data_11339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11339 _Entry.Title ; Solution structure of the ring domain of the Baculoviral IAP repeat-containing protein 4 from Homo sapiens ; _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 . . . 11339 2 M. Sato . . . 11339 3 S. Koshiba . . . 11339 4 S. Watanabe . . . 11339 5 T. Harada . . . 11339 6 T. Kigawa . . . 11339 7 S. Yokoyama . . . 11339 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)' . 11339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 11339 '15N chemical shifts' 75 11339 '1H chemical shifts' 519 11339 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 . 11339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECG 'BMRB Entry Tracking System' 11339 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11339 _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 Baculoviral IAP repeat-containing protein 4 from Homo sapiens ; _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 . . . 11339 1 2 M. Sato . . . 11339 1 3 S. Koshiba . . . 11339 1 4 S. Watanabe . . . 11339 1 5 T. Harada . . . 11339 1 6 T. Kigawa . . . 11339 1 7 S. Yokoyama . . . 11339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11339 _Assembly.ID 1 _Assembly.Name 'Baculoviral IAP repeat-containing 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 . . . 11339 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11339 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11339 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 28 28 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11339 1 2 coordination single . 1 'RING domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11339 1 3 coordination single . 1 'RING domain' 1 CYS 43 43 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 11339 1 4 coordination single . 1 'RING domain' 1 HIS 45 45 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 45 HIS ND1 . . . . ZN 11339 1 5 coordination single . 1 'RING domain' 1 CYS 49 49 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11339 1 6 coordination single . 1 'RING domain' 1 CYS 52 52 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 52 CYS SG . . . . ZN 11339 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 11339 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 11339 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 11339 1 . . 1 1 CYS 62 62 HG . 62 CYS HG 11339 1 . . 1 1 CYS 49 49 HG . 49 CYS HG 11339 1 . . 1 1 CYS 52 52 HG . 52 CYS HG 11339 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 11339 1 . . 1 1 HIS 45 45 HD1 . 45 HIS HD1 11339 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11339 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11339 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 2ecg . . . . . . 11339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11339 _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 ; GSSGSSGSLQKEISTEEQLR RLQEEKLCKICMDRNIAIVF VPCGHLVTCKQCAEAVDKCP MCYTVITFKQKIFMS ; _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 75 _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 2ECG . "Solution Structure Of The Ring Domain Of The Baculoviral Iap Repeat-Containing Protein 4 From Homo Sapiens" . . . . . 100.00 75 100.00 100.00 3.51e-46 . . . . 11339 1 2 no DBJ BAG36609 . "unnamed protein product [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.05e-38 . . . . 11339 1 3 no DBJ BAI46620 . "X-linked inhibitor of apoptosis [synthetic construct]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 4 no GB AAC50373 . "X-linked inhibitor of apotosis protein [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.15e-38 . . . . 11339 1 5 no GB AAC50518 . "IAP-like protein ILP [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.07e-38 . . . . 11339 1 6 no GB AAH32729 . "X-linked inhibitor of apoptosis [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 7 no GB AAW62257 . "baculoviral IAP repeat-containing 4 [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 8 no GB AAX29953 . "baculoviral IAP repeat-containing 4 [synthetic construct]" . . . . . 94.67 498 97.18 97.18 1.10e-38 . . . . 11339 1 9 no REF NP_001158 . "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 10 no REF NP_001191330 . "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 11 no REF XP_003262340 . "PREDICTED: E3 ubiquitin-protein ligase XIAP [Nomascus leucogenys]" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 12 no REF XP_003779771 . "PREDICTED: E3 ubiquitin-protein ligase XIAP isoform X1 [Pongo abelii]" . . . . . 94.67 513 97.18 97.18 1.16e-38 . . . . 11339 1 13 no REF XP_003823173 . "PREDICTED: E3 ubiquitin-protein ligase XIAP [Pan paniscus]" . . . . . 94.67 497 97.18 97.18 1.03e-38 . . . . 11339 1 14 no SP P98170 . "RecName: Full=E3 ubiquitin-protein ligase XIAP; AltName: Full=Baculoviral IAP repeat-containing protein 4; AltName: Full=IAP-li" . . . . . 94.67 497 97.18 97.18 1.12e-38 . . . . 11339 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11339 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 . 11339 1 2 . SER . 11339 1 3 . SER . 11339 1 4 . GLY . 11339 1 5 . SER . 11339 1 6 . SER . 11339 1 7 . GLY . 11339 1 8 . SER . 11339 1 9 . LEU . 11339 1 10 . GLN . 11339 1 11 . LYS . 11339 1 12 . GLU . 11339 1 13 . ILE . 11339 1 14 . SER . 11339 1 15 . THR . 11339 1 16 . GLU . 11339 1 17 . GLU . 11339 1 18 . GLN . 11339 1 19 . LEU . 11339 1 20 . ARG . 11339 1 21 . ARG . 11339 1 22 . LEU . 11339 1 23 . GLN . 11339 1 24 . GLU . 11339 1 25 . GLU . 11339 1 26 . LYS . 11339 1 27 . LEU . 11339 1 28 . CYS . 11339 1 29 . LYS . 11339 1 30 . ILE . 11339 1 31 . CYS . 11339 1 32 . MET . 11339 1 33 . ASP . 11339 1 34 . ARG . 11339 1 35 . ASN . 11339 1 36 . ILE . 11339 1 37 . ALA . 11339 1 38 . ILE . 11339 1 39 . VAL . 11339 1 40 . PHE . 11339 1 41 . VAL . 11339 1 42 . PRO . 11339 1 43 . CYS . 11339 1 44 . GLY . 11339 1 45 . HIS . 11339 1 46 . LEU . 11339 1 47 . VAL . 11339 1 48 . THR . 11339 1 49 . CYS . 11339 1 50 . LYS . 11339 1 51 . GLN . 11339 1 52 . CYS . 11339 1 53 . ALA . 11339 1 54 . GLU . 11339 1 55 . ALA . 11339 1 56 . VAL . 11339 1 57 . ASP . 11339 1 58 . LYS . 11339 1 59 . CYS . 11339 1 60 . PRO . 11339 1 61 . MET . 11339 1 62 . CYS . 11339 1 63 . TYR . 11339 1 64 . THR . 11339 1 65 . VAL . 11339 1 66 . ILE . 11339 1 67 . THR . 11339 1 68 . PHE . 11339 1 69 . LYS . 11339 1 70 . GLN . 11339 1 71 . LYS . 11339 1 72 . ILE . 11339 1 73 . PHE . 11339 1 74 . MET . 11339 1 75 . SER . 11339 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 11339 1 . SER 2 2 11339 1 . SER 3 3 11339 1 . GLY 4 4 11339 1 . SER 5 5 11339 1 . SER 6 6 11339 1 . GLY 7 7 11339 1 . SER 8 8 11339 1 . LEU 9 9 11339 1 . GLN 10 10 11339 1 . LYS 11 11 11339 1 . GLU 12 12 11339 1 . ILE 13 13 11339 1 . SER 14 14 11339 1 . THR 15 15 11339 1 . GLU 16 16 11339 1 . GLU 17 17 11339 1 . GLN 18 18 11339 1 . LEU 19 19 11339 1 . ARG 20 20 11339 1 . ARG 21 21 11339 1 . LEU 22 22 11339 1 . GLN 23 23 11339 1 . GLU 24 24 11339 1 . GLU 25 25 11339 1 . LYS 26 26 11339 1 . LEU 27 27 11339 1 . CYS 28 28 11339 1 . LYS 29 29 11339 1 . ILE 30 30 11339 1 . CYS 31 31 11339 1 . MET 32 32 11339 1 . ASP 33 33 11339 1 . ARG 34 34 11339 1 . ASN 35 35 11339 1 . ILE 36 36 11339 1 . ALA 37 37 11339 1 . ILE 38 38 11339 1 . VAL 39 39 11339 1 . PHE 40 40 11339 1 . VAL 41 41 11339 1 . PRO 42 42 11339 1 . CYS 43 43 11339 1 . GLY 44 44 11339 1 . HIS 45 45 11339 1 . LEU 46 46 11339 1 . VAL 47 47 11339 1 . THR 48 48 11339 1 . CYS 49 49 11339 1 . LYS 50 50 11339 1 . GLN 51 51 11339 1 . CYS 52 52 11339 1 . ALA 53 53 11339 1 . GLU 54 54 11339 1 . ALA 55 55 11339 1 . VAL 56 56 11339 1 . ASP 57 57 11339 1 . LYS 58 58 11339 1 . CYS 59 59 11339 1 . PRO 60 60 11339 1 . MET 61 61 11339 1 . CYS 62 62 11339 1 . TYR 63 63 11339 1 . THR 64 64 11339 1 . VAL 65 65 11339 1 . ILE 66 66 11339 1 . THR 67 67 11339 1 . PHE 68 68 11339 1 . LYS 69 69 11339 1 . GLN 70 70 11339 1 . LYS 71 71 11339 1 . ILE 72 72 11339 1 . PHE 73 73 11339 1 . MET 74 74 11339 1 . SER 75 75 11339 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11339 _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 . 11339 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 11339 _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 . . . . . . . . . . . . . . . . . . . . . 11339 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 11339 _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 . . P060417-22 . . . . . . 11339 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 11339 _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 11339 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11339 ZN [Zn++] SMILES CACTVS 3.341 11339 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11339 ZN [Zn+2] SMILES ACDLabs 10.04 11339 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11339 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11339 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 11339 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11339 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 . 11339 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11339 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM 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 1.14 . . mM . . . . 11339 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11339 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11339 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11339 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11339 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11339 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11339 1 8 H2O . . . . . . solvent 90 . . % . . . . 11339 1 9 D2O . . . . . . solvent 10 . . % . . . . 11339 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 11339 _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 11339 1 pH 7.0 0.05 pH 11339 1 pressure 1 0.001 atm 11339 1 temperature 296 0.1 K 11339 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11339 _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 . . 11339 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11339 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11339 _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.' . . 11339 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11339 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11339 _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.' . . 11339 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11339 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11339 _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.' . . 11339 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11339 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11339 _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.' . . 11339 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11339 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 11339 _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 11339 _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 . . . 11339 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 11339 _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 . . . . . . . . . . . . . . . . 11339 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11339 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 11339 _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 . . . . . . . . . 11339 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11339 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11339 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 11339 _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 11339 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11339 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 . . 11339 1 2 $NMRPipe . . 11339 1 3 $NMRView . . 11339 1 4 $Kujira . . 11339 1 5 $CYANA . . 11339 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 4.004 0.030 . 1 . . . . 7 GLY HA2 . 11339 1 2 . 1 1 7 7 GLY HA3 H 1 4.004 0.030 . 1 . . . . 7 GLY HA3 . 11339 1 3 . 1 1 7 7 GLY C C 13 174.320 0.300 . 1 . . . . 7 GLY C . 11339 1 4 . 1 1 7 7 GLY CA C 13 45.463 0.300 . 1 . . . . 7 GLY CA . 11339 1 5 . 1 1 8 8 SER H H 1 8.194 0.030 . 1 . . . . 8 SER H . 11339 1 6 . 1 1 8 8 SER HA H 1 4.437 0.030 . 1 . . . . 8 SER HA . 11339 1 7 . 1 1 8 8 SER HB2 H 1 3.861 0.030 . 1 . . . . 8 SER HB2 . 11339 1 8 . 1 1 8 8 SER HB3 H 1 3.861 0.030 . 1 . . . . 8 SER HB3 . 11339 1 9 . 1 1 8 8 SER C C 13 174.698 0.300 . 1 . . . . 8 SER C . 11339 1 10 . 1 1 8 8 SER CA C 13 58.425 0.300 . 1 . . . . 8 SER CA . 11339 1 11 . 1 1 8 8 SER CB C 13 63.654 0.300 . 1 . . . . 8 SER CB . 11339 1 12 . 1 1 8 8 SER N N 15 115.684 0.300 . 1 . . . . 8 SER N . 11339 1 13 . 1 1 9 9 LEU H H 1 8.295 0.030 . 1 . . . . 9 LEU H . 11339 1 14 . 1 1 9 9 LEU HA H 1 4.334 0.030 . 1 . . . . 9 LEU HA . 11339 1 15 . 1 1 9 9 LEU HB2 H 1 1.643 0.030 . 2 . . . . 9 LEU HB2 . 11339 1 16 . 1 1 9 9 LEU HB3 H 1 1.595 0.030 . 2 . . . . 9 LEU HB3 . 11339 1 17 . 1 1 9 9 LEU HD11 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11339 1 18 . 1 1 9 9 LEU HD12 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11339 1 19 . 1 1 9 9 LEU HD13 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11339 1 20 . 1 1 9 9 LEU HD21 H 1 0.920 0.030 . 1 . . . . 9 LEU HD2 . 11339 1 21 . 1 1 9 9 LEU HD22 H 1 0.920 0.030 . 1 . . . . 9 LEU HD2 . 11339 1 22 . 1 1 9 9 LEU HD23 H 1 0.920 0.030 . 1 . . . . 9 LEU HD2 . 11339 1 23 . 1 1 9 9 LEU HG H 1 1.620 0.030 . 1 . . . . 9 LEU HG . 11339 1 24 . 1 1 9 9 LEU C C 13 177.371 0.300 . 1 . . . . 9 LEU C . 11339 1 25 . 1 1 9 9 LEU CA C 13 55.440 0.300 . 1 . . . . 9 LEU CA . 11339 1 26 . 1 1 9 9 LEU CB C 13 42.198 0.300 . 1 . . . . 9 LEU CB . 11339 1 27 . 1 1 9 9 LEU CD1 C 13 23.561 0.300 . 2 . . . . 9 LEU CD1 . 11339 1 28 . 1 1 9 9 LEU CD2 C 13 24.865 0.300 . 2 . . . . 9 LEU CD2 . 11339 1 29 . 1 1 9 9 LEU CG C 13 26.966 0.300 . 1 . . . . 9 LEU CG . 11339 1 30 . 1 1 9 9 LEU N N 15 124.005 0.300 . 1 . . . . 9 LEU N . 11339 1 31 . 1 1 10 10 GLN H H 1 8.307 0.030 . 1 . . . . 10 GLN H . 11339 1 32 . 1 1 10 10 GLN HA H 1 4.286 0.030 . 1 . . . . 10 GLN HA . 11339 1 33 . 1 1 10 10 GLN HB2 H 1 1.975 0.030 . 2 . . . . 10 GLN HB2 . 11339 1 34 . 1 1 10 10 GLN HB3 H 1 2.082 0.030 . 2 . . . . 10 GLN HB3 . 11339 1 35 . 1 1 10 10 GLN HE21 H 1 7.544 0.030 . 2 . . . . 10 GLN HE21 . 11339 1 36 . 1 1 10 10 GLN HE22 H 1 6.854 0.030 . 2 . . . . 10 GLN HE22 . 11339 1 37 . 1 1 10 10 GLN HG2 H 1 2.347 0.030 . 1 . . . . 10 GLN HG2 . 11339 1 38 . 1 1 10 10 GLN HG3 H 1 2.347 0.030 . 1 . . . . 10 GLN HG3 . 11339 1 39 . 1 1 10 10 GLN C C 13 175.829 0.300 . 1 . . . . 10 GLN C . 11339 1 40 . 1 1 10 10 GLN CA C 13 55.909 0.300 . 1 . . . . 10 GLN CA . 11339 1 41 . 1 1 10 10 GLN CB C 13 29.341 0.300 . 1 . . . . 10 GLN CB . 11339 1 42 . 1 1 10 10 GLN CG C 13 33.828 0.300 . 1 . . . . 10 GLN CG . 11339 1 43 . 1 1 10 10 GLN N N 15 121.119 0.300 . 1 . . . . 10 GLN N . 11339 1 44 . 1 1 10 10 GLN NE2 N 15 112.653 0.300 . 1 . . . . 10 GLN NE2 . 11339 1 45 . 1 1 11 11 LYS H H 1 8.272 0.030 . 1 . . . . 11 LYS H . 11339 1 46 . 1 1 11 11 LYS HA H 1 4.271 0.030 . 1 . . . . 11 LYS HA . 11339 1 47 . 1 1 11 11 LYS HB2 H 1 1.810 0.030 . 2 . . . . 11 LYS HB2 . 11339 1 48 . 1 1 11 11 LYS HB3 H 1 1.746 0.030 . 2 . . . . 11 LYS HB3 . 11339 1 49 . 1 1 11 11 LYS HD2 H 1 1.672 0.030 . 1 . . . . 11 LYS HD2 . 11339 1 50 . 1 1 11 11 LYS HD3 H 1 1.672 0.030 . 1 . . . . 11 LYS HD3 . 11339 1 51 . 1 1 11 11 LYS HE2 H 1 2.994 0.030 . 1 . . . . 11 LYS HE2 . 11339 1 52 . 1 1 11 11 LYS HE3 H 1 2.994 0.030 . 1 . . . . 11 LYS HE3 . 11339 1 53 . 1 1 11 11 LYS HG2 H 1 1.418 0.030 . 1 . . . . 11 LYS HG2 . 11339 1 54 . 1 1 11 11 LYS HG3 H 1 1.418 0.030 . 1 . . . . 11 LYS HG3 . 11339 1 55 . 1 1 11 11 LYS C C 13 176.465 0.300 . 1 . . . . 11 LYS C . 11339 1 56 . 1 1 11 11 LYS CA C 13 56.454 0.300 . 1 . . . . 11 LYS CA . 11339 1 57 . 1 1 11 11 LYS CB C 13 33.229 0.300 . 1 . . . . 11 LYS CB . 11339 1 58 . 1 1 11 11 LYS CD C 13 29.065 0.300 . 1 . . . . 11 LYS CD . 11339 1 59 . 1 1 11 11 LYS CE C 13 42.063 0.300 . 1 . . . . 11 LYS CE . 11339 1 60 . 1 1 11 11 LYS CG C 13 24.680 0.300 . 1 . . . . 11 LYS CG . 11339 1 61 . 1 1 11 11 LYS N N 15 122.669 0.300 . 1 . . . . 11 LYS N . 11339 1 62 . 1 1 12 12 GLU H H 1 8.462 0.030 . 1 . . . . 12 GLU H . 11339 1 63 . 1 1 12 12 GLU HA H 1 4.273 0.030 . 1 . . . . 12 GLU HA . 11339 1 64 . 1 1 12 12 GLU HB2 H 1 2.011 0.030 . 2 . . . . 12 GLU HB2 . 11339 1 65 . 1 1 12 12 GLU HB3 H 1 1.926 0.030 . 2 . . . . 12 GLU HB3 . 11339 1 66 . 1 1 12 12 GLU HG2 H 1 2.271 0.030 . 2 . . . . 12 GLU HG2 . 11339 1 67 . 1 1 12 12 GLU HG3 H 1 2.219 0.030 . 2 . . . . 12 GLU HG3 . 11339 1 68 . 1 1 12 12 GLU C C 13 176.244 0.300 . 1 . . . . 12 GLU C . 11339 1 69 . 1 1 12 12 GLU CA C 13 56.686 0.300 . 1 . . . . 12 GLU CA . 11339 1 70 . 1 1 12 12 GLU CB C 13 30.215 0.300 . 1 . . . . 12 GLU CB . 11339 1 71 . 1 1 12 12 GLU CG C 13 36.237 0.300 . 1 . . . . 12 GLU CG . 11339 1 72 . 1 1 12 12 GLU N N 15 122.359 0.300 . 1 . . . . 12 GLU N . 11339 1 73 . 1 1 13 13 ILE H H 1 8.191 0.030 . 1 . . . . 13 ILE H . 11339 1 74 . 1 1 13 13 ILE HA H 1 4.279 0.030 . 1 . . . . 13 ILE HA . 11339 1 75 . 1 1 13 13 ILE HB H 1 1.838 0.030 . 1 . . . . 13 ILE HB . 11339 1 76 . 1 1 13 13 ILE HD11 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11339 1 77 . 1 1 13 13 ILE HD12 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11339 1 78 . 1 1 13 13 ILE HD13 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11339 1 79 . 1 1 13 13 ILE HG12 H 1 1.195 0.030 . 2 . . . . 13 ILE HG12 . 11339 1 80 . 1 1 13 13 ILE HG13 H 1 1.471 0.030 . 2 . . . . 13 ILE HG13 . 11339 1 81 . 1 1 13 13 ILE HG21 H 1 0.942 0.030 . 1 . . . . 13 ILE HG2 . 11339 1 82 . 1 1 13 13 ILE HG22 H 1 0.942 0.030 . 1 . . . . 13 ILE HG2 . 11339 1 83 . 1 1 13 13 ILE HG23 H 1 0.942 0.030 . 1 . . . . 13 ILE HG2 . 11339 1 84 . 1 1 13 13 ILE C C 13 176.329 0.300 . 1 . . . . 13 ILE C . 11339 1 85 . 1 1 13 13 ILE CA C 13 60.655 0.300 . 1 . . . . 13 ILE CA . 11339 1 86 . 1 1 13 13 ILE CB C 13 38.831 0.300 . 1 . . . . 13 ILE CB . 11339 1 87 . 1 1 13 13 ILE CD1 C 13 12.800 0.300 . 1 . . . . 13 ILE CD1 . 11339 1 88 . 1 1 13 13 ILE CG1 C 13 26.925 0.300 . 1 . . . . 13 ILE CG1 . 11339 1 89 . 1 1 13 13 ILE CG2 C 13 17.725 0.300 . 1 . . . . 13 ILE CG2 . 11339 1 90 . 1 1 13 13 ILE N N 15 121.637 0.300 . 1 . . . . 13 ILE N . 11339 1 91 . 1 1 14 14 SER H H 1 8.728 0.030 . 1 . . . . 14 SER H . 11339 1 92 . 1 1 14 14 SER HA H 1 4.485 0.030 . 1 . . . . 14 SER HA . 11339 1 93 . 1 1 14 14 SER HB2 H 1 4.082 0.030 . 2 . . . . 14 SER HB2 . 11339 1 94 . 1 1 14 14 SER HB3 H 1 4.362 0.030 . 2 . . . . 14 SER HB3 . 11339 1 95 . 1 1 14 14 SER C C 13 175.476 0.300 . 1 . . . . 14 SER C . 11339 1 96 . 1 1 14 14 SER CA C 13 58.202 0.300 . 1 . . . . 14 SER CA . 11339 1 97 . 1 1 14 14 SER CB C 13 64.945 0.300 . 1 . . . . 14 SER CB . 11339 1 98 . 1 1 14 14 SER N N 15 122.321 0.300 . 1 . . . . 14 SER N . 11339 1 99 . 1 1 15 15 THR H H 1 8.865 0.030 . 1 . . . . 15 THR H . 11339 1 100 . 1 1 15 15 THR HA H 1 3.815 0.030 . 1 . . . . 15 THR HA . 11339 1 101 . 1 1 15 15 THR HB H 1 4.046 0.030 . 1 . . . . 15 THR HB . 11339 1 102 . 1 1 15 15 THR HG21 H 1 1.179 0.030 . 1 . . . . 15 THR HG2 . 11339 1 103 . 1 1 15 15 THR HG22 H 1 1.179 0.030 . 1 . . . . 15 THR HG2 . 11339 1 104 . 1 1 15 15 THR HG23 H 1 1.179 0.030 . 1 . . . . 15 THR HG2 . 11339 1 105 . 1 1 15 15 THR C C 13 176.176 0.300 . 1 . . . . 15 THR C . 11339 1 106 . 1 1 15 15 THR CA C 13 66.325 0.300 . 1 . . . . 15 THR CA . 11339 1 107 . 1 1 15 15 THR CB C 13 68.513 0.300 . 1 . . . . 15 THR CB . 11339 1 108 . 1 1 15 15 THR CG2 C 13 22.830 0.300 . 1 . . . . 15 THR CG2 . 11339 1 109 . 1 1 15 15 THR N N 15 118.507 0.300 . 1 . . . . 15 THR N . 11339 1 110 . 1 1 16 16 GLU H H 1 8.703 0.030 . 1 . . . . 16 GLU H . 11339 1 111 . 1 1 16 16 GLU HA H 1 3.826 0.030 . 1 . . . . 16 GLU HA . 11339 1 112 . 1 1 16 16 GLU HB2 H 1 2.107 0.030 . 2 . . . . 16 GLU HB2 . 11339 1 113 . 1 1 16 16 GLU HB3 H 1 1.985 0.030 . 2 . . . . 16 GLU HB3 . 11339 1 114 . 1 1 16 16 GLU HG2 H 1 2.419 0.030 . 2 . . . . 16 GLU HG2 . 11339 1 115 . 1 1 16 16 GLU HG3 H 1 2.307 0.030 . 2 . . . . 16 GLU HG3 . 11339 1 116 . 1 1 16 16 GLU C C 13 178.917 0.300 . 1 . . . . 16 GLU C . 11339 1 117 . 1 1 16 16 GLU CA C 13 60.652 0.300 . 1 . . . . 16 GLU CA . 11339 1 118 . 1 1 16 16 GLU CB C 13 29.016 0.300 . 1 . . . . 16 GLU CB . 11339 1 119 . 1 1 16 16 GLU CG C 13 37.197 0.300 . 1 . . . . 16 GLU CG . 11339 1 120 . 1 1 16 16 GLU N N 15 119.816 0.300 . 1 . . . . 16 GLU N . 11339 1 121 . 1 1 17 17 GLU H H 1 7.981 0.030 . 1 . . . . 17 GLU H . 11339 1 122 . 1 1 17 17 GLU HA H 1 4.151 0.030 . 1 . . . . 17 GLU HA . 11339 1 123 . 1 1 17 17 GLU HB2 H 1 2.133 0.030 . 2 . . . . 17 GLU HB2 . 11339 1 124 . 1 1 17 17 GLU HB3 H 1 2.010 0.030 . 2 . . . . 17 GLU HB3 . 11339 1 125 . 1 1 17 17 GLU HG2 H 1 2.303 0.030 . 2 . . . . 17 GLU HG2 . 11339 1 126 . 1 1 17 17 GLU HG3 H 1 2.247 0.030 . 2 . . . . 17 GLU HG3 . 11339 1 127 . 1 1 17 17 GLU C C 13 178.710 0.300 . 1 . . . . 17 GLU C . 11339 1 128 . 1 1 17 17 GLU CA C 13 58.821 0.300 . 1 . . . . 17 GLU CA . 11339 1 129 . 1 1 17 17 GLU CB C 13 29.251 0.300 . 1 . . . . 17 GLU CB . 11339 1 130 . 1 1 17 17 GLU CG C 13 36.210 0.300 . 1 . . . . 17 GLU CG . 11339 1 131 . 1 1 17 17 GLU N N 15 121.704 0.300 . 1 . . . . 17 GLU N . 11339 1 132 . 1 1 18 18 GLN H H 1 8.420 0.030 . 1 . . . . 18 GLN H . 11339 1 133 . 1 1 18 18 GLN HA H 1 3.928 0.030 . 1 . . . . 18 GLN HA . 11339 1 134 . 1 1 18 18 GLN HB2 H 1 2.137 0.030 . 2 . . . . 18 GLN HB2 . 11339 1 135 . 1 1 18 18 GLN HB3 H 1 2.080 0.030 . 2 . . . . 18 GLN HB3 . 11339 1 136 . 1 1 18 18 GLN HE21 H 1 7.009 0.030 . 2 . . . . 18 GLN HE21 . 11339 1 137 . 1 1 18 18 GLN HE22 H 1 6.892 0.030 . 2 . . . . 18 GLN HE22 . 11339 1 138 . 1 1 18 18 GLN HG2 H 1 2.442 0.030 . 2 . . . . 18 GLN HG2 . 11339 1 139 . 1 1 18 18 GLN HG3 H 1 2.225 0.030 . 2 . . . . 18 GLN HG3 . 11339 1 140 . 1 1 18 18 GLN C C 13 178.856 0.300 . 1 . . . . 18 GLN C . 11339 1 141 . 1 1 18 18 GLN CA C 13 59.428 0.300 . 1 . . . . 18 GLN CA . 11339 1 142 . 1 1 18 18 GLN CB C 13 29.714 0.300 . 1 . . . . 18 GLN CB . 11339 1 143 . 1 1 18 18 GLN CG C 13 34.601 0.300 . 1 . . . . 18 GLN CG . 11339 1 144 . 1 1 18 18 GLN N N 15 120.252 0.300 . 1 . . . . 18 GLN N . 11339 1 145 . 1 1 18 18 GLN NE2 N 15 111.408 0.300 . 1 . . . . 18 GLN NE2 . 11339 1 146 . 1 1 19 19 LEU H H 1 8.290 0.030 . 1 . . . . 19 LEU H . 11339 1 147 . 1 1 19 19 LEU HA H 1 3.947 0.030 . 1 . . . . 19 LEU HA . 11339 1 148 . 1 1 19 19 LEU HB2 H 1 1.930 0.030 . 2 . . . . 19 LEU HB2 . 11339 1 149 . 1 1 19 19 LEU HB3 H 1 1.436 0.030 . 2 . . . . 19 LEU HB3 . 11339 1 150 . 1 1 19 19 LEU HD11 H 1 0.820 0.030 . 1 . . . . 19 LEU HD1 . 11339 1 151 . 1 1 19 19 LEU HD12 H 1 0.820 0.030 . 1 . . . . 19 LEU HD1 . 11339 1 152 . 1 1 19 19 LEU HD13 H 1 0.820 0.030 . 1 . . . . 19 LEU HD1 . 11339 1 153 . 1 1 19 19 LEU HD21 H 1 0.919 0.030 . 1 . . . . 19 LEU HD2 . 11339 1 154 . 1 1 19 19 LEU HD22 H 1 0.919 0.030 . 1 . . . . 19 LEU HD2 . 11339 1 155 . 1 1 19 19 LEU HD23 H 1 0.919 0.030 . 1 . . . . 19 LEU HD2 . 11339 1 156 . 1 1 19 19 LEU HG H 1 1.461 0.030 . 1 . . . . 19 LEU HG . 11339 1 157 . 1 1 19 19 LEU C C 13 177.613 0.300 . 1 . . . . 19 LEU C . 11339 1 158 . 1 1 19 19 LEU CA C 13 58.224 0.300 . 1 . . . . 19 LEU CA . 11339 1 159 . 1 1 19 19 LEU CB C 13 41.758 0.300 . 1 . . . . 19 LEU CB . 11339 1 160 . 1 1 19 19 LEU CD1 C 13 24.239 0.300 . 2 . . . . 19 LEU CD1 . 11339 1 161 . 1 1 19 19 LEU CD2 C 13 26.156 0.300 . 2 . . . . 19 LEU CD2 . 11339 1 162 . 1 1 19 19 LEU CG C 13 27.110 0.300 . 1 . . . . 19 LEU CG . 11339 1 163 . 1 1 19 19 LEU N N 15 119.849 0.300 . 1 . . . . 19 LEU N . 11339 1 164 . 1 1 20 20 ARG H H 1 7.912 0.030 . 1 . . . . 20 ARG H . 11339 1 165 . 1 1 20 20 ARG HA H 1 4.031 0.030 . 1 . . . . 20 ARG HA . 11339 1 166 . 1 1 20 20 ARG HB2 H 1 1.909 0.030 . 1 . . . . 20 ARG HB2 . 11339 1 167 . 1 1 20 20 ARG HB3 H 1 1.909 0.030 . 1 . . . . 20 ARG HB3 . 11339 1 168 . 1 1 20 20 ARG HD2 H 1 3.139 0.030 . 2 . . . . 20 ARG HD2 . 11339 1 169 . 1 1 20 20 ARG HD3 H 1 3.261 0.030 . 2 . . . . 20 ARG HD3 . 11339 1 170 . 1 1 20 20 ARG HE H 1 7.740 0.030 . 1 . . . . 20 ARG HE . 11339 1 171 . 1 1 20 20 ARG HG2 H 1 1.572 0.030 . 2 . . . . 20 ARG HG2 . 11339 1 172 . 1 1 20 20 ARG HG3 H 1 1.715 0.030 . 2 . . . . 20 ARG HG3 . 11339 1 173 . 1 1 20 20 ARG C C 13 179.146 0.300 . 1 . . . . 20 ARG C . 11339 1 174 . 1 1 20 20 ARG CA C 13 59.430 0.300 . 1 . . . . 20 ARG CA . 11339 1 175 . 1 1 20 20 ARG CB C 13 29.796 0.300 . 1 . . . . 20 ARG CB . 11339 1 176 . 1 1 20 20 ARG CD C 13 43.200 0.300 . 1 . . . . 20 ARG CD . 11339 1 177 . 1 1 20 20 ARG CG C 13 27.083 0.300 . 1 . . . . 20 ARG CG . 11339 1 178 . 1 1 20 20 ARG N N 15 119.169 0.300 . 1 . . . . 20 ARG N . 11339 1 179 . 1 1 20 20 ARG NE N 15 83.891 0.300 . 1 . . . . 20 ARG NE . 11339 1 180 . 1 1 21 21 ARG H H 1 8.070 0.030 . 1 . . . . 21 ARG H . 11339 1 181 . 1 1 21 21 ARG HA H 1 4.028 0.030 . 1 . . . . 21 ARG HA . 11339 1 182 . 1 1 21 21 ARG HB2 H 1 1.909 0.030 . 1 . . . . 21 ARG HB2 . 11339 1 183 . 1 1 21 21 ARG HB3 H 1 1.909 0.030 . 1 . . . . 21 ARG HB3 . 11339 1 184 . 1 1 21 21 ARG HD2 H 1 3.086 0.030 . 2 . . . . 21 ARG HD2 . 11339 1 185 . 1 1 21 21 ARG HD3 H 1 3.184 0.030 . 2 . . . . 21 ARG HD3 . 11339 1 186 . 1 1 21 21 ARG HE H 1 7.726 0.030 . 1 . . . . 21 ARG HE . 11339 1 187 . 1 1 21 21 ARG HG2 H 1 1.663 0.030 . 2 . . . . 21 ARG HG2 . 11339 1 188 . 1 1 21 21 ARG HG3 H 1 1.849 0.030 . 2 . . . . 21 ARG HG3 . 11339 1 189 . 1 1 21 21 ARG C C 13 179.364 0.300 . 1 . . . . 21 ARG C . 11339 1 190 . 1 1 21 21 ARG CA C 13 59.496 0.300 . 1 . . . . 21 ARG CA . 11339 1 191 . 1 1 21 21 ARG CB C 13 29.928 0.300 . 1 . . . . 21 ARG CB . 11339 1 192 . 1 1 21 21 ARG CD C 13 43.593 0.300 . 1 . . . . 21 ARG CD . 11339 1 193 . 1 1 21 21 ARG CG C 13 27.505 0.300 . 1 . . . . 21 ARG CG . 11339 1 194 . 1 1 21 21 ARG N N 15 117.715 0.300 . 1 . . . . 21 ARG N . 11339 1 195 . 1 1 21 21 ARG NE N 15 85.114 0.300 . 1 . . . . 21 ARG NE . 11339 1 196 . 1 1 22 22 LEU H H 1 7.763 0.030 . 1 . . . . 22 LEU H . 11339 1 197 . 1 1 22 22 LEU HA H 1 4.069 0.030 . 1 . . . . 22 LEU HA . 11339 1 198 . 1 1 22 22 LEU HB2 H 1 1.876 0.030 . 2 . . . . 22 LEU HB2 . 11339 1 199 . 1 1 22 22 LEU HB3 H 1 1.476 0.030 . 2 . . . . 22 LEU HB3 . 11339 1 200 . 1 1 22 22 LEU HD11 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11339 1 201 . 1 1 22 22 LEU HD12 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11339 1 202 . 1 1 22 22 LEU HD13 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11339 1 203 . 1 1 22 22 LEU HD21 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11339 1 204 . 1 1 22 22 LEU HD22 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11339 1 205 . 1 1 22 22 LEU HD23 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11339 1 206 . 1 1 22 22 LEU HG H 1 1.782 0.030 . 1 . . . . 22 LEU HG . 11339 1 207 . 1 1 22 22 LEU C C 13 180.073 0.300 . 1 . . . . 22 LEU C . 11339 1 208 . 1 1 22 22 LEU CA C 13 57.869 0.300 . 1 . . . . 22 LEU CA . 11339 1 209 . 1 1 22 22 LEU CB C 13 42.104 0.300 . 1 . . . . 22 LEU CB . 11339 1 210 . 1 1 22 22 LEU CD1 C 13 26.468 0.300 . 2 . . . . 22 LEU CD1 . 11339 1 211 . 1 1 22 22 LEU CD2 C 13 23.559 0.300 . 2 . . . . 22 LEU CD2 . 11339 1 212 . 1 1 22 22 LEU CG C 13 27.538 0.300 . 1 . . . . 22 LEU CG . 11339 1 213 . 1 1 22 22 LEU N N 15 119.296 0.300 . 1 . . . . 22 LEU N . 11339 1 214 . 1 1 23 23 GLN H H 1 8.297 0.030 . 1 . . . . 23 GLN H . 11339 1 215 . 1 1 23 23 GLN HA H 1 3.977 0.030 . 1 . . . . 23 GLN HA . 11339 1 216 . 1 1 23 23 GLN HB2 H 1 2.327 0.030 . 2 . . . . 23 GLN HB2 . 11339 1 217 . 1 1 23 23 GLN HB3 H 1 1.919 0.030 . 2 . . . . 23 GLN HB3 . 11339 1 218 . 1 1 23 23 GLN HE21 H 1 7.221 0.030 . 2 . . . . 23 GLN HE21 . 11339 1 219 . 1 1 23 23 GLN HE22 H 1 6.805 0.030 . 2 . . . . 23 GLN HE22 . 11339 1 220 . 1 1 23 23 GLN HG2 H 1 2.513 0.030 . 2 . . . . 23 GLN HG2 . 11339 1 221 . 1 1 23 23 GLN HG3 H 1 2.276 0.030 . 2 . . . . 23 GLN HG3 . 11339 1 222 . 1 1 23 23 GLN C C 13 179.954 0.300 . 1 . . . . 23 GLN C . 11339 1 223 . 1 1 23 23 GLN CA C 13 58.955 0.300 . 1 . . . . 23 GLN CA . 11339 1 224 . 1 1 23 23 GLN CB C 13 28.173 0.300 . 1 . . . . 23 GLN CB . 11339 1 225 . 1 1 23 23 GLN CG C 13 34.291 0.300 . 1 . . . . 23 GLN CG . 11339 1 226 . 1 1 23 23 GLN N N 15 118.555 0.300 . 1 . . . . 23 GLN N . 11339 1 227 . 1 1 23 23 GLN NE2 N 15 110.442 0.300 . 1 . . . . 23 GLN NE2 . 11339 1 228 . 1 1 24 24 GLU H H 1 8.455 0.030 . 1 . . . . 24 GLU H . 11339 1 229 . 1 1 24 24 GLU HA H 1 3.931 0.030 . 1 . . . . 24 GLU HA . 11339 1 230 . 1 1 24 24 GLU HB2 H 1 2.081 0.030 . 2 . . . . 24 GLU HB2 . 11339 1 231 . 1 1 24 24 GLU HB3 H 1 2.135 0.030 . 2 . . . . 24 GLU HB3 . 11339 1 232 . 1 1 24 24 GLU HG2 H 1 2.483 0.030 . 2 . . . . 24 GLU HG2 . 11339 1 233 . 1 1 24 24 GLU HG3 H 1 2.224 0.030 . 2 . . . . 24 GLU HG3 . 11339 1 234 . 1 1 24 24 GLU C C 13 179.428 0.300 . 1 . . . . 24 GLU C . 11339 1 235 . 1 1 24 24 GLU CA C 13 59.214 0.300 . 1 . . . . 24 GLU CA . 11339 1 236 . 1 1 24 24 GLU CB C 13 29.361 0.300 . 1 . . . . 24 GLU CB . 11339 1 237 . 1 1 24 24 GLU CG C 13 37.170 0.300 . 1 . . . . 24 GLU CG . 11339 1 238 . 1 1 24 24 GLU N N 15 120.358 0.300 . 1 . . . . 24 GLU N . 11339 1 239 . 1 1 25 25 GLU H H 1 7.773 0.030 . 1 . . . . 25 GLU H . 11339 1 240 . 1 1 25 25 GLU HA H 1 4.096 0.030 . 1 . . . . 25 GLU HA . 11339 1 241 . 1 1 25 25 GLU HB2 H 1 2.131 0.030 . 2 . . . . 25 GLU HB2 . 11339 1 242 . 1 1 25 25 GLU HB3 H 1 2.083 0.030 . 2 . . . . 25 GLU HB3 . 11339 1 243 . 1 1 25 25 GLU HG2 H 1 2.358 0.030 . 2 . . . . 25 GLU HG2 . 11339 1 244 . 1 1 25 25 GLU HG3 H 1 2.490 0.030 . 2 . . . . 25 GLU HG3 . 11339 1 245 . 1 1 25 25 GLU C C 13 177.091 0.300 . 1 . . . . 25 GLU C . 11339 1 246 . 1 1 25 25 GLU CA C 13 58.570 0.300 . 1 . . . . 25 GLU CA . 11339 1 247 . 1 1 25 25 GLU CB C 13 29.465 0.300 . 1 . . . . 25 GLU CB . 11339 1 248 . 1 1 25 25 GLU CG C 13 36.802 0.300 . 1 . . . . 25 GLU CG . 11339 1 249 . 1 1 25 25 GLU N N 15 118.571 0.300 . 1 . . . . 25 GLU N . 11339 1 250 . 1 1 26 26 LYS H H 1 7.018 0.030 . 1 . . . . 26 LYS H . 11339 1 251 . 1 1 26 26 LYS HA H 1 4.153 0.030 . 1 . . . . 26 LYS HA . 11339 1 252 . 1 1 26 26 LYS HB2 H 1 1.708 0.030 . 2 . . . . 26 LYS HB2 . 11339 1 253 . 1 1 26 26 LYS HB3 H 1 1.954 0.030 . 2 . . . . 26 LYS HB3 . 11339 1 254 . 1 1 26 26 LYS HD2 H 1 1.607 0.030 . 2 . . . . 26 LYS HD2 . 11339 1 255 . 1 1 26 26 LYS HD3 H 1 1.678 0.030 . 2 . . . . 26 LYS HD3 . 11339 1 256 . 1 1 26 26 LYS HE2 H 1 2.897 0.030 . 1 . . . . 26 LYS HE2 . 11339 1 257 . 1 1 26 26 LYS HE3 H 1 2.897 0.030 . 1 . . . . 26 LYS HE3 . 11339 1 258 . 1 1 26 26 LYS HG2 H 1 1.642 0.030 . 2 . . . . 26 LYS HG2 . 11339 1 259 . 1 1 26 26 LYS HG3 H 1 1.447 0.030 . 2 . . . . 26 LYS HG3 . 11339 1 260 . 1 1 26 26 LYS C C 13 175.748 0.300 . 1 . . . . 26 LYS C . 11339 1 261 . 1 1 26 26 LYS CA C 13 56.628 0.300 . 1 . . . . 26 LYS CA . 11339 1 262 . 1 1 26 26 LYS CB C 13 33.078 0.300 . 1 . . . . 26 LYS CB . 11339 1 263 . 1 1 26 26 LYS CD C 13 29.434 0.300 . 1 . . . . 26 LYS CD . 11339 1 264 . 1 1 26 26 LYS CE C 13 41.780 0.300 . 1 . . . . 26 LYS CE . 11339 1 265 . 1 1 26 26 LYS CG C 13 25.142 0.300 . 1 . . . . 26 LYS CG . 11339 1 266 . 1 1 26 26 LYS N N 15 114.654 0.300 . 1 . . . . 26 LYS N . 11339 1 267 . 1 1 27 27 LEU H H 1 7.182 0.030 . 1 . . . . 27 LEU H . 11339 1 268 . 1 1 27 27 LEU HA H 1 4.263 0.030 . 1 . . . . 27 LEU HA . 11339 1 269 . 1 1 27 27 LEU HB2 H 1 1.814 0.030 . 2 . . . . 27 LEU HB2 . 11339 1 270 . 1 1 27 27 LEU HB3 H 1 1.179 0.030 . 2 . . . . 27 LEU HB3 . 11339 1 271 . 1 1 27 27 LEU HD11 H 1 0.803 0.030 . 1 . . . . 27 LEU HD1 . 11339 1 272 . 1 1 27 27 LEU HD12 H 1 0.803 0.030 . 1 . . . . 27 LEU HD1 . 11339 1 273 . 1 1 27 27 LEU HD13 H 1 0.803 0.030 . 1 . . . . 27 LEU HD1 . 11339 1 274 . 1 1 27 27 LEU HD21 H 1 0.624 0.030 . 1 . . . . 27 LEU HD2 . 11339 1 275 . 1 1 27 27 LEU HD22 H 1 0.624 0.030 . 1 . . . . 27 LEU HD2 . 11339 1 276 . 1 1 27 27 LEU HD23 H 1 0.624 0.030 . 1 . . . . 27 LEU HD2 . 11339 1 277 . 1 1 27 27 LEU HG H 1 1.682 0.030 . 1 . . . . 27 LEU HG . 11339 1 278 . 1 1 27 27 LEU C C 13 176.213 0.300 . 1 . . . . 27 LEU C . 11339 1 279 . 1 1 27 27 LEU CA C 13 54.978 0.300 . 1 . . . . 27 LEU CA . 11339 1 280 . 1 1 27 27 LEU CB C 13 44.094 0.300 . 1 . . . . 27 LEU CB . 11339 1 281 . 1 1 27 27 LEU CD1 C 13 25.544 0.300 . 2 . . . . 27 LEU CD1 . 11339 1 282 . 1 1 27 27 LEU CD2 C 13 22.820 0.300 . 2 . . . . 27 LEU CD2 . 11339 1 283 . 1 1 27 27 LEU CG C 13 26.424 0.300 . 1 . . . . 27 LEU CG . 11339 1 284 . 1 1 27 27 LEU N N 15 119.075 0.300 . 1 . . . . 27 LEU N . 11339 1 285 . 1 1 28 28 CYS H H 1 8.798 0.030 . 1 . . . . 28 CYS H . 11339 1 286 . 1 1 28 28 CYS HA H 1 3.887 0.030 . 1 . . . . 28 CYS HA . 11339 1 287 . 1 1 28 28 CYS HB2 H 1 3.475 0.030 . 2 . . . . 28 CYS HB2 . 11339 1 288 . 1 1 28 28 CYS HB3 H 1 2.557 0.030 . 2 . . . . 28 CYS HB3 . 11339 1 289 . 1 1 28 28 CYS C C 13 176.785 0.300 . 1 . . . . 28 CYS C . 11339 1 290 . 1 1 28 28 CYS CA C 13 59.748 0.300 . 1 . . . . 28 CYS CA . 11339 1 291 . 1 1 28 28 CYS CB C 13 31.892 0.300 . 1 . . . . 28 CYS CB . 11339 1 292 . 1 1 28 28 CYS N N 15 122.895 0.300 . 1 . . . . 28 CYS N . 11339 1 293 . 1 1 29 29 LYS H H 1 8.677 0.030 . 1 . . . . 29 LYS H . 11339 1 294 . 1 1 29 29 LYS HA H 1 4.212 0.030 . 1 . . . . 29 LYS HA . 11339 1 295 . 1 1 29 29 LYS HB2 H 1 2.070 0.030 . 2 . . . . 29 LYS HB2 . 11339 1 296 . 1 1 29 29 LYS HB3 H 1 1.695 0.030 . 2 . . . . 29 LYS HB3 . 11339 1 297 . 1 1 29 29 LYS HD2 H 1 1.737 0.030 . 1 . . . . 29 LYS HD2 . 11339 1 298 . 1 1 29 29 LYS HD3 H 1 1.737 0.030 . 1 . . . . 29 LYS HD3 . 11339 1 299 . 1 1 29 29 LYS HE2 H 1 3.142 0.030 . 2 . . . . 29 LYS HE2 . 11339 1 300 . 1 1 29 29 LYS HE3 H 1 3.072 0.030 . 2 . . . . 29 LYS HE3 . 11339 1 301 . 1 1 29 29 LYS HG2 H 1 1.726 0.030 . 2 . . . . 29 LYS HG2 . 11339 1 302 . 1 1 29 29 LYS HG3 H 1 1.658 0.030 . 2 . . . . 29 LYS HG3 . 11339 1 303 . 1 1 29 29 LYS C C 13 176.685 0.300 . 1 . . . . 29 LYS C . 11339 1 304 . 1 1 29 29 LYS CA C 13 56.591 0.300 . 1 . . . . 29 LYS CA . 11339 1 305 . 1 1 29 29 LYS CB C 13 31.798 0.300 . 1 . . . . 29 LYS CB . 11339 1 306 . 1 1 29 29 LYS CD C 13 27.559 0.300 . 1 . . . . 29 LYS CD . 11339 1 307 . 1 1 29 29 LYS CE C 13 42.948 0.300 . 1 . . . . 29 LYS CE . 11339 1 308 . 1 1 29 29 LYS CG C 13 25.540 0.300 . 1 . . . . 29 LYS CG . 11339 1 309 . 1 1 29 29 LYS N N 15 125.843 0.300 . 1 . . . . 29 LYS N . 11339 1 310 . 1 1 30 30 ILE H H 1 9.260 0.030 . 1 . . . . 30 ILE H . 11339 1 311 . 1 1 30 30 ILE HA H 1 4.147 0.030 . 1 . . . . 30 ILE HA . 11339 1 312 . 1 1 30 30 ILE HB H 1 2.362 0.030 . 1 . . . . 30 ILE HB . 11339 1 313 . 1 1 30 30 ILE HD11 H 1 0.750 0.030 . 1 . . . . 30 ILE HD1 . 11339 1 314 . 1 1 30 30 ILE HD12 H 1 0.750 0.030 . 1 . . . . 30 ILE HD1 . 11339 1 315 . 1 1 30 30 ILE HD13 H 1 0.750 0.030 . 1 . . . . 30 ILE HD1 . 11339 1 316 . 1 1 30 30 ILE HG12 H 1 1.259 0.030 . 2 . . . . 30 ILE HG12 . 11339 1 317 . 1 1 30 30 ILE HG13 H 1 1.409 0.030 . 2 . . . . 30 ILE HG13 . 11339 1 318 . 1 1 30 30 ILE HG21 H 1 0.946 0.030 . 1 . . . . 30 ILE HG2 . 11339 1 319 . 1 1 30 30 ILE HG22 H 1 0.946 0.030 . 1 . . . . 30 ILE HG2 . 11339 1 320 . 1 1 30 30 ILE HG23 H 1 0.946 0.030 . 1 . . . . 30 ILE HG2 . 11339 1 321 . 1 1 30 30 ILE C C 13 176.895 0.300 . 1 . . . . 30 ILE C . 11339 1 322 . 1 1 30 30 ILE CA C 13 63.172 0.300 . 1 . . . . 30 ILE CA . 11339 1 323 . 1 1 30 30 ILE CB C 13 36.505 0.300 . 1 . . . . 30 ILE CB . 11339 1 324 . 1 1 30 30 ILE CD1 C 13 11.577 0.300 . 1 . . . . 30 ILE CD1 . 11339 1 325 . 1 1 30 30 ILE CG1 C 13 27.501 0.300 . 1 . . . . 30 ILE CG1 . 11339 1 326 . 1 1 30 30 ILE CG2 C 13 17.205 0.300 . 1 . . . . 30 ILE CG2 . 11339 1 327 . 1 1 30 30 ILE N N 15 121.787 0.300 . 1 . . . . 30 ILE N . 11339 1 328 . 1 1 31 31 CYS H H 1 8.365 0.030 . 1 . . . . 31 CYS H . 11339 1 329 . 1 1 31 31 CYS HA H 1 4.630 0.030 . 1 . . . . 31 CYS HA . 11339 1 330 . 1 1 31 31 CYS HB2 H 1 2.766 0.030 . 2 . . . . 31 CYS HB2 . 11339 1 331 . 1 1 31 31 CYS HB3 H 1 3.169 0.030 . 2 . . . . 31 CYS HB3 . 11339 1 332 . 1 1 31 31 CYS C C 13 175.704 0.300 . 1 . . . . 31 CYS C . 11339 1 333 . 1 1 31 31 CYS CA C 13 59.294 0.300 . 1 . . . . 31 CYS CA . 11339 1 334 . 1 1 31 31 CYS CB C 13 32.146 0.300 . 1 . . . . 31 CYS CB . 11339 1 335 . 1 1 31 31 CYS N N 15 118.725 0.300 . 1 . . . . 31 CYS N . 11339 1 336 . 1 1 32 32 MET H H 1 7.830 0.030 . 1 . . . . 32 MET H . 11339 1 337 . 1 1 32 32 MET HA H 1 4.393 0.030 . 1 . . . . 32 MET HA . 11339 1 338 . 1 1 32 32 MET HB2 H 1 2.239 0.030 . 2 . . . . 32 MET HB2 . 11339 1 339 . 1 1 32 32 MET HB3 H 1 2.115 0.030 . 2 . . . . 32 MET HB3 . 11339 1 340 . 1 1 32 32 MET HE1 H 1 2.018 0.030 . 1 . . . . 32 MET HE . 11339 1 341 . 1 1 32 32 MET HE2 H 1 2.018 0.030 . 1 . . . . 32 MET HE . 11339 1 342 . 1 1 32 32 MET HE3 H 1 2.018 0.030 . 1 . . . . 32 MET HE . 11339 1 343 . 1 1 32 32 MET HG2 H 1 2.406 0.030 . 2 . . . . 32 MET HG2 . 11339 1 344 . 1 1 32 32 MET HG3 H 1 2.447 0.030 . 2 . . . . 32 MET HG3 . 11339 1 345 . 1 1 32 32 MET C C 13 174.940 0.300 . 1 . . . . 32 MET C . 11339 1 346 . 1 1 32 32 MET CA C 13 56.667 0.300 . 1 . . . . 32 MET CA . 11339 1 347 . 1 1 32 32 MET CB C 13 29.679 0.300 . 1 . . . . 32 MET CB . 11339 1 348 . 1 1 32 32 MET CE C 13 17.051 0.300 . 1 . . . . 32 MET CE . 11339 1 349 . 1 1 32 32 MET CG C 13 32.866 0.300 . 1 . . . . 32 MET CG . 11339 1 350 . 1 1 32 32 MET N N 15 119.293 0.300 . 1 . . . . 32 MET N . 11339 1 351 . 1 1 33 33 ASP H H 1 8.250 0.030 . 1 . . . . 33 ASP H . 11339 1 352 . 1 1 33 33 ASP HA H 1 4.881 0.030 . 1 . . . . 33 ASP HA . 11339 1 353 . 1 1 33 33 ASP HB2 H 1 2.603 0.030 . 2 . . . . 33 ASP HB2 . 11339 1 354 . 1 1 33 33 ASP HB3 H 1 2.765 0.030 . 2 . . . . 33 ASP HB3 . 11339 1 355 . 1 1 33 33 ASP C C 13 175.031 0.300 . 1 . . . . 33 ASP C . 11339 1 356 . 1 1 33 33 ASP CA C 13 55.326 0.300 . 1 . . . . 33 ASP CA . 11339 1 357 . 1 1 33 33 ASP CB C 13 44.421 0.300 . 1 . . . . 33 ASP CB . 11339 1 358 . 1 1 33 33 ASP N N 15 118.238 0.300 . 1 . . . . 33 ASP N . 11339 1 359 . 1 1 34 34 ARG H H 1 7.408 0.030 . 1 . . . . 34 ARG H . 11339 1 360 . 1 1 34 34 ARG HA H 1 4.367 0.030 . 1 . . . . 34 ARG HA . 11339 1 361 . 1 1 34 34 ARG HB2 H 1 1.944 0.030 . 2 . . . . 34 ARG HB2 . 11339 1 362 . 1 1 34 34 ARG HB3 H 1 1.872 0.030 . 2 . . . . 34 ARG HB3 . 11339 1 363 . 1 1 34 34 ARG HD2 H 1 3.416 0.030 . 1 . . . . 34 ARG HD2 . 11339 1 364 . 1 1 34 34 ARG HD3 H 1 3.416 0.030 . 1 . . . . 34 ARG HD3 . 11339 1 365 . 1 1 34 34 ARG HE H 1 8.151 0.030 . 1 . . . . 34 ARG HE . 11339 1 366 . 1 1 34 34 ARG HG2 H 1 1.682 0.030 . 2 . . . . 34 ARG HG2 . 11339 1 367 . 1 1 34 34 ARG HG3 H 1 1.646 0.030 . 2 . . . . 34 ARG HG3 . 11339 1 368 . 1 1 34 34 ARG C C 13 174.692 0.300 . 1 . . . . 34 ARG C . 11339 1 369 . 1 1 34 34 ARG CA C 13 55.191 0.300 . 1 . . . . 34 ARG CA . 11339 1 370 . 1 1 34 34 ARG CB C 13 33.581 0.300 . 1 . . . . 34 ARG CB . 11339 1 371 . 1 1 34 34 ARG CD C 13 43.205 0.300 . 1 . . . . 34 ARG CD . 11339 1 372 . 1 1 34 34 ARG CG C 13 29.037 0.300 . 1 . . . . 34 ARG CG . 11339 1 373 . 1 1 34 34 ARG N N 15 119.284 0.300 . 1 . . . . 34 ARG N . 11339 1 374 . 1 1 34 34 ARG NE N 15 89.081 0.300 . 1 . . . . 34 ARG NE . 11339 1 375 . 1 1 35 35 ASN H H 1 8.424 0.030 . 1 . . . . 35 ASN H . 11339 1 376 . 1 1 35 35 ASN HA H 1 5.089 0.030 . 1 . . . . 35 ASN HA . 11339 1 377 . 1 1 35 35 ASN HB2 H 1 2.826 0.030 . 2 . . . . 35 ASN HB2 . 11339 1 378 . 1 1 35 35 ASN HB3 H 1 2.609 0.030 . 2 . . . . 35 ASN HB3 . 11339 1 379 . 1 1 35 35 ASN HD21 H 1 6.851 0.030 . 2 . . . . 35 ASN HD21 . 11339 1 380 . 1 1 35 35 ASN HD22 H 1 7.453 0.030 . 2 . . . . 35 ASN HD22 . 11339 1 381 . 1 1 35 35 ASN C C 13 176.553 0.300 . 1 . . . . 35 ASN C . 11339 1 382 . 1 1 35 35 ASN CA C 13 52.747 0.300 . 1 . . . . 35 ASN CA . 11339 1 383 . 1 1 35 35 ASN CB C 13 39.177 0.300 . 1 . . . . 35 ASN CB . 11339 1 384 . 1 1 35 35 ASN N N 15 117.711 0.300 . 1 . . . . 35 ASN N . 11339 1 385 . 1 1 35 35 ASN ND2 N 15 110.048 0.300 . 1 . . . . 35 ASN ND2 . 11339 1 386 . 1 1 36 36 ILE H H 1 8.622 0.030 . 1 . . . . 36 ILE H . 11339 1 387 . 1 1 36 36 ILE HA H 1 3.152 0.030 . 1 . . . . 36 ILE HA . 11339 1 388 . 1 1 36 36 ILE HB H 1 1.402 0.030 . 1 . . . . 36 ILE HB . 11339 1 389 . 1 1 36 36 ILE HD11 H 1 0.752 0.030 . 1 . . . . 36 ILE HD1 . 11339 1 390 . 1 1 36 36 ILE HD12 H 1 0.752 0.030 . 1 . . . . 36 ILE HD1 . 11339 1 391 . 1 1 36 36 ILE HD13 H 1 0.752 0.030 . 1 . . . . 36 ILE HD1 . 11339 1 392 . 1 1 36 36 ILE HG12 H 1 0.838 0.030 . 2 . . . . 36 ILE HG12 . 11339 1 393 . 1 1 36 36 ILE HG13 H 1 1.306 0.030 . 2 . . . . 36 ILE HG13 . 11339 1 394 . 1 1 36 36 ILE HG21 H 1 0.670 0.030 . 1 . . . . 36 ILE HG2 . 11339 1 395 . 1 1 36 36 ILE HG22 H 1 0.670 0.030 . 1 . . . . 36 ILE HG2 . 11339 1 396 . 1 1 36 36 ILE HG23 H 1 0.670 0.030 . 1 . . . . 36 ILE HG2 . 11339 1 397 . 1 1 36 36 ILE C C 13 175.941 0.300 . 1 . . . . 36 ILE C . 11339 1 398 . 1 1 36 36 ILE CA C 13 63.682 0.300 . 1 . . . . 36 ILE CA . 11339 1 399 . 1 1 36 36 ILE CB C 13 38.595 0.300 . 1 . . . . 36 ILE CB . 11339 1 400 . 1 1 36 36 ILE CD1 C 13 13.925 0.300 . 1 . . . . 36 ILE CD1 . 11339 1 401 . 1 1 36 36 ILE CG1 C 13 26.830 0.300 . 1 . . . . 36 ILE CG1 . 11339 1 402 . 1 1 36 36 ILE CG2 C 13 18.163 0.300 . 1 . . . . 36 ILE CG2 . 11339 1 403 . 1 1 36 36 ILE N N 15 118.192 0.300 . 1 . . . . 36 ILE N . 11339 1 404 . 1 1 37 37 ALA H H 1 8.740 0.030 . 1 . . . . 37 ALA H . 11339 1 405 . 1 1 37 37 ALA HA H 1 4.460 0.030 . 1 . . . . 37 ALA HA . 11339 1 406 . 1 1 37 37 ALA HB1 H 1 1.448 0.030 . 1 . . . . 37 ALA HB . 11339 1 407 . 1 1 37 37 ALA HB2 H 1 1.448 0.030 . 1 . . . . 37 ALA HB . 11339 1 408 . 1 1 37 37 ALA HB3 H 1 1.448 0.030 . 1 . . . . 37 ALA HB . 11339 1 409 . 1 1 37 37 ALA C C 13 174.561 0.300 . 1 . . . . 37 ALA C . 11339 1 410 . 1 1 37 37 ALA CA C 13 52.198 0.300 . 1 . . . . 37 ALA CA . 11339 1 411 . 1 1 37 37 ALA CB C 13 23.957 0.300 . 1 . . . . 37 ALA CB . 11339 1 412 . 1 1 37 37 ALA N N 15 124.404 0.300 . 1 . . . . 37 ALA N . 11339 1 413 . 1 1 38 38 ILE H H 1 7.208 0.030 . 1 . . . . 38 ILE H . 11339 1 414 . 1 1 38 38 ILE HA H 1 4.829 0.030 . 1 . . . . 38 ILE HA . 11339 1 415 . 1 1 38 38 ILE HB H 1 1.793 0.030 . 1 . . . . 38 ILE HB . 11339 1 416 . 1 1 38 38 ILE HD11 H 1 0.560 0.030 . 1 . . . . 38 ILE HD1 . 11339 1 417 . 1 1 38 38 ILE HD12 H 1 0.560 0.030 . 1 . . . . 38 ILE HD1 . 11339 1 418 . 1 1 38 38 ILE HD13 H 1 0.560 0.030 . 1 . . . . 38 ILE HD1 . 11339 1 419 . 1 1 38 38 ILE HG12 H 1 1.068 0.030 . 2 . . . . 38 ILE HG12 . 11339 1 420 . 1 1 38 38 ILE HG13 H 1 1.179 0.030 . 2 . . . . 38 ILE HG13 . 11339 1 421 . 1 1 38 38 ILE HG21 H 1 0.454 0.030 . 1 . . . . 38 ILE HG2 . 11339 1 422 . 1 1 38 38 ILE HG22 H 1 0.454 0.030 . 1 . . . . 38 ILE HG2 . 11339 1 423 . 1 1 38 38 ILE HG23 H 1 0.454 0.030 . 1 . . . . 38 ILE HG2 . 11339 1 424 . 1 1 38 38 ILE C C 13 175.273 0.300 . 1 . . . . 38 ILE C . 11339 1 425 . 1 1 38 38 ILE CA C 13 56.663 0.300 . 1 . . . . 38 ILE CA . 11339 1 426 . 1 1 38 38 ILE CB C 13 39.453 0.300 . 1 . . . . 38 ILE CB . 11339 1 427 . 1 1 38 38 ILE CD1 C 13 9.396 0.300 . 1 . . . . 38 ILE CD1 . 11339 1 428 . 1 1 38 38 ILE CG1 C 13 25.781 0.300 . 1 . . . . 38 ILE CG1 . 11339 1 429 . 1 1 38 38 ILE CG2 C 13 18.401 0.300 . 1 . . . . 38 ILE CG2 . 11339 1 430 . 1 1 38 38 ILE N N 15 119.076 0.300 . 1 . . . . 38 ILE N . 11339 1 431 . 1 1 39 39 VAL H H 1 9.362 0.030 . 1 . . . . 39 VAL H . 11339 1 432 . 1 1 39 39 VAL HA H 1 4.455 0.030 . 1 . . . . 39 VAL HA . 11339 1 433 . 1 1 39 39 VAL HB H 1 1.725 0.030 . 1 . . . . 39 VAL HB . 11339 1 434 . 1 1 39 39 VAL HG11 H 1 0.819 0.030 . 1 . . . . 39 VAL HG1 . 11339 1 435 . 1 1 39 39 VAL HG12 H 1 0.819 0.030 . 1 . . . . 39 VAL HG1 . 11339 1 436 . 1 1 39 39 VAL HG13 H 1 0.819 0.030 . 1 . . . . 39 VAL HG1 . 11339 1 437 . 1 1 39 39 VAL HG21 H 1 0.776 0.030 . 1 . . . . 39 VAL HG2 . 11339 1 438 . 1 1 39 39 VAL HG22 H 1 0.776 0.030 . 1 . . . . 39 VAL HG2 . 11339 1 439 . 1 1 39 39 VAL HG23 H 1 0.776 0.030 . 1 . . . . 39 VAL HG2 . 11339 1 440 . 1 1 39 39 VAL C C 13 173.822 0.300 . 1 . . . . 39 VAL C . 11339 1 441 . 1 1 39 39 VAL CA C 13 59.381 0.300 . 1 . . . . 39 VAL CA . 11339 1 442 . 1 1 39 39 VAL CB C 13 34.387 0.300 . 1 . . . . 39 VAL CB . 11339 1 443 . 1 1 39 39 VAL CG1 C 13 22.944 0.300 . 2 . . . . 39 VAL CG1 . 11339 1 444 . 1 1 39 39 VAL CG2 C 13 20.822 0.300 . 2 . . . . 39 VAL CG2 . 11339 1 445 . 1 1 39 39 VAL N N 15 127.553 0.300 . 1 . . . . 39 VAL N . 11339 1 446 . 1 1 40 40 PHE H H 1 7.848 0.030 . 1 . . . . 40 PHE H . 11339 1 447 . 1 1 40 40 PHE HA H 1 5.220 0.030 . 1 . . . . 40 PHE HA . 11339 1 448 . 1 1 40 40 PHE HB2 H 1 3.655 0.030 . 2 . . . . 40 PHE HB2 . 11339 1 449 . 1 1 40 40 PHE HB3 H 1 3.312 0.030 . 2 . . . . 40 PHE HB3 . 11339 1 450 . 1 1 40 40 PHE HD1 H 1 7.374 0.030 . 1 . . . . 40 PHE HD1 . 11339 1 451 . 1 1 40 40 PHE HD2 H 1 7.374 0.030 . 1 . . . . 40 PHE HD2 . 11339 1 452 . 1 1 40 40 PHE HE1 H 1 7.184 0.030 . 1 . . . . 40 PHE HE1 . 11339 1 453 . 1 1 40 40 PHE HE2 H 1 7.184 0.030 . 1 . . . . 40 PHE HE2 . 11339 1 454 . 1 1 40 40 PHE HZ H 1 7.092 0.030 . 1 . . . . 40 PHE HZ . 11339 1 455 . 1 1 40 40 PHE C C 13 174.108 0.300 . 1 . . . . 40 PHE C . 11339 1 456 . 1 1 40 40 PHE CA C 13 54.055 0.300 . 1 . . . . 40 PHE CA . 11339 1 457 . 1 1 40 40 PHE CB C 13 39.459 0.300 . 1 . . . . 40 PHE CB . 11339 1 458 . 1 1 40 40 PHE CD1 C 13 131.020 0.300 . 1 . . . . 40 PHE CD1 . 11339 1 459 . 1 1 40 40 PHE CD2 C 13 131.020 0.300 . 1 . . . . 40 PHE CD2 . 11339 1 460 . 1 1 40 40 PHE CE1 C 13 131.126 0.300 . 1 . . . . 40 PHE CE1 . 11339 1 461 . 1 1 40 40 PHE CE2 C 13 131.126 0.300 . 1 . . . . 40 PHE CE2 . 11339 1 462 . 1 1 40 40 PHE CZ C 13 130.181 0.300 . 1 . . . . 40 PHE CZ . 11339 1 463 . 1 1 40 40 PHE N N 15 126.104 0.300 . 1 . . . . 40 PHE N . 11339 1 464 . 1 1 41 41 VAL H H 1 8.752 0.030 . 1 . . . . 41 VAL H . 11339 1 465 . 1 1 41 41 VAL HA H 1 4.506 0.030 . 1 . . . . 41 VAL HA . 11339 1 466 . 1 1 41 41 VAL HB H 1 2.195 0.030 . 1 . . . . 41 VAL HB . 11339 1 467 . 1 1 41 41 VAL HG11 H 1 0.940 0.030 . 1 . . . . 41 VAL HG1 . 11339 1 468 . 1 1 41 41 VAL HG12 H 1 0.940 0.030 . 1 . . . . 41 VAL HG1 . 11339 1 469 . 1 1 41 41 VAL HG13 H 1 0.940 0.030 . 1 . . . . 41 VAL HG1 . 11339 1 470 . 1 1 41 41 VAL HG21 H 1 0.995 0.030 . 1 . . . . 41 VAL HG2 . 11339 1 471 . 1 1 41 41 VAL HG22 H 1 0.995 0.030 . 1 . . . . 41 VAL HG2 . 11339 1 472 . 1 1 41 41 VAL HG23 H 1 0.995 0.030 . 1 . . . . 41 VAL HG2 . 11339 1 473 . 1 1 41 41 VAL C C 13 176.465 0.300 . 1 . . . . 41 VAL C . 11339 1 474 . 1 1 41 41 VAL CA C 13 58.605 0.300 . 1 . . . . 41 VAL CA . 11339 1 475 . 1 1 41 41 VAL CB C 13 34.601 0.300 . 1 . . . . 41 VAL CB . 11339 1 476 . 1 1 41 41 VAL CG1 C 13 19.104 0.300 . 2 . . . . 41 VAL CG1 . 11339 1 477 . 1 1 41 41 VAL CG2 C 13 19.317 0.300 . 2 . . . . 41 VAL CG2 . 11339 1 478 . 1 1 41 41 VAL N N 15 125.884 0.300 . 1 . . . . 41 VAL N . 11339 1 479 . 1 1 42 42 PRO HA H 1 5.056 0.030 . 1 . . . . 42 PRO HA . 11339 1 480 . 1 1 42 42 PRO HB2 H 1 2.213 0.030 . 2 . . . . 42 PRO HB2 . 11339 1 481 . 1 1 42 42 PRO HB3 H 1 2.320 0.030 . 2 . . . . 42 PRO HB3 . 11339 1 482 . 1 1 42 42 PRO HD2 H 1 3.811 0.030 . 2 . . . . 42 PRO HD2 . 11339 1 483 . 1 1 42 42 PRO HD3 H 1 4.086 0.030 . 2 . . . . 42 PRO HD3 . 11339 1 484 . 1 1 42 42 PRO HG2 H 1 2.081 0.030 . 2 . . . . 42 PRO HG2 . 11339 1 485 . 1 1 42 42 PRO HG3 H 1 1.800 0.030 . 2 . . . . 42 PRO HG3 . 11339 1 486 . 1 1 42 42 PRO C C 13 178.334 0.300 . 1 . . . . 42 PRO C . 11339 1 487 . 1 1 42 42 PRO CA C 13 64.088 0.300 . 1 . . . . 42 PRO CA . 11339 1 488 . 1 1 42 42 PRO CB C 13 35.274 0.300 . 1 . . . . 42 PRO CB . 11339 1 489 . 1 1 42 42 PRO CD C 13 50.021 0.300 . 1 . . . . 42 PRO CD . 11339 1 490 . 1 1 42 42 PRO CG C 13 24.518 0.300 . 1 . . . . 42 PRO CG . 11339 1 491 . 1 1 43 43 CYS H H 1 8.270 0.030 . 1 . . . . 43 CYS H . 11339 1 492 . 1 1 43 43 CYS HA H 1 4.477 0.030 . 1 . . . . 43 CYS HA . 11339 1 493 . 1 1 43 43 CYS HB2 H 1 3.172 0.030 . 2 . . . . 43 CYS HB2 . 11339 1 494 . 1 1 43 43 CYS HB3 H 1 2.724 0.030 . 2 . . . . 43 CYS HB3 . 11339 1 495 . 1 1 43 43 CYS C C 13 176.235 0.300 . 1 . . . . 43 CYS C . 11339 1 496 . 1 1 43 43 CYS CA C 13 61.985 0.300 . 1 . . . . 43 CYS CA . 11339 1 497 . 1 1 43 43 CYS CB C 13 30.939 0.300 . 1 . . . . 43 CYS CB . 11339 1 498 . 1 1 43 43 CYS N N 15 123.072 0.300 . 1 . . . . 43 CYS N . 11339 1 499 . 1 1 44 44 GLY H H 1 8.749 0.030 . 1 . . . . 44 GLY H . 11339 1 500 . 1 1 44 44 GLY HA2 H 1 4.616 0.030 . 2 . . . . 44 GLY HA2 . 11339 1 501 . 1 1 44 44 GLY HA3 H 1 3.608 0.030 . 2 . . . . 44 GLY HA3 . 11339 1 502 . 1 1 44 44 GLY C C 13 174.989 0.300 . 1 . . . . 44 GLY C . 11339 1 503 . 1 1 44 44 GLY CA C 13 47.126 0.300 . 1 . . . . 44 GLY CA . 11339 1 504 . 1 1 44 44 GLY N N 15 110.574 0.300 . 1 . . . . 44 GLY N . 11339 1 505 . 1 1 45 45 HIS H H 1 9.014 0.030 . 1 . . . . 45 HIS H . 11339 1 506 . 1 1 45 45 HIS HA H 1 4.865 0.030 . 1 . . . . 45 HIS HA . 11339 1 507 . 1 1 45 45 HIS HB2 H 1 3.637 0.030 . 2 . . . . 45 HIS HB2 . 11339 1 508 . 1 1 45 45 HIS HB3 H 1 2.980 0.030 . 2 . . . . 45 HIS HB3 . 11339 1 509 . 1 1 45 45 HIS HD2 H 1 7.037 0.030 . 1 . . . . 45 HIS HD2 . 11339 1 510 . 1 1 45 45 HIS HE1 H 1 7.472 0.030 . 1 . . . . 45 HIS HE1 . 11339 1 511 . 1 1 45 45 HIS C C 13 174.850 0.300 . 1 . . . . 45 HIS C . 11339 1 512 . 1 1 45 45 HIS CA C 13 62.405 0.300 . 1 . . . . 45 HIS CA . 11339 1 513 . 1 1 45 45 HIS CB C 13 30.602 0.300 . 1 . . . . 45 HIS CB . 11339 1 514 . 1 1 45 45 HIS CD2 C 13 119.079 0.300 . 1 . . . . 45 HIS CD2 . 11339 1 515 . 1 1 45 45 HIS CE1 C 13 137.876 0.300 . 1 . . . . 45 HIS CE1 . 11339 1 516 . 1 1 45 45 HIS N N 15 121.613 0.300 . 1 . . . . 45 HIS N . 11339 1 517 . 1 1 46 46 LEU H H 1 8.730 0.030 . 1 . . . . 46 LEU H . 11339 1 518 . 1 1 46 46 LEU HA H 1 4.848 0.030 . 1 . . . . 46 LEU HA . 11339 1 519 . 1 1 46 46 LEU HB2 H 1 1.785 0.030 . 2 . . . . 46 LEU HB2 . 11339 1 520 . 1 1 46 46 LEU HB3 H 1 1.348 0.030 . 2 . . . . 46 LEU HB3 . 11339 1 521 . 1 1 46 46 LEU HD11 H 1 0.639 0.030 . 1 . . . . 46 LEU HD1 . 11339 1 522 . 1 1 46 46 LEU HD12 H 1 0.639 0.030 . 1 . . . . 46 LEU HD1 . 11339 1 523 . 1 1 46 46 LEU HD13 H 1 0.639 0.030 . 1 . . . . 46 LEU HD1 . 11339 1 524 . 1 1 46 46 LEU HD21 H 1 0.703 0.030 . 1 . . . . 46 LEU HD2 . 11339 1 525 . 1 1 46 46 LEU HD22 H 1 0.703 0.030 . 1 . . . . 46 LEU HD2 . 11339 1 526 . 1 1 46 46 LEU HD23 H 1 0.703 0.030 . 1 . . . . 46 LEU HD2 . 11339 1 527 . 1 1 46 46 LEU HG H 1 1.769 0.030 . 1 . . . . 46 LEU HG . 11339 1 528 . 1 1 46 46 LEU C C 13 174.880 0.300 . 1 . . . . 46 LEU C . 11339 1 529 . 1 1 46 46 LEU CA C 13 53.478 0.300 . 1 . . . . 46 LEU CA . 11339 1 530 . 1 1 46 46 LEU CB C 13 42.220 0.300 . 1 . . . . 46 LEU CB . 11339 1 531 . 1 1 46 46 LEU CD1 C 13 24.826 0.300 . 2 . . . . 46 LEU CD1 . 11339 1 532 . 1 1 46 46 LEU CD2 C 13 26.316 0.300 . 2 . . . . 46 LEU CD2 . 11339 1 533 . 1 1 46 46 LEU CG C 13 27.110 0.300 . 1 . . . . 46 LEU CG . 11339 1 534 . 1 1 46 46 LEU N N 15 128.942 0.300 . 1 . . . . 46 LEU N . 11339 1 535 . 1 1 47 47 VAL H H 1 8.575 0.030 . 1 . . . . 47 VAL H . 11339 1 536 . 1 1 47 47 VAL HA H 1 4.648 0.030 . 1 . . . . 47 VAL HA . 11339 1 537 . 1 1 47 47 VAL HB H 1 2.332 0.030 . 1 . . . . 47 VAL HB . 11339 1 538 . 1 1 47 47 VAL HG11 H 1 1.000 0.030 . 1 . . . . 47 VAL HG1 . 11339 1 539 . 1 1 47 47 VAL HG12 H 1 1.000 0.030 . 1 . . . . 47 VAL HG1 . 11339 1 540 . 1 1 47 47 VAL HG13 H 1 1.000 0.030 . 1 . . . . 47 VAL HG1 . 11339 1 541 . 1 1 47 47 VAL HG21 H 1 0.844 0.030 . 1 . . . . 47 VAL HG2 . 11339 1 542 . 1 1 47 47 VAL HG22 H 1 0.844 0.030 . 1 . . . . 47 VAL HG2 . 11339 1 543 . 1 1 47 47 VAL HG23 H 1 0.844 0.030 . 1 . . . . 47 VAL HG2 . 11339 1 544 . 1 1 47 47 VAL C C 13 174.415 0.300 . 1 . . . . 47 VAL C . 11339 1 545 . 1 1 47 47 VAL CA C 13 61.284 0.300 . 1 . . . . 47 VAL CA . 11339 1 546 . 1 1 47 47 VAL CB C 13 35.885 0.300 . 1 . . . . 47 VAL CB . 11339 1 547 . 1 1 47 47 VAL CG1 C 13 21.942 0.300 . 2 . . . . 47 VAL CG1 . 11339 1 548 . 1 1 47 47 VAL CG2 C 13 19.370 0.300 . 2 . . . . 47 VAL CG2 . 11339 1 549 . 1 1 47 47 VAL N N 15 112.238 0.300 . 1 . . . . 47 VAL N . 11339 1 550 . 1 1 48 48 THR H H 1 7.352 0.030 . 1 . . . . 48 THR H . 11339 1 551 . 1 1 48 48 THR HA H 1 6.626 0.030 . 1 . . . . 48 THR HA . 11339 1 552 . 1 1 48 48 THR HB H 1 4.489 0.030 . 1 . . . . 48 THR HB . 11339 1 553 . 1 1 48 48 THR HG21 H 1 1.166 0.030 . 1 . . . . 48 THR HG2 . 11339 1 554 . 1 1 48 48 THR HG22 H 1 1.166 0.030 . 1 . . . . 48 THR HG2 . 11339 1 555 . 1 1 48 48 THR HG23 H 1 1.166 0.030 . 1 . . . . 48 THR HG2 . 11339 1 556 . 1 1 48 48 THR C C 13 176.134 0.300 . 1 . . . . 48 THR C . 11339 1 557 . 1 1 48 48 THR CA C 13 59.354 0.300 . 1 . . . . 48 THR CA . 11339 1 558 . 1 1 48 48 THR CB C 13 73.384 0.300 . 1 . . . . 48 THR CB . 11339 1 559 . 1 1 48 48 THR CG2 C 13 23.105 0.300 . 1 . . . . 48 THR CG2 . 11339 1 560 . 1 1 48 48 THR N N 15 107.817 0.300 . 1 . . . . 48 THR N . 11339 1 561 . 1 1 49 49 CYS H H 1 9.068 0.030 . 1 . . . . 49 CYS H . 11339 1 562 . 1 1 49 49 CYS HA H 1 4.876 0.030 . 1 . . . . 49 CYS HA . 11339 1 563 . 1 1 49 49 CYS HB2 H 1 3.463 0.030 . 2 . . . . 49 CYS HB2 . 11339 1 564 . 1 1 49 49 CYS HB3 H 1 2.715 0.030 . 2 . . . . 49 CYS HB3 . 11339 1 565 . 1 1 49 49 CYS C C 13 174.319 0.300 . 1 . . . . 49 CYS C . 11339 1 566 . 1 1 49 49 CYS CA C 13 58.054 0.300 . 1 . . . . 49 CYS CA . 11339 1 567 . 1 1 49 49 CYS CB C 13 32.804 0.300 . 1 . . . . 49 CYS CB . 11339 1 568 . 1 1 49 49 CYS N N 15 120.803 0.300 . 1 . . . . 49 CYS N . 11339 1 569 . 1 1 50 50 LYS H H 1 8.695 0.030 . 1 . . . . 50 LYS H . 11339 1 570 . 1 1 50 50 LYS HA H 1 3.830 0.030 . 1 . . . . 50 LYS HA . 11339 1 571 . 1 1 50 50 LYS HB2 H 1 1.773 0.030 . 1 . . . . 50 LYS HB2 . 11339 1 572 . 1 1 50 50 LYS HB3 H 1 1.773 0.030 . 1 . . . . 50 LYS HB3 . 11339 1 573 . 1 1 50 50 LYS HD2 H 1 1.665 0.030 . 1 . . . . 50 LYS HD2 . 11339 1 574 . 1 1 50 50 LYS HD3 H 1 1.665 0.030 . 1 . . . . 50 LYS HD3 . 11339 1 575 . 1 1 50 50 LYS HE2 H 1 1.792 0.030 . 2 . . . . 50 LYS HE2 . 11339 1 576 . 1 1 50 50 LYS HE3 H 1 1.349 0.030 . 2 . . . . 50 LYS HE3 . 11339 1 577 . 1 1 50 50 LYS HG2 H 1 1.468 0.030 . 2 . . . . 50 LYS HG2 . 11339 1 578 . 1 1 50 50 LYS HG3 H 1 1.371 0.030 . 2 . . . . 50 LYS HG3 . 11339 1 579 . 1 1 50 50 LYS C C 13 178.077 0.300 . 1 . . . . 50 LYS C . 11339 1 580 . 1 1 50 50 LYS CA C 13 60.533 0.300 . 1 . . . . 50 LYS CA . 11339 1 581 . 1 1 50 50 LYS CB C 13 32.522 0.300 . 1 . . . . 50 LYS CB . 11339 1 582 . 1 1 50 50 LYS CD C 13 29.505 0.300 . 1 . . . . 50 LYS CD . 11339 1 583 . 1 1 50 50 LYS CE C 13 42.272 0.300 . 1 . . . . 50 LYS CE . 11339 1 584 . 1 1 50 50 LYS CG C 13 25.175 0.300 . 1 . . . . 50 LYS CG . 11339 1 585 . 1 1 50 50 LYS N N 15 118.742 0.300 . 1 . . . . 50 LYS N . 11339 1 586 . 1 1 51 51 GLN H H 1 8.592 0.030 . 1 . . . . 51 GLN H . 11339 1 587 . 1 1 51 51 GLN HA H 1 4.042 0.030 . 1 . . . . 51 GLN HA . 11339 1 588 . 1 1 51 51 GLN HB2 H 1 2.055 0.030 . 2 . . . . 51 GLN HB2 . 11339 1 589 . 1 1 51 51 GLN HB3 H 1 2.277 0.030 . 2 . . . . 51 GLN HB3 . 11339 1 590 . 1 1 51 51 GLN HE21 H 1 7.554 0.030 . 2 . . . . 51 GLN HE21 . 11339 1 591 . 1 1 51 51 GLN HE22 H 1 6.861 0.030 . 2 . . . . 51 GLN HE22 . 11339 1 592 . 1 1 51 51 GLN HG2 H 1 2.513 0.030 . 2 . . . . 51 GLN HG2 . 11339 1 593 . 1 1 51 51 GLN HG3 H 1 2.405 0.030 . 2 . . . . 51 GLN HG3 . 11339 1 594 . 1 1 51 51 GLN C C 13 179.860 0.300 . 1 . . . . 51 GLN C . 11339 1 595 . 1 1 51 51 GLN CA C 13 60.237 0.300 . 1 . . . . 51 GLN CA . 11339 1 596 . 1 1 51 51 GLN CB C 13 28.508 0.300 . 1 . . . . 51 GLN CB . 11339 1 597 . 1 1 51 51 GLN CG C 13 34.713 0.300 . 1 . . . . 51 GLN CG . 11339 1 598 . 1 1 51 51 GLN N N 15 119.651 0.300 . 1 . . . . 51 GLN N . 11339 1 599 . 1 1 51 51 GLN NE2 N 15 111.149 0.300 . 1 . . . . 51 GLN NE2 . 11339 1 600 . 1 1 52 52 CYS H H 1 9.087 0.030 . 1 . . . . 52 CYS H . 11339 1 601 . 1 1 52 52 CYS HA H 1 3.988 0.030 . 1 . . . . 52 CYS HA . 11339 1 602 . 1 1 52 52 CYS HB2 H 1 2.970 0.030 . 2 . . . . 52 CYS HB2 . 11339 1 603 . 1 1 52 52 CYS HB3 H 1 2.885 0.030 . 2 . . . . 52 CYS HB3 . 11339 1 604 . 1 1 52 52 CYS C C 13 177.990 0.300 . 1 . . . . 52 CYS C . 11339 1 605 . 1 1 52 52 CYS CA C 13 63.910 0.300 . 1 . . . . 52 CYS CA . 11339 1 606 . 1 1 52 52 CYS CB C 13 29.906 0.300 . 1 . . . . 52 CYS CB . 11339 1 607 . 1 1 52 52 CYS N N 15 123.611 0.300 . 1 . . . . 52 CYS N . 11339 1 608 . 1 1 53 53 ALA H H 1 7.937 0.030 . 1 . . . . 53 ALA H . 11339 1 609 . 1 1 53 53 ALA HA H 1 4.159 0.030 . 1 . . . . 53 ALA HA . 11339 1 610 . 1 1 53 53 ALA HB1 H 1 1.701 0.030 . 1 . . . . 53 ALA HB . 11339 1 611 . 1 1 53 53 ALA HB2 H 1 1.701 0.030 . 1 . . . . 53 ALA HB . 11339 1 612 . 1 1 53 53 ALA HB3 H 1 1.701 0.030 . 1 . . . . 53 ALA HB . 11339 1 613 . 1 1 53 53 ALA C C 13 179.862 0.300 . 1 . . . . 53 ALA C . 11339 1 614 . 1 1 53 53 ALA CA C 13 54.539 0.300 . 1 . . . . 53 ALA CA . 11339 1 615 . 1 1 53 53 ALA CB C 13 19.528 0.300 . 1 . . . . 53 ALA CB . 11339 1 616 . 1 1 53 53 ALA N N 15 118.823 0.300 . 1 . . . . 53 ALA N . 11339 1 617 . 1 1 54 54 GLU H H 1 7.469 0.030 . 1 . . . . 54 GLU H . 11339 1 618 . 1 1 54 54 GLU HA H 1 3.927 0.030 . 1 . . . . 54 GLU HA . 11339 1 619 . 1 1 54 54 GLU HB2 H 1 2.090 0.030 . 1 . . . . 54 GLU HB2 . 11339 1 620 . 1 1 54 54 GLU HB3 H 1 2.090 0.030 . 1 . . . . 54 GLU HB3 . 11339 1 621 . 1 1 54 54 GLU HG2 H 1 2.347 0.030 . 2 . . . . 54 GLU HG2 . 11339 1 622 . 1 1 54 54 GLU HG3 H 1 2.498 0.030 . 2 . . . . 54 GLU HG3 . 11339 1 623 . 1 1 54 54 GLU C C 13 176.959 0.300 . 1 . . . . 54 GLU C . 11339 1 624 . 1 1 54 54 GLU CA C 13 59.214 0.300 . 1 . . . . 54 GLU CA . 11339 1 625 . 1 1 54 54 GLU CB C 13 29.893 0.300 . 1 . . . . 54 GLU CB . 11339 1 626 . 1 1 54 54 GLU CG C 13 36.099 0.300 . 1 . . . . 54 GLU CG . 11339 1 627 . 1 1 54 54 GLU N N 15 116.136 0.300 . 1 . . . . 54 GLU N . 11339 1 628 . 1 1 55 55 ALA H H 1 7.379 0.030 . 1 . . . . 55 ALA H . 11339 1 629 . 1 1 55 55 ALA HA H 1 4.383 0.030 . 1 . . . . 55 ALA HA . 11339 1 630 . 1 1 55 55 ALA HB1 H 1 1.489 0.030 . 1 . . . . 55 ALA HB . 11339 1 631 . 1 1 55 55 ALA HB2 H 1 1.489 0.030 . 1 . . . . 55 ALA HB . 11339 1 632 . 1 1 55 55 ALA HB3 H 1 1.489 0.030 . 1 . . . . 55 ALA HB . 11339 1 633 . 1 1 55 55 ALA C C 13 177.488 0.300 . 1 . . . . 55 ALA C . 11339 1 634 . 1 1 55 55 ALA CA C 13 52.384 0.300 . 1 . . . . 55 ALA CA . 11339 1 635 . 1 1 55 55 ALA CB C 13 19.807 0.300 . 1 . . . . 55 ALA CB . 11339 1 636 . 1 1 55 55 ALA N N 15 117.372 0.300 . 1 . . . . 55 ALA N . 11339 1 637 . 1 1 56 56 VAL H H 1 6.960 0.030 . 1 . . . . 56 VAL H . 11339 1 638 . 1 1 56 56 VAL HA H 1 4.463 0.030 . 1 . . . . 56 VAL HA . 11339 1 639 . 1 1 56 56 VAL HB H 1 2.168 0.030 . 1 . . . . 56 VAL HB . 11339 1 640 . 1 1 56 56 VAL HG11 H 1 0.878 0.030 . 1 . . . . 56 VAL HG1 . 11339 1 641 . 1 1 56 56 VAL HG12 H 1 0.878 0.030 . 1 . . . . 56 VAL HG1 . 11339 1 642 . 1 1 56 56 VAL HG13 H 1 0.878 0.030 . 1 . . . . 56 VAL HG1 . 11339 1 643 . 1 1 56 56 VAL HG21 H 1 0.840 0.030 . 1 . . . . 56 VAL HG2 . 11339 1 644 . 1 1 56 56 VAL HG22 H 1 0.840 0.030 . 1 . . . . 56 VAL HG2 . 11339 1 645 . 1 1 56 56 VAL HG23 H 1 0.840 0.030 . 1 . . . . 56 VAL HG2 . 11339 1 646 . 1 1 56 56 VAL C C 13 174.250 0.300 . 1 . . . . 56 VAL C . 11339 1 647 . 1 1 56 56 VAL CA C 13 60.556 0.300 . 1 . . . . 56 VAL CA . 11339 1 648 . 1 1 56 56 VAL CB C 13 33.636 0.300 . 1 . . . . 56 VAL CB . 11339 1 649 . 1 1 56 56 VAL CG1 C 13 22.631 0.300 . 2 . . . . 56 VAL CG1 . 11339 1 650 . 1 1 56 56 VAL CG2 C 13 19.404 0.300 . 2 . . . . 56 VAL CG2 . 11339 1 651 . 1 1 56 56 VAL N N 15 111.729 0.300 . 1 . . . . 56 VAL N . 11339 1 652 . 1 1 57 57 ASP H H 1 8.525 0.030 . 1 . . . . 57 ASP H . 11339 1 653 . 1 1 57 57 ASP HA H 1 4.745 0.030 . 1 . . . . 57 ASP HA . 11339 1 654 . 1 1 57 57 ASP HB2 H 1 2.652 0.030 . 2 . . . . 57 ASP HB2 . 11339 1 655 . 1 1 57 57 ASP HB3 H 1 2.599 0.030 . 2 . . . . 57 ASP HB3 . 11339 1 656 . 1 1 57 57 ASP C C 13 175.874 0.300 . 1 . . . . 57 ASP C . 11339 1 657 . 1 1 57 57 ASP CA C 13 53.525 0.300 . 1 . . . . 57 ASP CA . 11339 1 658 . 1 1 57 57 ASP CB C 13 42.173 0.300 . 1 . . . . 57 ASP CB . 11339 1 659 . 1 1 57 57 ASP N N 15 119.751 0.300 . 1 . . . . 57 ASP N . 11339 1 660 . 1 1 58 58 LYS H H 1 7.418 0.030 . 1 . . . . 58 LYS H . 11339 1 661 . 1 1 58 58 LYS HA H 1 4.546 0.030 . 1 . . . . 58 LYS HA . 11339 1 662 . 1 1 58 58 LYS HB2 H 1 1.408 0.030 . 2 . . . . 58 LYS HB2 . 11339 1 663 . 1 1 58 58 LYS HB3 H 1 1.319 0.030 . 2 . . . . 58 LYS HB3 . 11339 1 664 . 1 1 58 58 LYS HD2 H 1 1.570 0.030 . 2 . . . . 58 LYS HD2 . 11339 1 665 . 1 1 58 58 LYS HD3 H 1 1.628 0.030 . 2 . . . . 58 LYS HD3 . 11339 1 666 . 1 1 58 58 LYS HE2 H 1 2.890 0.030 . 1 . . . . 58 LYS HE2 . 11339 1 667 . 1 1 58 58 LYS HE3 H 1 2.890 0.030 . 1 . . . . 58 LYS HE3 . 11339 1 668 . 1 1 58 58 LYS HG2 H 1 1.152 0.030 . 2 . . . . 58 LYS HG2 . 11339 1 669 . 1 1 58 58 LYS HG3 H 1 1.242 0.030 . 2 . . . . 58 LYS HG3 . 11339 1 670 . 1 1 58 58 LYS C C 13 174.430 0.300 . 1 . . . . 58 LYS C . 11339 1 671 . 1 1 58 58 LYS CA C 13 53.955 0.300 . 1 . . . . 58 LYS CA . 11339 1 672 . 1 1 58 58 LYS CB C 13 35.454 0.300 . 1 . . . . 58 LYS CB . 11339 1 673 . 1 1 58 58 LYS CD C 13 29.387 0.300 . 1 . . . . 58 LYS CD . 11339 1 674 . 1 1 58 58 LYS CE C 13 41.906 0.300 . 1 . . . . 58 LYS CE . 11339 1 675 . 1 1 58 58 LYS CG C 13 24.877 0.300 . 1 . . . . 58 LYS CG . 11339 1 676 . 1 1 58 58 LYS N N 15 119.843 0.300 . 1 . . . . 58 LYS N . 11339 1 677 . 1 1 59 59 CYS H H 1 8.330 0.030 . 1 . . . . 59 CYS H . 11339 1 678 . 1 1 59 59 CYS HA H 1 3.997 0.030 . 1 . . . . 59 CYS HA . 11339 1 679 . 1 1 59 59 CYS HB2 H 1 2.862 0.030 . 2 . . . . 59 CYS HB2 . 11339 1 680 . 1 1 59 59 CYS HB3 H 1 3.130 0.030 . 2 . . . . 59 CYS HB3 . 11339 1 681 . 1 1 59 59 CYS C C 13 175.734 0.300 . 1 . . . . 59 CYS C . 11339 1 682 . 1 1 59 59 CYS CA C 13 57.110 0.300 . 1 . . . . 59 CYS CA . 11339 1 683 . 1 1 59 59 CYS CB C 13 31.736 0.300 . 1 . . . . 59 CYS CB . 11339 1 684 . 1 1 59 59 CYS N N 15 125.675 0.300 . 1 . . . . 59 CYS N . 11339 1 685 . 1 1 60 60 PRO HA H 1 4.340 0.030 . 1 . . . . 60 PRO HA . 11339 1 686 . 1 1 60 60 PRO HB2 H 1 1.909 0.030 . 2 . . . . 60 PRO HB2 . 11339 1 687 . 1 1 60 60 PRO HB3 H 1 2.407 0.030 . 2 . . . . 60 PRO HB3 . 11339 1 688 . 1 1 60 60 PRO HD2 H 1 3.937 0.030 . 2 . . . . 60 PRO HD2 . 11339 1 689 . 1 1 60 60 PRO HD3 H 1 4.105 0.030 . 2 . . . . 60 PRO HD3 . 11339 1 690 . 1 1 60 60 PRO HG2 H 1 1.999 0.030 . 2 . . . . 60 PRO HG2 . 11339 1 691 . 1 1 60 60 PRO HG3 H 1 1.834 0.030 . 2 . . . . 60 PRO HG3 . 11339 1 692 . 1 1 60 60 PRO C C 13 175.608 0.300 . 1 . . . . 60 PRO C . 11339 1 693 . 1 1 60 60 PRO CA C 13 63.798 0.300 . 1 . . . . 60 PRO CA . 11339 1 694 . 1 1 60 60 PRO CB C 13 31.998 0.300 . 1 . . . . 60 PRO CB . 11339 1 695 . 1 1 60 60 PRO CD C 13 51.210 0.300 . 1 . . . . 60 PRO CD . 11339 1 696 . 1 1 60 60 PRO CG C 13 27.174 0.300 . 1 . . . . 60 PRO CG . 11339 1 697 . 1 1 61 61 MET H H 1 8.961 0.030 . 1 . . . . 61 MET H . 11339 1 698 . 1 1 61 61 MET HA H 1 4.325 0.030 . 1 . . . . 61 MET HA . 11339 1 699 . 1 1 61 61 MET HB2 H 1 0.918 0.030 . 2 . . . . 61 MET HB2 . 11339 1 700 . 1 1 61 61 MET HB3 H 1 1.396 0.030 . 2 . . . . 61 MET HB3 . 11339 1 701 . 1 1 61 61 MET HE1 H 1 1.905 0.030 . 1 . . . . 61 MET HE . 11339 1 702 . 1 1 61 61 MET HE2 H 1 1.905 0.030 . 1 . . . . 61 MET HE . 11339 1 703 . 1 1 61 61 MET HE3 H 1 1.905 0.030 . 1 . . . . 61 MET HE . 11339 1 704 . 1 1 61 61 MET HG2 H 1 2.168 0.030 . 2 . . . . 61 MET HG2 . 11339 1 705 . 1 1 61 61 MET HG3 H 1 2.090 0.030 . 2 . . . . 61 MET HG3 . 11339 1 706 . 1 1 61 61 MET C C 13 176.482 0.300 . 1 . . . . 61 MET C . 11339 1 707 . 1 1 61 61 MET CA C 13 56.004 0.300 . 1 . . . . 61 MET CA . 11339 1 708 . 1 1 61 61 MET CB C 13 31.686 0.300 . 1 . . . . 61 MET CB . 11339 1 709 . 1 1 61 61 MET CE C 13 17.350 0.300 . 1 . . . . 61 MET CE . 11339 1 710 . 1 1 61 61 MET CG C 13 33.531 0.300 . 1 . . . . 61 MET CG . 11339 1 711 . 1 1 61 61 MET N N 15 117.572 0.300 . 1 . . . . 61 MET N . 11339 1 712 . 1 1 62 62 CYS H H 1 7.814 0.030 . 1 . . . . 62 CYS H . 11339 1 713 . 1 1 62 62 CYS HA H 1 4.758 0.030 . 1 . . . . 62 CYS HA . 11339 1 714 . 1 1 62 62 CYS HB2 H 1 3.413 0.030 . 2 . . . . 62 CYS HB2 . 11339 1 715 . 1 1 62 62 CYS HB3 H 1 2.589 0.030 . 2 . . . . 62 CYS HB3 . 11339 1 716 . 1 1 62 62 CYS C C 13 175.204 0.300 . 1 . . . . 62 CYS C . 11339 1 717 . 1 1 62 62 CYS CA C 13 57.597 0.300 . 1 . . . . 62 CYS CA . 11339 1 718 . 1 1 62 62 CYS CB C 13 32.503 0.300 . 1 . . . . 62 CYS CB . 11339 1 719 . 1 1 62 62 CYS N N 15 116.289 0.300 . 1 . . . . 62 CYS N . 11339 1 720 . 1 1 63 63 TYR H H 1 7.994 0.030 . 1 . . . . 63 TYR H . 11339 1 721 . 1 1 63 63 TYR HA H 1 4.253 0.030 . 1 . . . . 63 TYR HA . 11339 1 722 . 1 1 63 63 TYR HB2 H 1 3.267 0.030 . 2 . . . . 63 TYR HB2 . 11339 1 723 . 1 1 63 63 TYR HB3 H 1 3.200 0.030 . 2 . . . . 63 TYR HB3 . 11339 1 724 . 1 1 63 63 TYR HD1 H 1 6.910 0.030 . 1 . . . . 63 TYR HD1 . 11339 1 725 . 1 1 63 63 TYR HD2 H 1 6.910 0.030 . 1 . . . . 63 TYR HD2 . 11339 1 726 . 1 1 63 63 TYR HE1 H 1 6.736 0.030 . 1 . . . . 63 TYR HE1 . 11339 1 727 . 1 1 63 63 TYR HE2 H 1 6.736 0.030 . 1 . . . . 63 TYR HE2 . 11339 1 728 . 1 1 63 63 TYR C C 13 174.167 0.300 . 1 . . . . 63 TYR C . 11339 1 729 . 1 1 63 63 TYR CA C 13 59.533 0.300 . 1 . . . . 63 TYR CA . 11339 1 730 . 1 1 63 63 TYR CB C 13 35.088 0.300 . 1 . . . . 63 TYR CB . 11339 1 731 . 1 1 63 63 TYR CD1 C 13 132.508 0.300 . 1 . . . . 63 TYR CD1 . 11339 1 732 . 1 1 63 63 TYR CD2 C 13 132.508 0.300 . 1 . . . . 63 TYR CD2 . 11339 1 733 . 1 1 63 63 TYR CE1 C 13 118.239 0.300 . 1 . . . . 63 TYR CE1 . 11339 1 734 . 1 1 63 63 TYR CE2 C 13 118.239 0.300 . 1 . . . . 63 TYR CE2 . 11339 1 735 . 1 1 63 63 TYR N N 15 119.569 0.300 . 1 . . . . 63 TYR N . 11339 1 736 . 1 1 64 64 THR H H 1 7.815 0.030 . 1 . . . . 64 THR H . 11339 1 737 . 1 1 64 64 THR HA H 1 4.209 0.030 . 1 . . . . 64 THR HA . 11339 1 738 . 1 1 64 64 THR HB H 1 3.893 0.030 . 1 . . . . 64 THR HB . 11339 1 739 . 1 1 64 64 THR HG21 H 1 1.418 0.030 . 1 . . . . 64 THR HG2 . 11339 1 740 . 1 1 64 64 THR HG22 H 1 1.418 0.030 . 1 . . . . 64 THR HG2 . 11339 1 741 . 1 1 64 64 THR HG23 H 1 1.418 0.030 . 1 . . . . 64 THR HG2 . 11339 1 742 . 1 1 64 64 THR C C 13 174.898 0.300 . 1 . . . . 64 THR C . 11339 1 743 . 1 1 64 64 THR CA C 13 64.002 0.300 . 1 . . . . 64 THR CA . 11339 1 744 . 1 1 64 64 THR CB C 13 68.759 0.300 . 1 . . . . 64 THR CB . 11339 1 745 . 1 1 64 64 THR CG2 C 13 21.296 0.300 . 1 . . . . 64 THR CG2 . 11339 1 746 . 1 1 64 64 THR N N 15 118.084 0.300 . 1 . . . . 64 THR N . 11339 1 747 . 1 1 65 65 VAL H H 1 8.772 0.030 . 1 . . . . 65 VAL H . 11339 1 748 . 1 1 65 65 VAL HA H 1 3.692 0.030 . 1 . . . . 65 VAL HA . 11339 1 749 . 1 1 65 65 VAL HB H 1 1.971 0.030 . 1 . . . . 65 VAL HB . 11339 1 750 . 1 1 65 65 VAL HG11 H 1 0.866 0.030 . 1 . . . . 65 VAL HG1 . 11339 1 751 . 1 1 65 65 VAL HG12 H 1 0.866 0.030 . 1 . . . . 65 VAL HG1 . 11339 1 752 . 1 1 65 65 VAL HG13 H 1 0.866 0.030 . 1 . . . . 65 VAL HG1 . 11339 1 753 . 1 1 65 65 VAL HG21 H 1 1.065 0.030 . 1 . . . . 65 VAL HG2 . 11339 1 754 . 1 1 65 65 VAL HG22 H 1 1.065 0.030 . 1 . . . . 65 VAL HG2 . 11339 1 755 . 1 1 65 65 VAL HG23 H 1 1.065 0.030 . 1 . . . . 65 VAL HG2 . 11339 1 756 . 1 1 65 65 VAL C C 13 175.455 0.300 . 1 . . . . 65 VAL C . 11339 1 757 . 1 1 65 65 VAL CA C 13 65.124 0.300 . 1 . . . . 65 VAL CA . 11339 1 758 . 1 1 65 65 VAL CB C 13 31.884 0.300 . 1 . . . . 65 VAL CB . 11339 1 759 . 1 1 65 65 VAL CG1 C 13 21.010 0.300 . 2 . . . . 65 VAL CG1 . 11339 1 760 . 1 1 65 65 VAL CG2 C 13 22.522 0.300 . 2 . . . . 65 VAL CG2 . 11339 1 761 . 1 1 65 65 VAL N N 15 129.021 0.300 . 1 . . . . 65 VAL N . 11339 1 762 . 1 1 66 66 ILE H H 1 7.625 0.030 . 1 . . . . 66 ILE H . 11339 1 763 . 1 1 66 66 ILE HA H 1 4.147 0.030 . 1 . . . . 66 ILE HA . 11339 1 764 . 1 1 66 66 ILE HB H 1 1.222 0.030 . 1 . . . . 66 ILE HB . 11339 1 765 . 1 1 66 66 ILE HD11 H 1 -0.536 0.030 . 1 . . . . 66 ILE HD1 . 11339 1 766 . 1 1 66 66 ILE HD12 H 1 -0.536 0.030 . 1 . . . . 66 ILE HD1 . 11339 1 767 . 1 1 66 66 ILE HD13 H 1 -0.536 0.030 . 1 . . . . 66 ILE HD1 . 11339 1 768 . 1 1 66 66 ILE HG12 H 1 1.287 0.030 . 2 . . . . 66 ILE HG12 . 11339 1 769 . 1 1 66 66 ILE HG13 H 1 0.258 0.030 . 2 . . . . 66 ILE HG13 . 11339 1 770 . 1 1 66 66 ILE HG21 H 1 0.739 0.030 . 1 . . . . 66 ILE HG2 . 11339 1 771 . 1 1 66 66 ILE HG22 H 1 0.739 0.030 . 1 . . . . 66 ILE HG2 . 11339 1 772 . 1 1 66 66 ILE HG23 H 1 0.739 0.030 . 1 . . . . 66 ILE HG2 . 11339 1 773 . 1 1 66 66 ILE C C 13 177.071 0.300 . 1 . . . . 66 ILE C . 11339 1 774 . 1 1 66 66 ILE CA C 13 61.000 0.300 . 1 . . . . 66 ILE CA . 11339 1 775 . 1 1 66 66 ILE CB C 13 39.813 0.300 . 1 . . . . 66 ILE CB . 11339 1 776 . 1 1 66 66 ILE CD1 C 13 13.757 0.300 . 1 . . . . 66 ILE CD1 . 11339 1 777 . 1 1 66 66 ILE CG1 C 13 27.344 0.300 . 1 . . . . 66 ILE CG1 . 11339 1 778 . 1 1 66 66 ILE CG2 C 13 19.133 0.300 . 1 . . . . 66 ILE CG2 . 11339 1 779 . 1 1 66 66 ILE N N 15 128.838 0.300 . 1 . . . . 66 ILE N . 11339 1 780 . 1 1 67 67 THR H H 1 9.721 0.030 . 1 . . . . 67 THR H . 11339 1 781 . 1 1 67 67 THR HA H 1 4.363 0.030 . 1 . . . . 67 THR HA . 11339 1 782 . 1 1 67 67 THR HB H 1 4.153 0.030 . 1 . . . . 67 THR HB . 11339 1 783 . 1 1 67 67 THR HG21 H 1 1.121 0.030 . 1 . . . . 67 THR HG2 . 11339 1 784 . 1 1 67 67 THR HG22 H 1 1.121 0.030 . 1 . . . . 67 THR HG2 . 11339 1 785 . 1 1 67 67 THR HG23 H 1 1.121 0.030 . 1 . . . . 67 THR HG2 . 11339 1 786 . 1 1 67 67 THR C C 13 175.126 0.300 . 1 . . . . 67 THR C . 11339 1 787 . 1 1 67 67 THR CA C 13 63.432 0.300 . 1 . . . . 67 THR CA . 11339 1 788 . 1 1 67 67 THR CB C 13 68.740 0.300 . 1 . . . . 67 THR CB . 11339 1 789 . 1 1 67 67 THR CG2 C 13 22.182 0.300 . 1 . . . . 67 THR CG2 . 11339 1 790 . 1 1 67 67 THR N N 15 123.051 0.300 . 1 . . . . 67 THR N . 11339 1 791 . 1 1 68 68 PHE H H 1 7.920 0.030 . 1 . . . . 68 PHE H . 11339 1 792 . 1 1 68 68 PHE HA H 1 4.676 0.030 . 1 . . . . 68 PHE HA . 11339 1 793 . 1 1 68 68 PHE HB2 H 1 2.713 0.030 . 2 . . . . 68 PHE HB2 . 11339 1 794 . 1 1 68 68 PHE HB3 H 1 3.182 0.030 . 2 . . . . 68 PHE HB3 . 11339 1 795 . 1 1 68 68 PHE HD1 H 1 7.157 0.030 . 1 . . . . 68 PHE HD1 . 11339 1 796 . 1 1 68 68 PHE HD2 H 1 7.157 0.030 . 1 . . . . 68 PHE HD2 . 11339 1 797 . 1 1 68 68 PHE HE1 H 1 7.487 0.030 . 1 . . . . 68 PHE HE1 . 11339 1 798 . 1 1 68 68 PHE HE2 H 1 7.487 0.030 . 1 . . . . 68 PHE HE2 . 11339 1 799 . 1 1 68 68 PHE HZ H 1 7.373 0.030 . 1 . . . . 68 PHE HZ . 11339 1 800 . 1 1 68 68 PHE C C 13 172.063 0.300 . 1 . . . . 68 PHE C . 11339 1 801 . 1 1 68 68 PHE CA C 13 58.512 0.300 . 1 . . . . 68 PHE CA . 11339 1 802 . 1 1 68 68 PHE CB C 13 41.971 0.300 . 1 . . . . 68 PHE CB . 11339 1 803 . 1 1 68 68 PHE CD1 C 13 131.794 0.300 . 1 . . . . 68 PHE CD1 . 11339 1 804 . 1 1 68 68 PHE CD2 C 13 131.794 0.300 . 1 . . . . 68 PHE CD2 . 11339 1 805 . 1 1 68 68 PHE CE1 C 13 131.722 0.300 . 1 . . . . 68 PHE CE1 . 11339 1 806 . 1 1 68 68 PHE CE2 C 13 131.722 0.300 . 1 . . . . 68 PHE CE2 . 11339 1 807 . 1 1 68 68 PHE CZ C 13 130.114 0.300 . 1 . . . . 68 PHE CZ . 11339 1 808 . 1 1 68 68 PHE N N 15 120.511 0.300 . 1 . . . . 68 PHE N . 11339 1 809 . 1 1 69 69 LYS H H 1 7.763 0.030 . 1 . . . . 69 LYS H . 11339 1 810 . 1 1 69 69 LYS HA H 1 4.575 0.030 . 1 . . . . 69 LYS HA . 11339 1 811 . 1 1 69 69 LYS HB2 H 1 1.645 0.030 . 2 . . . . 69 LYS HB2 . 11339 1 812 . 1 1 69 69 LYS HB3 H 1 1.562 0.030 . 2 . . . . 69 LYS HB3 . 11339 1 813 . 1 1 69 69 LYS HD2 H 1 1.631 0.030 . 1 . . . . 69 LYS HD2 . 11339 1 814 . 1 1 69 69 LYS HD3 H 1 1.631 0.030 . 1 . . . . 69 LYS HD3 . 11339 1 815 . 1 1 69 69 LYS HE2 H 1 2.932 0.030 . 2 . . . . 69 LYS HE2 . 11339 1 816 . 1 1 69 69 LYS HE3 H 1 2.818 0.030 . 2 . . . . 69 LYS HE3 . 11339 1 817 . 1 1 69 69 LYS HG2 H 1 1.347 0.030 . 2 . . . . 69 LYS HG2 . 11339 1 818 . 1 1 69 69 LYS HG3 H 1 1.270 0.030 . 2 . . . . 69 LYS HG3 . 11339 1 819 . 1 1 69 69 LYS C C 13 173.486 0.300 . 1 . . . . 69 LYS C . 11339 1 820 . 1 1 69 69 LYS CA C 13 55.140 0.300 . 1 . . . . 69 LYS CA . 11339 1 821 . 1 1 69 69 LYS CB C 13 33.112 0.300 . 1 . . . . 69 LYS CB . 11339 1 822 . 1 1 69 69 LYS CD C 13 30.331 0.300 . 1 . . . . 69 LYS CD . 11339 1 823 . 1 1 69 69 LYS CE C 13 42.896 0.300 . 1 . . . . 69 LYS CE . 11339 1 824 . 1 1 69 69 LYS CG C 13 26.998 0.300 . 1 . . . . 69 LYS CG . 11339 1 825 . 1 1 69 69 LYS N N 15 125.337 0.300 . 1 . . . . 69 LYS N . 11339 1 826 . 1 1 70 70 GLN H H 1 8.385 0.030 . 1 . . . . 70 GLN H . 11339 1 827 . 1 1 70 70 GLN HA H 1 4.475 0.030 . 1 . . . . 70 GLN HA . 11339 1 828 . 1 1 70 70 GLN HB2 H 1 2.185 0.030 . 2 . . . . 70 GLN HB2 . 11339 1 829 . 1 1 70 70 GLN HB3 H 1 1.981 0.030 . 2 . . . . 70 GLN HB3 . 11339 1 830 . 1 1 70 70 GLN HE21 H 1 8.510 0.030 . 2 . . . . 70 GLN HE21 . 11339 1 831 . 1 1 70 70 GLN HE22 H 1 6.416 0.030 . 2 . . . . 70 GLN HE22 . 11339 1 832 . 1 1 70 70 GLN HG2 H 1 1.905 0.030 . 2 . . . . 70 GLN HG2 . 11339 1 833 . 1 1 70 70 GLN HG3 H 1 2.027 0.030 . 2 . . . . 70 GLN HG3 . 11339 1 834 . 1 1 70 70 GLN C C 13 174.253 0.300 . 1 . . . . 70 GLN C . 11339 1 835 . 1 1 70 70 GLN CA C 13 53.504 0.300 . 1 . . . . 70 GLN CA . 11339 1 836 . 1 1 70 70 GLN CB C 13 30.347 0.300 . 1 . . . . 70 GLN CB . 11339 1 837 . 1 1 70 70 GLN CG C 13 33.415 0.300 . 1 . . . . 70 GLN CG . 11339 1 838 . 1 1 70 70 GLN N N 15 124.637 0.300 . 1 . . . . 70 GLN N . 11339 1 839 . 1 1 70 70 GLN NE2 N 15 114.277 0.300 . 1 . . . . 70 GLN NE2 . 11339 1 840 . 1 1 71 71 LYS H H 1 8.847 0.030 . 1 . . . . 71 LYS H . 11339 1 841 . 1 1 71 71 LYS HA H 1 4.607 0.030 . 1 . . . . 71 LYS HA . 11339 1 842 . 1 1 71 71 LYS HB2 H 1 1.692 0.030 . 1 . . . . 71 LYS HB2 . 11339 1 843 . 1 1 71 71 LYS HB3 H 1 1.692 0.030 . 1 . . . . 71 LYS HB3 . 11339 1 844 . 1 1 71 71 LYS HD2 H 1 1.716 0.030 . 2 . . . . 71 LYS HD2 . 11339 1 845 . 1 1 71 71 LYS HD3 H 1 1.671 0.030 . 2 . . . . 71 LYS HD3 . 11339 1 846 . 1 1 71 71 LYS HE2 H 1 2.939 0.030 . 1 . . . . 71 LYS HE2 . 11339 1 847 . 1 1 71 71 LYS HE3 H 1 2.939 0.030 . 1 . . . . 71 LYS HE3 . 11339 1 848 . 1 1 71 71 LYS HG2 H 1 1.380 0.030 . 2 . . . . 71 LYS HG2 . 11339 1 849 . 1 1 71 71 LYS HG3 H 1 1.273 0.030 . 2 . . . . 71 LYS HG3 . 11339 1 850 . 1 1 71 71 LYS C C 13 176.450 0.300 . 1 . . . . 71 LYS C . 11339 1 851 . 1 1 71 71 LYS CA C 13 56.974 0.300 . 1 . . . . 71 LYS CA . 11339 1 852 . 1 1 71 71 LYS CB C 13 32.688 0.300 . 1 . . . . 71 LYS CB . 11339 1 853 . 1 1 71 71 LYS CD C 13 29.465 0.300 . 1 . . . . 71 LYS CD . 11339 1 854 . 1 1 71 71 LYS CE C 13 41.985 0.300 . 1 . . . . 71 LYS CE . 11339 1 855 . 1 1 71 71 LYS CG C 13 24.904 0.300 . 1 . . . . 71 LYS CG . 11339 1 856 . 1 1 71 71 LYS N N 15 131.131 0.300 . 1 . . . . 71 LYS N . 11339 1 857 . 1 1 72 72 ILE H H 1 7.590 0.030 . 1 . . . . 72 ILE H . 11339 1 858 . 1 1 72 72 ILE HA H 1 5.103 0.030 . 1 . . . . 72 ILE HA . 11339 1 859 . 1 1 72 72 ILE HB H 1 1.689 0.030 . 1 . . . . 72 ILE HB . 11339 1 860 . 1 1 72 72 ILE HD11 H 1 0.625 0.030 . 1 . . . . 72 ILE HD1 . 11339 1 861 . 1 1 72 72 ILE HD12 H 1 0.625 0.030 . 1 . . . . 72 ILE HD1 . 11339 1 862 . 1 1 72 72 ILE HD13 H 1 0.625 0.030 . 1 . . . . 72 ILE HD1 . 11339 1 863 . 1 1 72 72 ILE HG12 H 1 1.193 0.030 . 2 . . . . 72 ILE HG12 . 11339 1 864 . 1 1 72 72 ILE HG13 H 1 0.743 0.030 . 2 . . . . 72 ILE HG13 . 11339 1 865 . 1 1 72 72 ILE HG21 H 1 0.776 0.030 . 1 . . . . 72 ILE HG2 . 11339 1 866 . 1 1 72 72 ILE HG22 H 1 0.776 0.030 . 1 . . . . 72 ILE HG2 . 11339 1 867 . 1 1 72 72 ILE HG23 H 1 0.776 0.030 . 1 . . . . 72 ILE HG2 . 11339 1 868 . 1 1 72 72 ILE C C 13 175.483 0.300 . 1 . . . . 72 ILE C . 11339 1 869 . 1 1 72 72 ILE CA C 13 58.971 0.300 . 1 . . . . 72 ILE CA . 11339 1 870 . 1 1 72 72 ILE CB C 13 40.380 0.300 . 1 . . . . 72 ILE CB . 11339 1 871 . 1 1 72 72 ILE CD1 C 13 14.697 0.300 . 1 . . . . 72 ILE CD1 . 11339 1 872 . 1 1 72 72 ILE CG1 C 13 26.064 0.300 . 1 . . . . 72 ILE CG1 . 11339 1 873 . 1 1 72 72 ILE CG2 C 13 20.213 0.300 . 1 . . . . 72 ILE CG2 . 11339 1 874 . 1 1 72 72 ILE N N 15 117.519 0.300 . 1 . . . . 72 ILE N . 11339 1 875 . 1 1 73 73 PHE H H 1 8.065 0.030 . 1 . . . . 73 PHE H . 11339 1 876 . 1 1 73 73 PHE HA H 1 4.543 0.030 . 1 . . . . 73 PHE HA . 11339 1 877 . 1 1 73 73 PHE HB2 H 1 3.051 0.030 . 2 . . . . 73 PHE HB2 . 11339 1 878 . 1 1 73 73 PHE HB3 H 1 2.287 0.030 . 2 . . . . 73 PHE HB3 . 11339 1 879 . 1 1 73 73 PHE HD1 H 1 7.139 0.030 . 1 . . . . 73 PHE HD1 . 11339 1 880 . 1 1 73 73 PHE HD2 H 1 7.139 0.030 . 1 . . . . 73 PHE HD2 . 11339 1 881 . 1 1 73 73 PHE HE1 H 1 7.285 0.030 . 1 . . . . 73 PHE HE1 . 11339 1 882 . 1 1 73 73 PHE HE2 H 1 7.285 0.030 . 1 . . . . 73 PHE HE2 . 11339 1 883 . 1 1 73 73 PHE HZ H 1 7.231 0.030 . 1 . . . . 73 PHE HZ . 11339 1 884 . 1 1 73 73 PHE C C 13 175.303 0.300 . 1 . . . . 73 PHE C . 11339 1 885 . 1 1 73 73 PHE CA C 13 57.715 0.300 . 1 . . . . 73 PHE CA . 11339 1 886 . 1 1 73 73 PHE CB C 13 41.520 0.300 . 1 . . . . 73 PHE CB . 11339 1 887 . 1 1 73 73 PHE CD1 C 13 132.372 0.300 . 1 . . . . 73 PHE CD1 . 11339 1 888 . 1 1 73 73 PHE CD2 C 13 132.372 0.300 . 1 . . . . 73 PHE CD2 . 11339 1 889 . 1 1 73 73 PHE CE1 C 13 131.216 0.300 . 1 . . . . 73 PHE CE1 . 11339 1 890 . 1 1 73 73 PHE CE2 C 13 131.216 0.300 . 1 . . . . 73 PHE CE2 . 11339 1 891 . 1 1 73 73 PHE CZ C 13 129.346 0.300 . 1 . . . . 73 PHE CZ . 11339 1 892 . 1 1 73 73 PHE N N 15 121.594 0.300 . 1 . . . . 73 PHE N . 11339 1 893 . 1 1 74 74 MET H H 1 8.776 0.030 . 1 . . . . 74 MET H . 11339 1 894 . 1 1 74 74 MET HA H 1 4.675 0.030 . 1 . . . . 74 MET HA . 11339 1 895 . 1 1 74 74 MET HB2 H 1 1.952 0.030 . 2 . . . . 74 MET HB2 . 11339 1 896 . 1 1 74 74 MET HB3 H 1 2.285 0.030 . 2 . . . . 74 MET HB3 . 11339 1 897 . 1 1 74 74 MET HE1 H 1 2.033 0.030 . 1 . . . . 74 MET HE . 11339 1 898 . 1 1 74 74 MET HE2 H 1 2.033 0.030 . 1 . . . . 74 MET HE . 11339 1 899 . 1 1 74 74 MET HE3 H 1 2.033 0.030 . 1 . . . . 74 MET HE . 11339 1 900 . 1 1 74 74 MET HG2 H 1 2.572 0.030 . 1 . . . . 74 MET HG2 . 11339 1 901 . 1 1 74 74 MET HG3 H 1 2.572 0.030 . 1 . . . . 74 MET HG3 . 11339 1 902 . 1 1 74 74 MET C C 13 174.995 0.300 . 1 . . . . 74 MET C . 11339 1 903 . 1 1 74 74 MET CA C 13 55.306 0.300 . 1 . . . . 74 MET CA . 11339 1 904 . 1 1 74 74 MET CB C 13 33.245 0.300 . 1 . . . . 74 MET CB . 11339 1 905 . 1 1 74 74 MET CE C 13 16.967 0.300 . 1 . . . . 74 MET CE . 11339 1 906 . 1 1 74 74 MET CG C 13 32.706 0.300 . 1 . . . . 74 MET CG . 11339 1 907 . 1 1 74 74 MET N N 15 123.638 0.300 . 1 . . . . 74 MET N . 11339 1 908 . 1 1 75 75 SER H H 1 8.075 0.030 . 1 . . . . 75 SER H . 11339 1 909 . 1 1 75 75 SER HA H 1 4.232 0.030 . 1 . . . . 75 SER HA . 11339 1 910 . 1 1 75 75 SER HB2 H 1 3.860 0.030 . 1 . . . . 75 SER HB2 . 11339 1 911 . 1 1 75 75 SER HB3 H 1 3.860 0.030 . 1 . . . . 75 SER HB3 . 11339 1 912 . 1 1 75 75 SER C C 13 178.252 0.300 . 1 . . . . 75 SER C . 11339 1 913 . 1 1 75 75 SER CA C 13 59.891 0.300 . 1 . . . . 75 SER CA . 11339 1 914 . 1 1 75 75 SER CB C 13 64.882 0.300 . 1 . . . . 75 SER CB . 11339 1 915 . 1 1 75 75 SER N N 15 120.770 0.300 . 1 . . . . 75 SER N . 11339 1 stop_ save_