300 . 1 . . . . 35 ILE CD1 . 11336 1 335 . 1 1 35 35 ILE CG1 C 13 27.686 0.300 . 1 . . . . 35 ILE CG1 . 11336 1 336 . 1 1 35 35 ILE CG2 C 13 18.216 0.300 . 1 . . . . 35 ILE CG2 . 11336 1 337 . 1 1 35 35 ILE N N 15 120.666 0.300 . 1 . . . . 35 ILE N . 11336 1 338 . 1 1 36 36 VAL H H 1 9.198 0.030 . 1 . . . . 36 VAL H . 11336 1 339 . 1 1 36 36 VAL HA H 1 4.534 0.030 . 1 . . . . 36 VAL HA . 11336 1 340 . 1 1 36 36 VAL HB H 1 2.021 0.030 . 1 . . . . 36 VAL HB . 11336 1 341 . 1 1 36 36 VAL HG11 H 1 0.832 0.030 . 1 . . . . 36 VAL HG1 . 11336 1 342 . 1 1 36 36 VAL HG12 H 1 0.832 0.030 . 1 . . . . 36 VAL HG1 . 11336 1 343 . 1 1 36 36 VAL HG13 H 1 0.832 0.030 . 1 . . . . 36 VAL HG1 . 11336 1 344 . 1 1 36 36 VAL HG21 H 1 0.787 0.030 . 1 . . . . 36 VAL HG2 . 11336 1 345 . 1 1 36 36 VAL HG22 H 1 0.787 0.030 . 1 . . . . 36 VAL HG2 . 11336 1 346 . 1 1 36 36 VAL HG23 H 1 0.787 0.030 . 1 . . . . 36 VAL HG2 . 11336 1 347 . 1 1 36 36 VAL C C 13 173.450 0.300 . 1 . . . . 36 VAL C . 11336 1 348 . 1 1 36 36 VAL CA C 13 60.137 0.300 . 1 . . . . 36 VAL CA . 11336 1 349 . 1 1 36 36 VAL CB C 13 34.926 0.300 . 1 . . . . 36 VAL CB . 11336 1 350 . 1 1 36 36 VAL CG1 C 13 21.749 0.300 . 2 . . . . 36 VAL CG1 . 11336 1 351 . 1 1 36 36 VAL CG2 C 13 19.989 0.300 . 2 . . . . 36 VAL CG2 . 11336 1 352 . 1 1 36 36 VAL N N 15 126.042 0.300 . 1 . . . . 36 VAL N . 11336 1 353 . 1 1 37 37 SER H H 1 8.262 0.030 . 1 . . . . 37 SER H . 11336 1 354 . 1 1 37 37 SER HA H 1 5.573 0.030 . 1 . . . . 37 SER HA . 11336 1 355 . 1 1 37 37 SER HB2 H 1 3.630 0.030 . 2 . . . . 37 SER HB2 . 11336 1 356 . 1 1 37 37 SER HB3 H 1 3.712 0.030 . 2 . . . . 37 SER HB3 . 11336 1 357 . 1 1 37 37 SER C C 13 175.956 0.300 . 1 . . . . 37 SER C . 11336 1 358 . 1 1 37 37 SER CA C 13 55.956 0.300 . 1 . . . . 37 SER CA . 11336 1 359 . 1 1 37 37 SER CB C 13 65.320 0.300 . 1 . . . . 37 SER CB . 11336 1 360 . 1 1 37 37 SER N N 15 115.782 0.300 . 1 . . . . 37 SER N . 11336 1 361 . 1 1 38 38 THR H H 1 9.274 0.030 . 1 . . . . 38 THR H . 11336 1 362 . 1 1 38 38 THR HA H 1 4.811 0.030 . 1 . . . . 38 THR HA . 11336 1 363 . 1 1 38 38 THR HB H 1 4.665 0.030 . 1 . . . . 38 THR HB . 11336 1 364 . 1 1 38 38 THR HG21 H 1 1.543 0.030 . 1 . . . . 38 THR HG2 . 11336 1 365 . 1 1 38 38 THR HG22 H 1 1.543 0.030 . 1 . . . . 38 THR HG2 . 11336 1 366 . 1 1 38 38 THR HG23 H 1 1.543 0.030 . 1 . . . . 38 THR HG2 . 11336 1 367 . 1 1 38 38 THR C C 13 178.405 0.300 . 1 . . . . 38 THR C . 11336 1 368 . 1 1 38 38 THR CA C 13 61.210 0.300 . 1 . . . . 38 THR CA . 11336 1 369 . 1 1 38 38 THR CB C 13 70.996 0.300 . 1 . . . . 38 THR CB . 11336 1 370 . 1 1 38 38 THR CG2 C 13 23.431 0.300 . 1 . . . . 38 THR CG2 . 11336 1 371 . 1 1 38 38 THR N N 15 115.904 0.300 . 1 . . . . 38 THR N . 11336 1 372 . 1 1 39 39 GLU H H 1 7.015 0.030 . 1 . . . . 39 GLU H . 11336 1 373 . 1 1 39 39 GLU HA H 1 4.157 0.030 . 1 . . . . 39 GLU HA . 11336 1 374 . 1 1 39 39 GLU HB2 H 1 2.180 0.030 . 1 . . . . 39 GLU HB2 . 11336 1 375 . 1 1 39 39 GLU HB3 H 1 2.180 0.030 . 1 . . . . 39 GLU HB3 . 11336 1 376 . 1 1 39 39 GLU HG2 H 1 2.371 0.030 . 1 . . . . 39 GLU HG2 . 11336 1 377 . 1 1 39 39 GLU HG3 H 1 2.371 0.030 . 1 . . . . 39 GLU HG3 . 11336 1 378 . 1 1 39 39 GLU C C 13 176.483 0.300 . 1 . . . . 39 GLU C . 11336 1 379 . 1 1 39 39 GLU CA C 13 59.186 0.300 . 1 . . . . 39 GLU CA . 11336 1 380 . 1 1 39 39 GLU CB C 13 29.397 0.300 . 1 . . . . 39 GLU CB . 11336 1 381 . 1 1 39 39 GLU CG C 13 36.475 0.300 . 1 . . . . 39 GLU CG . 11336 1 382 . 1 1 40 40 CYS H H 1 7.713 0.030 . 1 . . . . 40 CYS H . 11336 1 383 . 1 1 40 40 CYS HA H 1 4.514 0.030 . 1 . . . . 40 CYS HA . 11336 1 384 . 1 1 40 40 CYS HB2 H 1 2.749 0.030 . 2 . . . . 40 CYS HB2 . 11336 1 385 . 1 1 40 40 CYS HB3 H 1 3.266 0.030 . 2 . . . . 40 CYS HB3 . 11336 1 386 . 1 1 40 40 CYS C C 13 174.624 0.300 . 1 . . . . 40 CYS C . 11336 1 387 . 1 1 40 40 CYS CA C 13 55.697 0.300 . 1 . . . . 40 CYS CA . 11336 1 388 . 1 1 40 40 CYS CB C 13 29.280 0.300 . 1 . . . . 40 CYS CB . 11336 1 389 . 1 1 40 40 CYS N N 15 113.724 0.300 . 1 . . . . 40 CYS N . 11336 1 390 . 1 1 41 41 GLY H H 1 7.862 0.030 . 1 . . . . 41 GLY H . 11336 1 391 . 1 1 41 41 GLY HA2 H 1 3.543 0.030 . 2 . . . . 41 GLY HA2 . 11336 1 392 . 1 1 41 41 GLY HA3 H 1 3.748 0.030 . 2 . . . . 41 GLY HA3 . 11336 1 393 . 1 1 41 41 GLY C C 13 173.570 0.300 . 1 . . . . 41 GLY C . 11336 1 394 . 1 1 41 41 GLY CA C 13 45.798 0.300 . 1 . . . . 41 GLY CA . 11336 1 395 . 1 1 41 41 GLY N N 15 109.925 0.300 . 1 . . . . 41 GLY N . 11336 1 396 . 1 1 42 42 HIS H H 1 7.825 0.030 . 1 . . . . 42 HIS H . 11336 1 397 . 1 1 42 42 HIS HA H 1 4.803 0.030 . 1 . . . . 42 HIS HA . 11336 1 398 . 1 1 42 42 HIS HB2 H 1 3.201 0.030 . 1 . . . . 42 HIS HB2 . 11336 1 399 . 1 1 42 42 HIS HB3 H 1 3.201 0.030 . 1 . . . . 42 HIS HB3 . 11336 1 400 . 1 1 42 42 HIS HD2 H 1 7.272 0.030 . 1 . . . . 42 HIS HD2 . 11336 1 401 . 1 1 42 42 HIS HE1 H 1 7.853 0.030 . 1 . . . . 42 HIS HE1 . 11336 1 402 . 1 1 42 42 HIS C C 13 172.556 0.300 . 1 . . . . 42 HIS C . 11336 1 403 . 1 1 42 42 HIS CA C 13 58.266 0.300 . 1 . . . . 42 HIS CA . 11336 1 404 . 1 1 42 42 HIS CB C 13 32.017 0.300 . 1 . . . . 42 HIS CB . 11336 1 405 . 1 1 42 42 HIS CD2 C 13 118.993 0.300 . 1 . . . . 42 HIS CD2 . 11336 1 406 . 1 1 42 42 HIS CE1 C 13 139.327 0.300 . 1 . . . . 42 HIS CE1 . 11336 1 407 . 1 1 42 42 HIS N N 15 121.652 0.300 . 1 . . . . 42 HIS N . 11336 1 408 . 1 1 43 43 VAL H H 1 7.490 0.030 . 1 . . . . 43 VAL H . 11336 1 409 . 1 1 43 43 VAL HA H 1 4.976 0.030 . 1 . . . . 43 VAL HA . 11336 1 410 . 1 1 43 43 VAL HB H 1 1.738 0.030 . 1 . . . . 43 VAL HB . 11336 1 411 . 1 1 43 43 VAL HG11 H 1 0.775 0.030 . 1 . . . . 43 VAL HG1 . 11336 1 412 . 1 1 43 43 VAL HG12 H 1 0.775 0.030 . 1 . . . . 43 VAL HG1 . 11336 1 413 . 1 1 43 43 VAL HG13 H 1 0.775 0.030 . 1 . . . . 43 VAL HG1 . 11336 1 414 . 1 1 43 43 VAL HG21 H 1 0.810 0.030 . 1 . . . . 43 VAL HG2 . 11336 1 415 . 1 1 43 43 VAL HG22 H 1 0.810 0.030 . 1 . . . . 43 VAL HG2 . 11336 1 416 . 1 1 43 43 VAL HG23 H 1 0.810 0.030 . 1 . . . . 43 VAL HG2 . 11336 1 417 . 1 1 43 43 VAL C C 13 174.274 0.300 . 1 . . . . 43 VAL C . 11336 1 418 . 1 1 43 43 VAL CA C 13 61.286 0.300 . 1 . . . . 43 VAL CA . 11336 1 419 . 1 1 43 43 VAL CB C 13 33.966 0.300 . 1 . . . . 43 VAL CB . 11336 1 420 . 1 1 43 43 VAL CG1 C 13 21.749 0.300 . 2 . . . . 43 VAL CG1 . 11336 1 421 . 1 1 43 43 VAL CG2 C 13 21.058 0.300 . 2 . . . . 43 VAL CG2 . 11336 1 422 . 1 1 43 43 VAL N N 15 121.335 0.300 . 1 . . . . 43 VAL N . 11336 1 423 . 1 1 44 44 PHE H H 1 8.574 0.030 . 1 . . . . 44 PHE H . 11336 1 424 . 1 1 44 44 PHE HA H 1 5.168 0.030 . 1 . . . . 44 PHE HA . 11336 1 425 . 1 1 44 44 PHE HB2 H 1 3.559 0.030 . 2 . . . . 44 PHE HB2 . 11336 1 426 . 1 1 44 44 PHE HB3 H 1 2.398 0.030 . 2 . . . . 44 PHE HB3 . 11336 1 427 . 1 1 44 44 PHE HD1 H 1 7.141 0.030 . 1 . . . . 44 PHE HD1 . 11336 1 428 . 1 1 44 44 PHE HD2 H 1 7.141 0.030 . 1 . . . . 44 PHE HD2 . 11336 1 429 . 1 1 44 44 PHE HE1 H 1 7.298 0.030 . 1 . . . . 44 PHE HE1 . 11336 1 430 . 1 1 44 44 PHE HE2 H 1 7.298 0.030 . 1 . . . . 44 PHE HE2 . 11336 1 431 . 1 1 44 44 PHE HZ H 1 7.508 0.030 . 1 . . . . 44 PHE HZ . 11336 1 432 . 1 1 44 44 PHE C C 13 175.122 0.300 . 1 . . . . 44 PHE C . 11336 1 433 . 1 1 44 44 PHE CA C 13 56.106 0.300 . 1 . . . . 44 PHE CA . 11336 1 434 . 1 1 44 44 PHE CB C 13 46.812 0.300 . 1 . . . . 44 PHE CB . 11336 1 435 . 1 1 44 44 PHE CD1 C 13 132.731 0.300 . 1 . . . . 44 PHE CD1 . 11336 1 436 . 1 1 44 44 PHE CD2 C 13 132.731 0.300 . 1 . . . . 44 PHE CD2 . 11336 1 437 . 1 1 44 44 PHE CE1 C 13 130.927 0.300 . 1 . . . . 44 PHE CE1 . 11336 1 438 . 1 1 44 44 PHE CE2 C 13 130.927 0.300 . 1 . . . . 44 PHE CE2 . 11336 1 439 . 1 1 44 44 PHE CZ C 13 130.899 0.300 . 1 . . . . 44 PHE CZ . 11336 1 440 . 1 1 44 44 PHE N N 15 119.959 0.300 . 1 . . . . 44 PHE N . 11336 1 441 . 1 1 45 45 CYS H H 1 9.857 0.030 . 1 . . . . 45 CYS H . 11336 1 442 . 1 1 45 45 CYS HA H 1 5.792 0.030 . 1 . . . . 45 CYS HA . 11336 1 443 . 1 1 45 45 CYS HB2 H 1 2.905 0.030 . 2 . . . . 45 CYS HB2 . 11336 1 444 . 1 1 45 45 CYS HB3 H 1 3.289 0.030 . 2 . . . . 45 CYS HB3 . 11336 1 445 . 1 1 45 45 CYS C C 13 177.189 0.300 . 1 . . . . 45 CYS C . 11336 1 446 . 1 1 45 45 CYS CA C 13 57.882 0.300 . 1 . . . . 45 CYS CA . 11336 1 447 . 1 1 45 45 CYS CB C 13 32.172 0.300 . 1 . . . . 45 CYS CB . 11336 1 448 . 1 1 45 45 CYS N N 15 116.638 0.300 . 1 . . . . 45 CYS N . 11336 1 449 . 1 1 46 46 SER H H 1 9.221 0.030 . 1 . . . . 46 SER H . 11336 1 450 . 1 1 46 46 SER HA H 1 3.881 0.030 . 1 . . . . 46 SER HA . 11336 1 451 . 1 1 46 46 SER HB2 H 1 3.870 0.030 . 2 . . . . 46 SER HB2 . 11336 1 452 . 1 1 46 46 SER HB3 H 1 3.991 0.030 . 2 . . . . 46 SER HB3 . 11336 1 453 . 1 1 46 46 SER C C 13 176.826 0.300 . 1 . . . . 46 SER C . 11336 1 454 . 1 1 46 46 SER CA C 13 60.783 0.300 . 1 . . . . 46 SER CA . 11336 1 455 . 1 1 46 46 SER CB C 13 61.557 0.300 . 1 . . . . 46 SER CB . 11336 1 456 . 1 1 46 46 SER N N 15 113.645 0.300 . 1 . . . . 46 SER N . 11336 1 457 . 1 1 47 47 GLN H H 1 7.235 0.030 . 1 . . . . 47 GLN H . 11336 1 458 . 1 1 47 47 GLN HA H 1 4.072 0.030 . 1 . . . . 47 GLN HA . 11336 1 459 . 1 1 47 47 GLN HB2 H 1 2.337 0.030 . 2 . . . . 47 GLN HB2 . 11336 1 460 . 1 1 47 47 GLN HB3 H 1 2.072 0.030 . 2 . . . . 47 GLN HB3 . 11336 1 461 . 1 1 47 47 GLN HE21 H 1 7.800 0.030 . 2 . . . . 47 GLN HE21 . 11336 1 462 . 1 1 47 47 GLN HE22 H 1 6.872 0.030 . 2 . . . . 47 GLN HE22 . 11336 1 463 . 1 1 47 47 GLN HG2 H 1 2.299 0.030 . 2 . . . . 47 GLN HG2 . 11336 1 464 . 1 1 47 47 GLN HG3 H 1 2.362 0.030 . 2 . . . . 47 GLN HG3 . 11336 1 465 . 1 1 47 47 GLN C C 13 176.949 0.300 . 1 . . . . 47 GLN C . 11336 1 466 . 1 1 47 47 GLN CA C 13 58.869 0.300 . 1 . . . . 47 GLN CA . 11336 1 467 . 1 1 47 47 GLN CB C 13 29.920 0.300 . 1 . . . . 47 GLN CB . 11336 1 468 . 1 1 47 47 GLN CG C 13 33.818 0.300 . 1 . . . . 47 GLN CG . 11336 1 469 . 1 1 47 47 GLN N N 15 123.348 0.300 . 1 . . . . 47 GLN N . 11336 1 470 . 1 1 47 47 GLN NE2 N 15 114.327 0.300 . 1 . . . . 47 GLN NE2 . 11336 1 471 . 1 1 48 48 CYS H H 1 8.997 0.030 . 1 . . . . 48 CYS H . 11336 1 472 . 1 1 48 48 CYS HA H 1 3.977 0.030 . 1 . . . . 48 CYS HA . 11336 1 473 . 1 1 48 48 CYS HB2 H 1 3.043 0.030 . 2 . . . . 48 CYS HB2 . 11336 1 474 . 1 1 48 48 CYS HB3 H 1 2.834 0.030 . 2 . . . . 48 CYS HB3 . 11336 1 475 . 1 1 48 48 CYS C C 13 179.761 0.300 . 1 . . . . 48 CYS C . 11336 1 476 . 1 1 48 48 CYS CA C 13 64.762 0.300 . 1 . . . . 48 CYS CA . 11336 1 477 . 1 1 48 48 CYS CB C 13 29.981 0.300 . 1 . . . . 48 CYS CB . 11336 1 478 . 1 1 48 48 CYS N N 15 123.085 0.300 . 1 . . . . 48 CYS N . 11336 1 479 . 1 1 49 49 LEU H H 1 8.131 0.030 . 1 . . . . 49 LEU H . 11336 1 480 . 1 1 49 49 LEU HA H 1 3.767 0.030 . 1 . . . . 49 LEU HA . 11336 1 481 . 1 1 49 49 LEU HB2 H 1 1.727 0.030 . 2 . . . . 49 LEU HB2 . 11336 1 482 . 1 1 49 49 LEU HB3 H 1 1.178 0.030 . 2 . . . . 49 LEU HB3 . 11336 1 483 . 1 1 49 49 LEU HD11 H 1 0.375 0.030 . 1 . . . . 49 LEU HD1 . 11336 1 484 . 1 1 49 49 LEU HD12 H 1 0.375 0.030 . 1 . . . . 49 LEU HD1 . 11336 1 485 . 1 1 49 49 LEU HD13 H 1 0.375 0.030 . 1 . . . . 49 LEU HD1 . 11336 1 486 . 1 1 49 49 LEU HD21 H 1 0.699 0.030 . 1 . . . . 49 LEU HD2 . 11336 1 487 . 1 1 49 49 LEU HD22 H 1 0.699 0.030 . 1 . . . . 49 LEU HD2 . 11336 1 488 . 1 1 49 49 LEU HD23 H 1 0.699 0.030 . 1 . . . . 49 LEU HD2 . 11336 1 489 . 1 1 49 49 LEU HG H 1 1.424 0.030 . 1 . . . . 49 LEU HG . 11336 1 490 . 1 1 49 49 LEU C C 13 177.446 0.300 . 1 . . . . 49 LEU C . 11336 1 491 . 1 1 49 49 LEU CA C 13 57.926 0.300 . 1 . . . . 49 LEU CA . 11336 1 492 . 1 1 49 49 LEU CB C 13 41.352 0.300 . 1 . . . . 49 LEU CB . 11336 1 493 . 1 1 49 49 LEU CD1 C 13 21.888 0.300 . 2 . . . . 49 LEU CD1 . 11336 1 494 . 1 1 49 49 LEU CD2 C 13 26.031 0.300 . 2 . . . . 49 LEU CD2 . 11336 1 495 . 1 1 49 49 LEU CG C 13 26.659 0.300 . 1 . . . . 49 LEU CG . 11336 1 496 . 1 1 49 49 LEU N N 15 119.426 0.300 . 1 . . . . 49 LEU N . 11336 1 497 . 1 1 50 50 ARG H H 1 7.612 0.030 . 1 . . . . 50 ARG H . 11336 1 498 . 1 1 50 50 ARG HA H 1 3.861 0.030 . 1 . . . . 50 ARG HA . 11336 1 499 . 1 1 50 50 ARG HB2 H 1 1.971 0.030 . 1 . . . . 50 ARG HB2 . 11336 1 500 . 1 1 50 50 ARG HB3 H 1 1.971 0.030 . 1 . . . . 50 ARG HB3 . 11336 1 501 . 1 1 50 50 ARG HD2 H 1 3.200 0.030 . 1 . . . . 50 ARG HD2 . 11336 1 502 . 1 1 50 50 ARG HD3 H 1 3.200 0.030 . 1 . . . . 50 ARG HD3 . 11336 1 503 . 1 1 50 50 ARG HG2 H 1 1.770 0.030 . 2 . . . . 50 ARG HG2 . 11336 1 504 . 1 1 50 50 ARG HG3 H 1 1.558 0.030 . 2 . . . . 50 ARG HG3 . 11336 1 505 . 1 1 50 50 ARG C C 13 179.403 0.300 . 1 . . . . 50 ARG C . 11336 1 506 . 1 1 50 50 ARG CA C 13 59.732 0.300 . 1 . . . . 50 ARG CA . 11336 1 507 . 1 1 50 50 ARG CB C 13 29.726 0.300 . 1 . . . . 50 ARG CB . 11336 1 508 . 1 1 50 50 ARG CD C 13 43.542 0.300 . 1 . . . . 50 ARG CD . 11336 1 509 . 1 1 50 50 ARG CG C 13 27.213 0.300 . 1 . . . . 50 ARG CG . 11336 1 510 . 1 1 50 50 ARG N N 15 118.242 0.300 . 1 . . . . 50 ARG N . 11336 1 511 . 1 1 51 51 ASP H H 1 8.283 0.030 . 1 . . . . 51 ASP H . 11336 1 512 . 1 1 51 51 ASP HA H 1 4.365 0.030 . 1 . . . . 51 ASP HA . 11336 1 513 . 1 1 51 51 ASP HB2 H 1 2.712 0.030 . 2 . . . . 51 ASP HB2 . 11336 1 514 . 1 1 51 51 ASP HB3 H 1 2.625 0.030 . 2 . . . . 51 ASP HB3 . 11336 1 515 . 1 1 51 51 ASP C C 13 178.926 0.300 . 1 . . . . 51 ASP C . 11336 1 516 . 1 1 51 51 ASP CA C 13 57.339 0.300 . 1 . . . . 51 ASP CA . 11336 1 517 . 1 1 51 51 ASP CB C 13 40.027 0.300 . 1 . . . . 51 ASP CB . 11336 1 518 . 1 1 51 51 ASP N N 15 118.541 0.300 . 1 . . . . 51 ASP N . 11336 1 519 . 1 1 52 52 SER H H 1 7.918 0.030 . 1 . . . . 52 SER H . 11336 1 520 . 1 1 52 52 SER HA H 1 4.249 0.030 . 1 . . . . 52 SER HA . 11336 1 521 . 1 1 52 52 SER HB2 H 1 3.814 0.030 . 2 . . . . 52 SER HB2 . 11336 1 522 . 1 1 52 52 SER HB3 H 1 3.945 0.030 . 2 . . . . 52 SER HB3 . 11336 1 523 . 1 1 52 52 SER C C 13 177.378 0.300 . 1 . . . . 52 SER C . 11336 1 524 . 1 1 52 52 SER CA C 13 62.052 0.300 . 1 . . . . 52 SER CA . 11336 1 525 . 1 1 52 52 SER CB C 13 63.102 0.300 . 1 . . . . 52 SER CB . 11336 1 526 . 1 1 52 52 SER N N 15 116.504 0.300 . 1 . . . . 52 SER N . 11336 1 527 . 1 1 53 53 LEU H H 1 8.110 0.030 . 1 . . . . 53 LEU H . 11336 1 528 . 1 1 53 53 LEU HA H 1 4.737 0.030 . 1 . . . . 53 LEU HA . 11336 1 529 . 1 1 53 53 LEU HB2 H 1 1.740 0.030 . 2 . . . . 53 LEU HB2 . 11336 1 530 . 1 1 53 53 LEU HB3 H 1 1.469 0.030 . 2 . . . . 53 LEU HB3 . 11336 1 531 . 1 1 53 53 LEU HD11 H 1 0.758 0.030 . 1 . . . . 53 LEU HD1 . 11336 1 532 . 1 1 53 53 LEU HD12 H 1 0.758 0.030 . 1 . . . . 53 LEU HD1 . 11336 1 533 . 1 1 53 53 LEU HD13 H 1 0.758 0.030 . 1 . . . . 53 LEU HD1 . 11336 1 534 . 1 1 53 53 LEU HD21 H 1 0.704 0.030 . 1 . . . . 53 LEU HD2 . 11336 1 535 . 1 1 53 53 LEU HD22 H 1 0.704 0.030 . 1 . . . . 53 LEU HD2 . 11336 1 536 . 1 1 53 53 LEU HD23 H 1 0.704 0.030 . 1 . . . . 53 LEU HD2 . 11336 1 537 . 1 1 53 53 LEU HG H 1 1.736 0.030 . 1 . . . . 53 LEU HG . 11336 1 538 . 1 1 53 53 LEU C C 13 178.305 0.300 . 1 . . . . 53 LEU C . 11336 1 539 . 1 1 53 53 LEU CA C 13 55.801 0.300 . 1 . . . . 53 LEU CA . 11336 1 540 . 1 1 53 53 LEU CB C 13 41.385 0.300 . 1 . . . . 53 LEU CB . 11336 1 541 . 1 1 53 53 LEU CD1 C 13 22.482 0.300 . 2 . . . . 53 LEU CD1 . 11336 1 542 . 1 1 53 53 LEU CD2 C 13 26.054 0.300 . 2 . . . . 53 LEU CD2 . 11336 1 543 . 1 1 53 53 LEU CG C 13 26.818 0.300 . 1 . . . . 53 LEU CG . 11336 1 544 . 1 1 53 53 LEU N N 15 121.020 0.300 . 1 . . . . 53 LEU N . 11336 1 545 . 1 1 54 54 LYS H H 1 7.310 0.030 . 1 . . . . 54 LYS H . 11336 1 546 . 1 1 54 54 LYS HA H 1 4.045 0.030 . 1 . . . . 54 LYS HA . 11336 1 547 . 1 1 54 54 LYS HB2 H 1 1.846 0.030 . 1 . . . . 54 LYS HB2 . 11336 1 548 . 1 1 54 54 LYS HB3 H 1 1.846 0.030 . 1 . . . . 54 LYS HB3 . 11336 1 549 . 1 1 54 54 LYS HD2 H 1 1.703 0.030 . 1 . . . . 54 LYS HD2 . 11336 1 550 . 1 1 54 54 LYS HD3 H 1 1.703 0.030 . 1 . . . . 54 LYS HD3 . 11336 1 551 . 1 1 54 54 LYS HE2 H 1 2.968 0.030 . 1 . . . . 54 LYS HE2 . 11336 1 552 . 1 1 54 54 LYS HE3 H 1 2.968 0.030 . 1 . . . . 54 LYS HE3 . 11336 1 553 . 1 1 54 54 LYS HG2 H 1 1.637 0.030 . 2 . . . . 54 LYS HG2 . 11336 1 554 . 1 1 54 54 LYS HG3 H 1 1.430 0.030 . 2 . . . . 54 LYS HG3 . 11336 1 555 . 1 1 54 54 LYS C C 13 177.495 0.300 . 1 . . . . 54 LYS C . 11336 1 556 . 1 1 54 54 LYS CA C 13 58.701 0.300 . 1 . . . . 54 LYS CA . 11336 1 557 . 1 1 54 54 LYS CB C 13 32.433 0.300 . 1 . . . . 54 LYS CB . 11336 1 558 . 1 1 54 54 LYS CD C 13 29.375 0.300 . 1 . . . . 54 LYS CD . 11336 1 559 . 1 1 54 54 LYS CE C 13 42.122 0.300 . 1 . . . . 54 LYS CE . 11336 1 560 . 1 1 54 54 LYS CG C 13 25.057 0.300 . 1 . . . . 54 LYS CG . 11336 1 561 . 1 1 54 54 LYS N N 15 117.957 0.300 . 1 . . . . 54 LYS N . 11336 1 562 . 1 1 55 55 ASN H H 1 7.639 0.030 . 1 . . . . 55 ASN H . 11336 1 563 . 1 1 55 55 ASN HA H 1 4.796 0.030 . 1 . . . . 55 ASN HA . 11336 1 564 . 1 1 55 55 ASN HB2 H 1 2.865 0.030 . 2 . . . . 55 ASN HB2 . 11336 1 565 . 1 1 55 55 ASN HB3 H 1 2.773 0.030 . 2 . . . . 55 ASN HB3 . 11336 1 566 . 1 1 55 55 ASN HD21 H 1 6.920 0.030 . 2 . . . . 55 ASN HD21 . 11336 1 567 . 1 1 55 55 ASN HD22 H 1 7.671 0.030 . 2 . . . . 55 ASN HD22 . 11336 1 568 . 1 1 55 55 ASN C C 13 174.540 0.300 . 1 . . . . 55 ASN C . 11336 1 569 . 1 1 55 55 ASN CA C 13 53.785 0.300 . 1 . . . . 55 ASN CA . 11336 1 570 . 1 1 55 55 ASN CB C 13 40.264 0.300 . 1 . . . . 55 ASN CB . 11336 1 571 . 1 1 55 55 ASN N N 15 114.654 0.300 . 1 . . . . 55 ASN N . 11336 1 572 . 1 1 55 55 ASN ND2 N 15 114.257 0.300 . 1 . . . . 55 ASN ND2 . 11336 1 573 . 1 1 56 56 ALA H H 1 7.896 0.030 . 1 . . . . 56 ALA H . 11336 1 574 . 1 1 56 56 ALA HA H 1 4.490 0.030 . 1 . . . . 56 ALA HA . 11336 1 575 . 1 1 56 56 ALA HB1 H 1 1.394 0.030 . 1 . . . . 56 ALA HB . 11336 1 576 . 1 1 56 56 ALA HB2 H 1 1.394 0.030 . 1 . . . . 56 ALA HB . 11336 1 577 . 1 1 56 56 ALA HB3 H 1 1.394 0.030 . 1 . . . . 56 ALA HB . 11336 1 578 . 1 1 56 56 ALA C C 13 176.421 0.300 . 1 . . . . 56 ALA C . 11336 1 579 . 1 1 56 56 ALA CA C 13 52.389 0.300 . 1 . . . . 56 ALA CA . 11336 1 580 . 1 1 56 56 ALA CB C 13 21.497 0.300 . 1 . . . . 56 ALA CB . 11336 1 581 . 1 1 56 56 ALA N N 15 121.067 0.300 . 1 . . . . 56 ALA N . 11336 1 582 . 1 1 57 57 ASN HA H 1 4.847 0.030 . 1 . . . . 57 ASN HA . 11336 1 583 . 1 1 57 57 ASN HB2 H 1 2.943 0.030 . 2 . . . . 57 ASN HB2 . 11336 1 584 . 1 1 57 57 ASN HB3 H 1 3.009 0.030 . 2 . . . . 57 ASN HB3 . 11336 1 585 . 1 1 57 57 ASN HD21 H 1 7.539 0.030 . 2 . . . . 57 ASN HD21 . 11336 1 586 . 1 1 57 57 ASN HD22 H 1 6.819 0.030 . 2 . . . . 57 ASN HD22 . 11336 1 587 . 1 1 57 57 ASN C C 13 174.417 0.300 . 1 . . . . 57 ASN C . 11336 1 588 . 1 1 57 57 ASN CA C 13 52.582 0.300 . 1 . . . . 57 ASN CA . 11336 1 589 . 1 1 57 57 ASN CB C 13 37.629 0.300 . 1 . . . . 57 ASN CB . 11336 1 590 . 1 1 57 57 ASN ND2 N 15 110.999 0.300 . 1 . . . . 57 ASN ND2 . 11336 1 591 . 1 1 58 58 THR H H 1 7.128 0.030 . 1 . . . . 58 THR H . 11336 1 592 . 1 1 58 58 THR HA H 1 4.753 0.030 . 1 . . . . 58 THR HA . 11336 1 593 . 1 1 58 58 THR HB H 1 3.633 0.030 . 1 . . . . 58 THR HB . 11336 1 594 . 1 1 58 58 THR HG21 H 1 0.956 0.030 . 1 . . . . 58 THR HG2 . 11336 1 595 . 1 1 58 58 THR HG22 H 1 0.956 0.030 . 1 . . . . 58 THR HG2 . 11336 1 596 . 1 1 58 58 THR HG23 H 1 0.956 0.030 . 1 . . . . 58 THR HG2 . 11336 1 597 . 1 1 58 58 THR C C 13 173.510 0.300 . 1 . . . . 58 THR C . 11336 1 598 . 1 1 58 58 THR CA C 13 58.346 0.300 . 1 . . . . 58 THR CA . 11336 1 599 . 1 1 58 58 THR CB C 13 71.825 0.300 . 1 . . . . 58 THR CB . 11336 1 600 . 1 1 58 58 THR CG2 C 13 22.063 0.300 . 1 . . . . 58 THR CG2 . 11336 1 601 . 1 1 58 58 THR N N 15 106.800 0.300 . 1 . . . . 58 THR N . 11336 1 602 . 1 1 59 59 CYS H H 1 9.055 0.030 . 1 . . . . 59 CYS H . 11336 1 603 . 1 1 59 59 CYS HA H 1 4.260 0.030 . 1 . . . . 59 CYS HA . 11336 1 604 . 1 1 59 59 CYS HB2 H 1 3.064 0.030 . 2 . . . . 59 CYS HB2 . 11336 1 605 . 1 1 59 59 CYS HB3 H 1 3.198 0.030 . 2 . . . . 59 CYS HB3 . 11336 1 606 . 1 1 59 59 CYS C C 13 176.700 0.300 . 1 . . . . 59 CYS C . 11336 1 607 . 1 1 59 59 CYS CA C 13 57.337 0.300 . 1 . . . . 59 CYS CA . 11336 1 608 . 1 1 59 59 CYS CB C 13 31.563 0.300 . 1 . . . . 59 CYS CB . 11336 1 609 . 1 1 59 59 CYS N N 15 125.092 0.300 . 1 . . . . 59 CYS N . 11336 1 610 . 1 1 60 60 PRO HA H 1 4.201 0.030 . 1 . . . . 60 PRO HA . 11336 1 611 . 1 1 60 60 PRO HB2 H 1 1.873 0.030 . 2 . . . . 60 PRO HB2 . 11336 1 612 . 1 1 60 60 PRO HB3 H 1 2.359 0.030 . 2 . . . . 60 PRO HB3 . 11336 1 613 . 1 1 60 60 PRO HD2 H 1 3.378 0.030 . 2 . . . . 60 PRO HD2 . 11336 1 614 . 1 1 60 60 PRO HD3 H 1 3.741 0.030 . 2 . . . . 60 PRO HD3 . 11336 1 615 . 1 1 60 60 PRO HG2 H 1 1.737 0.030 . 2 . . . . 60 PRO HG2 . 11336 1 616 . 1 1 60 60 PRO HG3 H 1 1.185 0.030 . 2 . . . . 60 PRO HG3 . 11336 1 617 . 1 1 60 60 PRO C C 13 177.030 0.300 . 1 . . . . 60 PRO C . 11336 1 618 . 1 1 60 60 PRO CA C 13 64.752 0.300 . 1 . . . . 60 PRO CA . 11336 1 619 . 1 1 60 60 PRO CB C 13 32.590 0.300 . 1 . . . . 60 PRO CB . 11336 1 620 . 1 1 60 60 PRO CD C 13 50.760 0.300 . 1 . . . . 60 PRO CD . 11336 1 621 . 1 1 60 60 PRO CG C 13 26.662 0.300 . 1 . . . . 60 PRO CG . 11336 1 622 . 1 1 61 61 THR H H 1 9.096 0.030 . 1 . . . . 61 THR H . 11336 1 623 . 1 1 61 61 THR HA H 1 4.243 0.030 . 1 . . . . 61 THR HA . 11336 1 624 . 1 1 61 61 THR HB H 1 3.447 0.030 . 1 . . . . 61 THR HB . 11336 1 625 . 1 1 61 61 THR HG21 H 1 0.620 0.030 . 1 . . . . 61 THR HG2 . 11336 1 626 . 1 1 61 61 THR HG22 H 1 0.620 0.030 . 1 . . . . 61 THR HG2 . 11336 1 627 . 1 1 61 61 THR HG23 H 1 0.620 0.030 . 1 . . . . 61 THR HG2 . 11336 1 628 . 1 1 61 61 THR C C 13 177.795 0.300 . 1 . . . . 61 THR C . 11336 1 629 . 1 1 61 61 THR CA C 13 65.382 0.300 . 1 . . . . 61 THR CA . 11336 1 630 . 1 1 61 61 THR CB C 13 69.302 0.300 . 1 . . . . 61 THR CB . 11336 1 631 . 1 1 61 61 THR CG2 C 13 21.216 0.300 . 1 . . . . 61 THR CG2 . 11336 1 632 . 1 1 61 61 THR N N 15 115.967 0.300 . 1 . . . . 61 THR N . 11336 1 633 . 1 1 62 62 CYS H H 1 8.221 0.030 . 1 . . . . 62 CYS H . 11336 1 634 . 1 1 62 62 CYS HA H 1 4.932 0.030 . 1 . . . . 62 CYS HA . 11336 1 635 . 1 1 62 62 CYS HB2 H 1 3.322 0.030 . 2 . . . . 62 CYS HB2 . 11336 1 636 . 1 1 62 62 CYS HB3 H 1 2.453 0.030 . 2 . . . . 62 CYS HB3 . 11336 1 637 . 1 1 62 62 CYS C C 13 175.932 0.300 . 1 . . . . 62 CYS C . 11336 1 638 . 1 1 62 62 CYS CA C 13 58.803 0.300 . 1 . . . . 62 CYS CA . 11336 1 639 . 1 1 62 62 CYS CB C 13 32.601 0.300 . 1 . . . . 62 CYS CB . 11336 1 640 . 1 1 62 62 CYS N N 15 120.307 0.300 . 1 . . . . 62 CYS N . 11336 1 641 . 1 1 63 63 ARG H H 1 8.297 0.030 . 1 . . . . 63 ARG H . 11336 1 642 . 1 1 63 63 ARG HA H 1 4.007 0.030 . 1 . . . . 63 ARG HA . 11336 1 643 . 1 1 63 63 ARG HB2 H 1 2.046 0.030 . 2 . . . . 63 ARG HB2 . 11336 1 644 . 1 1 63 63 ARG HB3 H 1 2.118 0.030 . 2 . . . . 63 ARG HB3 . 11336 1 645 . 1 1 63 63 ARG HD2 H 1 3.136 0.030 . 2 . . . . 63 ARG HD2 . 11336 1 646 . 1 1 63 63 ARG HD3 H 1 3.037 0.030 . 2 . . . . 63 ARG HD3 . 11336 1 647 . 1 1 63 63 ARG HG2 H 1 1.512 0.030 . 2 . . . . 63 ARG HG2 . 11336 1 648 . 1 1 63 63 ARG HG3 H 1 1.466 0.030 . 2 . . . . 63 ARG HG3 . 11336 1 649 . 1 1 63 63 ARG C C 13 174.635 0.300 . 1 . . . . 63 ARG C . 11336 1 650 . 1 1 63 63 ARG CA C 13 57.982 0.300 . 1 . . . . 63 ARG CA . 11336 1 651 . 1 1 63 63 ARG CB C 13 27.037 0.300 . 1 . . . . 63 ARG CB . 11336 1 652 . 1 1 63 63 ARG CD C 13 43.023 0.300 . 1 . . . . 63 ARG CD . 11336 1 653 . 1 1 63 63 ARG CG C 13 27.420 0.300 . 1 . . . . 63 ARG CG . 11336 1 654 . 1 1 63 63 ARG N N 15 117.465 0.300 . 1 . . . . 63 ARG N . 11336 1 655 . 1 1 64 64 LYS H H 1 8.039 0.030 . 1 . . . . 64 LYS H . 11336 1 656 . 1 1 64 64 LYS HA H 1 4.259 0.030 . 1 . . . . 64 LYS HA . 11336 1 657 . 1 1 64 64 LYS HB2 H 1 1.956 0.030 . 2 . . . . 64 LYS HB2 . 11336 1 658 . 1 1 64 64 LYS HB3 H 1 1.810 0.030 . 2 . . . . 64 LYS HB3 . 11336 1 659 . 1 1 64 64 LYS HD2 H 1 1.669 0.030 . 1 . . . . 64 LYS HD2 . 11336 1 660 . 1 1 64 64 LYS HD3 H 1 1.669 0.030 . 1 . . . . 64 LYS HD3 . 11336 1 661 . 1 1 64 64 LYS HE2 H 1 3.048 0.030 . 1 . . . . 64 LYS HE2 . 11336 1 662 . 1 1 64 64 LYS HE3 H 1 3.048 0.030 . 1 . . . . 64 LYS HE3 . 11336 1 663 . 1 1 64 64 LYS HG2 H 1 1.669 0.030 . 2 . . . . 64 LYS HG2 . 11336 1 664 . 1 1 64 64 LYS HG3 H 1 1.512 0.030 . 2 . . . . 64 LYS HG3 . 11336 1 665 . 1 1 64 64 LYS C C 13 176.811 0.300 . 1 . . . . 64 LYS C . 11336 1 666 . 1 1 64 64 LYS CA C 13 57.396 0.300 . 1 . . . . 64 LYS CA . 11336 1 667 . 1 1 64 64 LYS CB C 13 33.741 0.300 . 1 . . . . 64 LYS CB . 11336 1 668 . 1 1 64 64 LYS CD C 13 29.225 0.300 . 1 . . . . 64 LYS CD . 11336 1 669 . 1 1 64 64 LYS CE C 13 42.239 0.300 . 1 . . . . 64 LYS CE . 11336 1 670 . 1 1 64 64 LYS CG C 13 26.331 0.300 . 1 . . . . 64 LYS CG . 11336 1 671 . 1 1 64 64 LYS N N 15 121.196 0.300 . 1 . . . . 64 LYS N . 11336 1 672 . 1 1 65 65 LYS H H 1 8.519 0.030 . 1 . . . . 65 LYS H . 11336 1 673 . 1 1 65 65 LYS HA H 1 4.224 0.030 . 1 . . . . 65 LYS HA . 11336 1 674 . 1 1 65 65 LYS HB2 H 1 1.734 0.030 . 1 . . . . 65 LYS HB2 . 11336 1 675 . 1 1 65 65 LYS HB3 H 1 1.734 0.030 . 1 . . . . 65 LYS HB3 . 11336 1 676 . 1 1 65 65 LYS HD2 H 1 1.665 0.030 . 1 . . . . 65 LYS HD2 . 11336 1 677 . 1 1 65 65 LYS HD3 H 1 1.665 0.030 . 1 . . . . 65 LYS HD3 . 11336 1 678 . 1 1 65 65 LYS HE2 H 1 2.966 0.030 . 1 . . . . 65 LYS HE2 . 11336 1 679 . 1 1 65 65 LYS HE3 H 1 2.966 0.030 . 1 . . . . 65 LYS HE3 . 11336 1 680 . 1 1 65 65 LYS HG2 H 1 1.278 0.030 . 2 . . . . 65 LYS HG2 . 11336 1 681 . 1 1 65 65 LYS HG3 H 1 1.441 0.030 . 2 . . . . 65 LYS HG3 . 11336 1 682 . 1 1 65 65 LYS C C 13 176.730 0.300 . 1 . . . . 65 LYS C . 11336 1 683 . 1 1 65 65 LYS CA C 13 57.827 0.300 . 1 . . . . 65 LYS CA . 11336 1 684 . 1 1 65 65 LYS CB C 13 32.417 0.300 . 1 . . . . 65 LYS CB . 11336 1 685 . 1 1 65 65 LYS CD C 13 29.147 0.300 . 1 . . . . 65 LYS CD . 11336 1 686 . 1 1 65 65 LYS CE C 13 42.156 0.300 . 1 . . . . 65 LYS CE . 11336 1 687 . 1 1 65 65 LYS CG C 13 25.018 0.300 . 1 . . . . 65 LYS CG . 11336 1 688 . 1 1 65 65 LYS N N 15 123.217 0.300 . 1 . . . . 65 LYS N . 11336 1 689 . 1 1 66 66 ILE H H 1 8.198 0.030 . 1 . . . . 66 ILE H . 11336 1 690 . 1 1 66 66 ILE HA H 1 4.451 0.030 . 1 . . . . 66 ILE HA . 11336 1 691 . 1 1 66 66 ILE HB H 1 1.876 0.030 . 1 . . . . 66 ILE HB . 11336 1 692 . 1 1 66 66 ILE HD11 H 1 0.803 0.030 . 1 . . . . 66 ILE HD1 . 11336 1 693 . 1 1 66 66 ILE HD12 H 1 0.803 0.030 . 1 . . . . 66 ILE HD1 . 11336 1 694 . 1 1 66 66 ILE HD13 H 1 0.803 0.030 . 1 . . . . 66 ILE HD1 . 11336 1 695 . 1 1 66 66 ILE HG12 H 1 1.293 0.030 . 2 . . . . 66 ILE HG12 . 11336 1 696 . 1 1 66 66 ILE HG13 H 1 0.973 0.030 . 2 . . . . 66 ILE HG13 . 11336 1 697 . 1 1 66 66 ILE HG21 H 1 0.947 0.030 . 1 . . . . 66 ILE HG2 . 11336 1 698 . 1 1 66 66 ILE HG22 H 1 0.947 0.030 . 1 . . . . 66 ILE HG2 . 11336 1 699 . 1 1 66 66 ILE HG23 H 1 0.947 0.030 . 1 . . . . 66 ILE HG2 . 11336 1 700 . 1 1 66 66 ILE C C 13 175.242 0.300 . 1 . . . . 66 ILE C . 11336 1 701 . 1 1 66 66 ILE CA C 13 60.065 0.300 . 1 . . . . 66 ILE CA . 11336 1 702 . 1 1 66 66 ILE CB C 13 40.195 0.300 . 1 . . . . 66 ILE CB . 11336 1 703 . 1 1 66 66 ILE CD1 C 13 13.670 0.300 . 1 . . . . 66 ILE CD1 . 11336 1 704 . 1 1 66 66 ILE CG1 C 13 26.134 0.300 . 1 . . . . 66 ILE CG1 . 11336 1 705 . 1 1 66 66 ILE CG2 C 13 18.289 0.300 . 1 . . . . 66 ILE CG2 . 11336 1 706 . 1 1 66 66 ILE N N 15 122.001 0.300 . 1 . . . . 66 ILE N . 11336 1 707 . 1 1 67 67 ASN H H 1 8.711 0.030 . 1 . . . . 67 ASN H . 11336 1 708 . 1 1 67 67 ASN HA H 1 4.793 0.030 . 1 . . . . 67 ASN HA . 11336 1 709 . 1 1 67 67 ASN HB2 H 1 2.772 0.030 . 2 . . . . 67 ASN HB2 . 11336 1 710 . 1 1 67 67 ASN HB3 H 1 2.673 0.030 . 2 . . . . 67 ASN HB3 . 11336 1 711 . 1 1 67 67 ASN HD21 H 1 6.857 0.030 . 2 . . . . 67 ASN HD21 . 11336 1 712 . 1 1 67 67 ASN HD22 H 1 7.758 0.030 . 2 . . . . 67 ASN HD22 . 11336 1 713 . 1 1 67 67 ASN C C 13 174.526 0.300 . 1 . . . . 67 ASN C . 11336 1 714 . 1 1 67 67 ASN CA C 13 52.850 0.300 . 1 . . . . 67 ASN CA . 11336 1 715 . 1 1 67 67 ASN CB C 13 39.614 0.300 . 1 . . . . 67 ASN CB . 11336 1 716 . 1 1 67 67 ASN N N 15 122.207 0.300 . 1 . . . . 67 ASN N . 11336 1 717 . 1 1 67 67 ASN ND2 N 15 113.603 0.300 . 1 . . . . 67 ASN ND2 . 11336 1 718 . 1 1 68 68 HIS H H 1 8.328 0.030 . 1 . . . . 68 HIS H . 11336 1 719 . 1 1 68 68 HIS HA H 1 4.562 0.030 . 1 . . . . 68 HIS HA . 11336 1 720 . 1 1 68 68 HIS HB2 H 1 3.014 0.030 . 1 . . . . 68 HIS HB2 . 11336 1 721 . 1 1 68 68 HIS HB3 H 1 3.014 0.030 . 1 . . . . 68 HIS HB3 . 11336 1 722 . 1 1 68 68 HIS HD2 H 1 6.962 0.030 . 1 . . . . 68 HIS HD2 . 11336 1 723 . 1 1 68 68 HIS HE1 H 1 7.819 0.030 . 1 . . . . 68 HIS HE1 . 11336 1 724 . 1 1 68 68 HIS C C 13 173.972 0.300 . 1 . . . . 68 HIS C . 11336 1 725 . 1 1 68 68 HIS CA C 13 56.460 0.300 . 1 . . . . 68 HIS CA . 11336 1 726 . 1 1 68 68 HIS CB C 13 31.231 0.300 . 1 . . . . 68 HIS CB . 11336 1 727 . 1 1 68 68 HIS CD2 C 13 120.297 0.300 . 1 . . . . 68 HIS CD2 . 11336 1 728 . 1 1 68 68 HIS CE1 C 13 138.194 0.300 . 1 . . . . 68 HIS CE1 . 11336 1 729 . 1 1 68 68 HIS N N 15 121.075 0.300 . 1 . . . . 68 HIS N . 11336 1 730 . 1 1 69 69 LYS H H 1 7.795 0.030 . 1 . . . . 69 LYS H . 11336 1 731 . 1 1 69 69 LYS HA H 1 4.093 0.030 . 1 . . . . 69 LYS HA . 11336 1 732 . 1 1 69 69 LYS HB2 H 1 1.651 0.030 . 2 . . . . 69 LYS HB2 . 11336 1 733 . 1 1 69 69 LYS HB3 H 1 1.769 0.030 . 2 . . . . 69 LYS HB3 . 11336 1 734 . 1 1 69 69 LYS HD2 H 1 1.621 0.030 . 1 . . . . 69 LYS HD2 . 11336 1 735 . 1 1 69 69 LYS HD3 H 1 1.621 0.030 . 1 . . . . 69 LYS HD3 . 11336 1 736 . 1 1 69 69 LYS HE2 H 1 2.962 0.030 . 1 . . . . 69 LYS HE2 . 11336 1 737 . 1 1 69 69 LYS HE3 H 1 2.962 0.030 . 1 . . . . 69 LYS HE3 . 11336 1 738 . 1 1 69 69 LYS HG2 H 1 1.313 0.030 . 1 . . . . 69 LYS HG2 . 11336 1 739 . 1 1 69 69 LYS HG3 H 1 1.313 0.030 . 1 . . . . 69 LYS HG3 . 11336 1 740 . 1 1 69 69 LYS C C 13 181.082 0.300 . 1 . . . . 69 LYS C . 11336 1 741 . 1 1 69 69 LYS CA C 13 57.680 0.300 . 1 . . . . 69 LYS CA . 11336 1 742 . 1 1 69 69 LYS CB C 13 33.791 0.300 . 1 . . . . 69 LYS CB . 11336 1 743 . 1 1 69 69 LYS CD C 13 29.344 0.300 . 1 . . . . 69 LYS CD . 11336 1 744 . 1 1 69 69 LYS CE C 13 42.353 0.300 . 1 . . . . 69 LYS CE . 11336 1 745 . 1 1 69 69 LYS CG C 13 24.680 0.300 . 1 . . . . 69 LYS CG . 11336 1 746 . 1 1 69 69 LYS N N 15 128.070 0.300 . 1 . . . . 69 LYS N . 11336 1 stop_ save_