data_15007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15007 _Entry.Title ; Structural Studies on Plasmodium vivax Merozoite Surface Protein-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-30 _Entry.Accession_date 2006-10-30 _Entry.Last_release_date 2008-02-04 _Entry.Original_release_date 2008-02-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Jeffrey Babon . J. . 15007 2 William Morgan . D. . 15007 3 Kelly Geoff . . . 15007 4 Eccleston John . F. . 15007 5 Feeney James . . . 15007 6 Holder Anthony . A. . 15007 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institute for Medical Research' . 15007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 15007 '15N chemical shifts' 87 15007 '1H chemical shifts' 487 15007 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 . . 2008-02-04 2006-10-30 original author . 15007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NPR 'BMRB Entry Tracking System' 15007 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15007 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17343930 _Citation.Full_citation . _Citation.Title 'Structural studies on Plasmodium vivax merozoite surface protein-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Biochem. Parasitol.' _Citation.Journal_name_full . _Citation.Journal_volume 153 _Citation.Journal_issue 1 _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 31 _Citation.Page_last 40 _Citation.Year 2007 _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 Jeffrey Babon . J. . 15007 1 2 William Morgan . D. . 15007 1 3 Geoff Kelly . . . 15007 1 4 John Eccleston . F. . 15007 1 5 James Feeney . . . 15007 1 6 Anthony Holder . A. . 15007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15007 _Assembly.ID 1 _Assembly.Name 'msp-1 c-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 9813 _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 msp-1 1 $msp-1 A . yes native no no . . . 15007 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 disulphide 1 . 1 msp-1 1 CYS 8 8 SG . 1 msp-1 1 CYS 19 19 SG . msp-1 8 cys SG . msp-1 19 cys SG 15007 1 2 disulphide 1 . 1 msp-1 1 CYS 31 31 SG . 1 msp-1 1 CYS 42 42 SG . msp-1 31 cys SG . msp-1 42 cys SG 15007 1 3 disulphide 1 . 1 msp-1 1 CYS 50 50 SG . 1 msp-1 1 CYS 63 63 SG . msp-1 50 cys SG . msp-1 63 cys SG 15007 1 4 disulphide 1 . 1 msp-1 1 CYS 57 57 SG . 1 msp-1 1 CYS 73 73 SG . msp-1 57 cys SG . msp-1 73 cys SG 15007 1 5 disulphide 1 . 1 msp-1 1 CYS 75 75 SG . 1 msp-1 1 CYS 89 89 SG . msp-1 75 cys SG . msp-1 89 cys SG 15007 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 75 75 HG . 75 CYS HG 15007 1 . . 1 1 CYS 89 89 HG . 89 CYS HG 15007 1 . . 1 1 CYS 57 57 HG . 57 CYS HG 15007 1 . . 1 1 CYS 73 73 HG . 73 CYS HG 15007 1 . . 1 1 CYS 50 50 HG . 50 CYS HG 15007 1 . . 1 1 CYS 63 63 HG . 63 CYS HG 15007 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 15007 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 15007 1 . . 1 1 CYS 8 8 HG . 8 CYS HG 15007 1 . . 1 1 CYS 19 19 HG . 19 CYS HG 15007 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 2NPR . . 'solution NMR' . . . 15007 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'malarial invasion' 15007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_msp-1 _Entity.Sf_category entity _Entity.Sf_framecode msp-1 _Entity.Entry_ID 15007 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name msp-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TMSSEHTCIDTNVPDNAACY RYLDGTEEWRCLLTFKEEGG KCVPASNVTCKDNNGGCAPE AECKMTDSNKIVCKCTKEGS EPLFEGVFCS ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'c-terminal domain (MSP-1(19))' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'residues 284-373 of EMBL AJ292356.1' _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 2NPR . "Structural Studies On Plasmodium Vivax Merozoite Surface Protein-1" . . . . . 100.00 90 100.00 100.00 4.79e-58 . . . . 15007 1 2 no DBJ BAJ41307 . "merozoite surface protein-1 [Plasmodium vivax]" . . . . . 100.00 1731 100.00 100.00 1.42e-57 . . . . 15007 1 3 no DBJ BAJ41308 . "merozoite surface protein-1 [Plasmodium vivax]" . . . . . 100.00 1731 100.00 100.00 1.42e-57 . . . . 15007 1 4 no DBJ BAJ41309 . "merozoite surface protein-1 [Plasmodium vivax]" . . . . . 100.00 1731 100.00 100.00 1.42e-57 . . . . 15007 1 5 no DBJ BAJ41310 . "merozoite surface protein-1 [Plasmodium vivax]" . . . . . 100.00 1719 100.00 100.00 9.64e-58 . . . . 15007 1 6 no DBJ BAJ41311 . "merozoite surface protein-1 [Plasmodium vivax]" . . . . . 100.00 1731 100.00 100.00 1.42e-57 . . . . 15007 1 7 no EMBL CAC82066 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 381 100.00 100.00 4.33e-59 . . . . 15007 1 8 no EMBL CAC82067 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 381 100.00 100.00 4.33e-59 . . . . 15007 1 9 no EMBL CAC82068 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 381 100.00 100.00 4.33e-59 . . . . 15007 1 10 no EMBL CAC82069 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 381 100.00 100.00 4.57e-59 . . . . 15007 1 11 no EMBL CAC82070 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 381 100.00 100.00 4.77e-59 . . . . 15007 1 12 no GB AAA29735 . "Pv200 [Plasmodium vivax]" . . . . . 100.00 1751 100.00 100.00 2.04e-57 . . . . 15007 1 13 no GB AAA63427 . "merozoite surface antigen 1 [Plasmodium vivax]" . . . . . 100.00 1726 97.78 97.78 9.00e-56 . . . . 15007 1 14 no GB AAC37236 . "merozoite surface protein-1, partial [Plasmodium vivax]" . . . . . 100.00 101 100.00 100.00 1.04e-58 . . . . 15007 1 15 no GB AAC37237 . "merozoite surface protein-1, partial [Plasmodium vivax]" . . . . . 100.00 101 98.89 100.00 4.64e-58 . . . . 15007 1 16 no GB AAF91156 . "merozoite surface protein 1, partial [Plasmodium vivax]" . . . . . 100.00 597 100.00 100.00 2.41e-57 . . . . 15007 1 17 no REF XP_001614842 . "major blood-stage surface antigen Pv200 [Plasmodium vivax Sal-1]" . . . . . 100.00 1751 100.00 100.00 2.04e-57 . . . . 15007 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'malarial invasion' 15007 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 . THR . 15007 1 2 . MET . 15007 1 3 . SER . 15007 1 4 . SER . 15007 1 5 . GLU . 15007 1 6 . HIS . 15007 1 7 . THR . 15007 1 8 . CYS . 15007 1 9 . ILE . 15007 1 10 . ASP . 15007 1 11 . THR . 15007 1 12 . ASN . 15007 1 13 . VAL . 15007 1 14 . PRO . 15007 1 15 . ASP . 15007 1 16 . ASN . 15007 1 17 . ALA . 15007 1 18 . ALA . 15007 1 19 . CYS . 15007 1 20 . TYR . 15007 1 21 . ARG . 15007 1 22 . TYR . 15007 1 23 . LEU . 15007 1 24 . ASP . 15007 1 25 . GLY . 15007 1 26 . THR . 15007 1 27 . GLU . 15007 1 28 . GLU . 15007 1 29 . TRP . 15007 1 30 . ARG . 15007 1 31 . CYS . 15007 1 32 . LEU . 15007 1 33 . LEU . 15007 1 34 . THR . 15007 1 35 . PHE . 15007 1 36 . LYS . 15007 1 37 . GLU . 15007 1 38 . GLU . 15007 1 39 . GLY . 15007 1 40 . GLY . 15007 1 41 . LYS . 15007 1 42 . CYS . 15007 1 43 . VAL . 15007 1 44 . PRO . 15007 1 45 . ALA . 15007 1 46 . SER . 15007 1 47 . ASN . 15007 1 48 . VAL . 15007 1 49 . THR . 15007 1 50 . CYS . 15007 1 51 . LYS . 15007 1 52 . ASP . 15007 1 53 . ASN . 15007 1 54 . ASN . 15007 1 55 . GLY . 15007 1 56 . GLY . 15007 1 57 . CYS . 15007 1 58 . ALA . 15007 1 59 . PRO . 15007 1 60 . GLU . 15007 1 61 . ALA . 15007 1 62 . GLU . 15007 1 63 . CYS . 15007 1 64 . LYS . 15007 1 65 . MET . 15007 1 66 . THR . 15007 1 67 . ASP . 15007 1 68 . SER . 15007 1 69 . ASN . 15007 1 70 . LYS . 15007 1 71 . ILE . 15007 1 72 . VAL . 15007 1 73 . CYS . 15007 1 74 . LYS . 15007 1 75 . CYS . 15007 1 76 . THR . 15007 1 77 . LYS . 15007 1 78 . GLU . 15007 1 79 . GLY . 15007 1 80 . SER . 15007 1 81 . GLU . 15007 1 82 . PRO . 15007 1 83 . LEU . 15007 1 84 . PHE . 15007 1 85 . GLU . 15007 1 86 . GLY . 15007 1 87 . VAL . 15007 1 88 . PHE . 15007 1 89 . CYS . 15007 1 90 . SER . 15007 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 . THR 1 1 15007 1 . MET 2 2 15007 1 . SER 3 3 15007 1 . SER 4 4 15007 1 . GLU 5 5 15007 1 . HIS 6 6 15007 1 . THR 7 7 15007 1 . CYS 8 8 15007 1 . ILE 9 9 15007 1 . ASP 10 10 15007 1 . THR 11 11 15007 1 . ASN 12 12 15007 1 . VAL 13 13 15007 1 . PRO 14 14 15007 1 . ASP 15 15 15007 1 . ASN 16 16 15007 1 . ALA 17 17 15007 1 . ALA 18 18 15007 1 . CYS 19 19 15007 1 . TYR 20 20 15007 1 . ARG 21 21 15007 1 . TYR 22 22 15007 1 . LEU 23 23 15007 1 . ASP 24 24 15007 1 . GLY 25 25 15007 1 . THR 26 26 15007 1 . GLU 27 27 15007 1 . GLU 28 28 15007 1 . TRP 29 29 15007 1 . ARG 30 30 15007 1 . CYS 31 31 15007 1 . LEU 32 32 15007 1 . LEU 33 33 15007 1 . THR 34 34 15007 1 . PHE 35 35 15007 1 . LYS 36 36 15007 1 . GLU 37 37 15007 1 . GLU 38 38 15007 1 . GLY 39 39 15007 1 . GLY 40 40 15007 1 . LYS 41 41 15007 1 . CYS 42 42 15007 1 . VAL 43 43 15007 1 . PRO 44 44 15007 1 . ALA 45 45 15007 1 . SER 46 46 15007 1 . ASN 47 47 15007 1 . VAL 48 48 15007 1 . THR 49 49 15007 1 . CYS 50 50 15007 1 . LYS 51 51 15007 1 . ASP 52 52 15007 1 . ASN 53 53 15007 1 . ASN 54 54 15007 1 . GLY 55 55 15007 1 . GLY 56 56 15007 1 . CYS 57 57 15007 1 . ALA 58 58 15007 1 . PRO 59 59 15007 1 . GLU 60 60 15007 1 . ALA 61 61 15007 1 . GLU 62 62 15007 1 . CYS 63 63 15007 1 . LYS 64 64 15007 1 . MET 65 65 15007 1 . THR 66 66 15007 1 . ASP 67 67 15007 1 . SER 68 68 15007 1 . ASN 69 69 15007 1 . LYS 70 70 15007 1 . ILE 71 71 15007 1 . VAL 72 72 15007 1 . CYS 73 73 15007 1 . LYS 74 74 15007 1 . CYS 75 75 15007 1 . THR 76 76 15007 1 . LYS 77 77 15007 1 . GLU 78 78 15007 1 . GLY 79 79 15007 1 . SER 80 80 15007 1 . GLU 81 81 15007 1 . PRO 82 82 15007 1 . LEU 83 83 15007 1 . PHE 84 84 15007 1 . GLU 85 85 15007 1 . GLY 86 86 15007 1 . VAL 87 87 15007 1 . PHE 88 88 15007 1 . CYS 89 89 15007 1 . SER 90 90 15007 1 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 15007 _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 $msp-1 . 5855 organism . 'PLASMODIUM VIVAX' 'PLASMODIUM VIVAX' . . Eukaryota . Plasmodium vivax BELEM . . . . . . . . . . . . . . . MSP1 . . . . 15007 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 15007 _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 $msp-1 . 'recombinant technology' 'Escherichia coli' . . . . . BL21 DE3 . . . . . . . . . . . . . . pET-30Xa/LIC . . . . . . 15007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15007 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM k-phosphate, pH 6.5, 303K' _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 msp-1 '[U-100% 13C; U-100% 15N]' . . 1 $msp-1 . . . 0.5 1.0 mM 0.1 . . . 15007 1 2 k-phosphate . . . . . . . 20 . . mM . . . . 15007 1 3 H2O . . . . . . . 90 . . % . . . . 15007 1 4 D2O . . . . . . . 10 . . % . . . . 15007 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15007 _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' 0.02 0.01 M 15007 1 pH 6.5 0.1 pH 15007 1 pressure 1 0.1 atm 15007 1 temperature 303 0.1 K 15007 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15007 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CD Schwieters, JJ Kuszewski, N Tjandra and GM Clore' . . 15007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15007 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15007 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . 15007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15007 2 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 15007 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15007 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15007 _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 Varian INOVA . 500 . . . 15007 1 2 spectrometer_2 Varian INOVA . 600 . . . 15007 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 15007 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15007 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15007 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15007 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 15007 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15007 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15007 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15007 1 2 '2D 1H-13C HSQC' . . . 15007 1 4 '3D HNCO' . . . 15007 1 5 '3D HNCA' . . . 15007 1 6 '3D HNCACB' . . . 15007 1 7 '3D H(CCO)NH' . . . 15007 1 9 '3D 1H-15N NOESY' . . . 15007 1 10 '3D 1H-13C NOESY' . . . 15007 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 2 2 MET C C 13 175.821 0.2 . 1 . . . . 2 MET C . 15007 1 2 . 1 1 3 3 SER H H 1 8.6 0.05 . 1 . . . . 3 SER H . 15007 1 3 . 1 1 3 3 SER HA H 1 4.51 0.05 . 1 . . . . 3 SER HA . 15007 1 4 . 1 1 3 3 SER HB2 H 1 2.57 0.05 . 1 . . . . 3 SER HB2 . 15007 1 5 . 1 1 3 3 SER HB3 H 1 2.57 0.05 . 1 . . . . 3 SER HB3 . 15007 1 6 . 1 1 3 3 SER C C 13 175.651 0.2 . 1 . . . . 3 SER C . 15007 1 7 . 1 1 3 3 SER CA C 13 58.3 0.2 . 1 . . . . 3 SER CA . 15007 1 8 . 1 1 3 3 SER CB C 13 63.7 0.2 . 1 . . . . 3 SER CB . 15007 1 9 . 1 1 3 3 SER N N 15 118.4 0.2 . 1 . . . . 3 SER N . 15007 1 10 . 1 1 4 4 SER H H 1 8.68 0.05 . 1 . . . . 4 SER H . 15007 1 11 . 1 1 4 4 SER HA H 1 4.34 0.05 . 1 . . . . 4 SER HA . 15007 1 12 . 1 1 4 4 SER HB2 H 1 3.82 0.05 . 2 . . . . 4 SER HB2 . 15007 1 13 . 1 1 4 4 SER HB3 H 1 3.92 0.05 . 2 . . . . 4 SER HB3 . 15007 1 14 . 1 1 4 4 SER C C 13 176.128 0.2 . 1 . . . . 4 SER C . 15007 1 15 . 1 1 4 4 SER CA C 13 59.7 0.2 . 1 . . . . 4 SER CA . 15007 1 16 . 1 1 4 4 SER CB C 13 63.3 0.2 . 1 . . . . 4 SER CB . 15007 1 17 . 1 1 4 4 SER N N 15 119 0.2 . 1 . . . . 4 SER N . 15007 1 18 . 1 1 5 5 GLU H H 1 8.86 0.05 . 1 . . . . 5 GLU H . 15007 1 19 . 1 1 5 5 GLU HA H 1 4 0.05 . 1 . . . . 5 GLU HA . 15007 1 20 . 1 1 5 5 GLU HB2 H 1 1.81 0.05 . 2 . . . . 5 GLU HB2 . 15007 1 21 . 1 1 5 5 GLU HB3 H 1 1.94 0.05 . 2 . . . . 5 GLU HB3 . 15007 1 22 . 1 1 5 5 GLU HG2 H 1 1.21 0.05 . 1 . . . . 5 GLU HG2 . 15007 1 23 . 1 1 5 5 GLU HG3 H 1 1.21 0.05 . 1 . . . . 5 GLU HG3 . 15007 1 24 . 1 1 5 5 GLU C C 13 176.196 0.2 . 1 . . . . 5 GLU C . 15007 1 25 . 1 1 5 5 GLU CA C 13 58.3 0.2 . 1 . . . . 5 GLU CA . 15007 1 26 . 1 1 5 5 GLU CB C 13 28.9 0.2 . 1 . . . . 5 GLU CB . 15007 1 27 . 1 1 5 5 GLU CG C 13 36.6 0.2 . 1 . . . . 5 GLU CG . 15007 1 28 . 1 1 5 5 GLU N N 15 122.3 0.2 . 1 . . . . 5 GLU N . 15007 1 29 . 1 1 6 6 HIS H H 1 7.84 0.05 . 1 . . . . 6 HIS H . 15007 1 30 . 1 1 6 6 HIS HA H 1 4.96 0.05 . 1 . . . . 6 HIS HA . 15007 1 31 . 1 1 6 6 HIS HB2 H 1 2.76 0.05 . 2 . . . . 6 HIS HB2 . 15007 1 32 . 1 1 6 6 HIS HB3 H 1 2.63 0.05 . 2 . . . . 6 HIS HB3 . 15007 1 33 . 1 1 6 6 HIS C C 13 174.903 0.2 . 1 . . . . 6 HIS C . 15007 1 34 . 1 1 6 6 HIS CA C 13 54.6 0.2 . 1 . . . . 6 HIS CA . 15007 1 35 . 1 1 6 6 HIS CB C 13 26.7 0.2 . 1 . . . . 6 HIS CB . 15007 1 36 . 1 1 6 6 HIS N N 15 113.1 0.2 . 1 . . . . 6 HIS N . 15007 1 37 . 1 1 7 7 THR H H 1 7.5 0.05 . 1 . . . . 7 THR H . 15007 1 38 . 1 1 7 7 THR HA H 1 4.21 0.05 . 1 . . . . 7 THR HA . 15007 1 39 . 1 1 7 7 THR HB H 1 3.97 0.05 . 1 . . . . 7 THR HB . 15007 1 40 . 1 1 7 7 THR HG21 H 1 1.21 0.05 . 1 . . . . 7 THR HG2 . 15007 1 41 . 1 1 7 7 THR HG22 H 1 1.21 0.05 . 1 . . . . 7 THR HG2 . 15007 1 42 . 1 1 7 7 THR HG23 H 1 1.21 0.05 . 1 . . . . 7 THR HG2 . 15007 1 43 . 1 1 7 7 THR C C 13 173.525 0.2 . 1 . . . . 7 THR C . 15007 1 44 . 1 1 7 7 THR CA C 13 62.8 0.2 . 1 . . . . 7 THR CA . 15007 1 45 . 1 1 7 7 THR CB C 13 69.5 0.2 . 1 . . . . 7 THR CB . 15007 1 46 . 1 1 7 7 THR CG2 C 13 21.2 0.2 . 1 . . . . 7 THR CG2 . 15007 1 47 . 1 1 7 7 THR N N 15 120.6 0.2 . 1 . . . . 7 THR N . 15007 1 48 . 1 1 8 8 CYS H H 1 9.22 0.05 . 1 . . . . 8 CYS H . 15007 1 49 . 1 1 8 8 CYS HA H 1 4.04 0.05 . 1 . . . . 8 CYS HA . 15007 1 50 . 1 1 8 8 CYS HB2 H 1 3.03 0.05 . 2 . . . . 8 CYS HB2 . 15007 1 51 . 1 1 8 8 CYS HB3 H 1 3.17 0.05 . 2 . . . . 8 CYS HB3 . 15007 1 52 . 1 1 8 8 CYS C C 13 173.814 0.2 . 1 . . . . 8 CYS C . 15007 1 53 . 1 1 8 8 CYS CA C 13 56.6 0.2 . 1 . . . . 8 CYS CA . 15007 1 54 . 1 1 8 8 CYS CB C 13 41.5 0.2 . 1 . . . . 8 CYS CB . 15007 1 55 . 1 1 8 8 CYS N N 15 125.3 0.2 . 1 . . . . 8 CYS N . 15007 1 56 . 1 1 9 9 ILE H H 1 10.32 0.05 . 1 . . . . 9 ILE H . 15007 1 57 . 1 1 9 9 ILE HA H 1 4.32 0.05 . 1 . . . . 9 ILE HA . 15007 1 58 . 1 1 9 9 ILE HB H 1 1.79 0.05 . 1 . . . . 9 ILE HB . 15007 1 59 . 1 1 9 9 ILE HG12 H 1 1.29 0.05 . 2 . . . . 9 ILE HG12 . 15007 1 60 . 1 1 9 9 ILE HG13 H 1 0.85 0.05 . 2 . . . . 9 ILE HG13 . 15007 1 61 . 1 1 9 9 ILE HG21 H 1 0.71 0.05 . 1 . . . . 9 ILE HG2 . 15007 1 62 . 1 1 9 9 ILE HG22 H 1 0.71 0.05 . 1 . . . . 9 ILE HG2 . 15007 1 63 . 1 1 9 9 ILE HG23 H 1 0.71 0.05 . 1 . . . . 9 ILE HG2 . 15007 1 64 . 1 1 9 9 ILE HD11 H 1 0.67 0.05 . 1 . . . . 9 ILE HD1 . 15007 1 65 . 1 1 9 9 ILE HD12 H 1 0.67 0.05 . 1 . . . . 9 ILE HD1 . 15007 1 66 . 1 1 9 9 ILE HD13 H 1 0.67 0.05 . 1 . . . . 9 ILE HD1 . 15007 1 67 . 1 1 9 9 ILE C C 13 176.4 0.2 . 1 . . . . 9 ILE C . 15007 1 68 . 1 1 9 9 ILE CA C 13 62 0.2 . 1 . . . . 9 ILE CA . 15007 1 69 . 1 1 9 9 ILE CB C 13 41.5 0.2 . 1 . . . . 9 ILE CB . 15007 1 70 . 1 1 9 9 ILE CG1 C 13 26.7 0.2 . 1 . . . . 9 ILE CG1 . 15007 1 71 . 1 1 9 9 ILE CG2 C 13 17.4 0.2 . 1 . . . . 9 ILE CG2 . 15007 1 72 . 1 1 9 9 ILE CD1 C 13 13 0.2 . 1 . . . . 9 ILE CD1 . 15007 1 73 . 1 1 9 9 ILE N N 15 119.6 0.2 . 1 . . . . 9 ILE N . 15007 1 74 . 1 1 10 10 ASP H H 1 9.26 0.05 . 1 . . . . 10 ASP H . 15007 1 75 . 1 1 10 10 ASP HA H 1 4.83 0.05 . 1 . . . . 10 ASP HA . 15007 1 76 . 1 1 10 10 ASP HB2 H 1 2.34 0.05 . 2 . . . . 10 ASP HB2 . 15007 1 77 . 1 1 10 10 ASP HB3 H 1 2.7 0.05 . 2 . . . . 10 ASP HB3 . 15007 1 78 . 1 1 10 10 ASP C C 13 176.502 0.2 . 1 . . . . 10 ASP C . 15007 1 79 . 1 1 10 10 ASP CA C 13 55.4 0.2 . 1 . . . . 10 ASP CA . 15007 1 80 . 1 1 10 10 ASP CB C 13 43 0.2 . 1 . . . . 10 ASP CB . 15007 1 81 . 1 1 10 10 ASP N N 15 124.1 0.2 . 1 . . . . 10 ASP N . 15007 1 82 . 1 1 11 11 THR H H 1 8.02 0.05 . 1 . . . . 11 THR H . 15007 1 83 . 1 1 11 11 THR HA H 1 4.08 0.05 . 1 . . . . 11 THR HA . 15007 1 84 . 1 1 11 11 THR HB H 1 3.82 0.05 . 1 . . . . 11 THR HB . 15007 1 85 . 1 1 11 11 THR HG21 H 1 1.08 0.05 . 1 . . . . 11 THR HG2 . 15007 1 86 . 1 1 11 11 THR HG22 H 1 1.08 0.05 . 1 . . . . 11 THR HG2 . 15007 1 87 . 1 1 11 11 THR HG23 H 1 1.08 0.05 . 1 . . . . 11 THR HG2 . 15007 1 88 . 1 1 11 11 THR C C 13 173.304 0.2 . 1 . . . . 11 THR C . 15007 1 89 . 1 1 11 11 THR CA C 13 63.6 0.2 . 1 . . . . 11 THR CA . 15007 1 90 . 1 1 11 11 THR CB C 13 70.6 0.2 . 1 . . . . 11 THR CB . 15007 1 91 . 1 1 11 11 THR CG2 C 13 22.3 0.2 . 1 . . . . 11 THR CG2 . 15007 1 92 . 1 1 11 11 THR N N 15 117.8 0.2 . 1 . . . . 11 THR N . 15007 1 93 . 1 1 12 12 ASN H H 1 8.81 0.05 . 1 . . . . 12 ASN H . 15007 1 94 . 1 1 12 12 ASN HA H 1 4.62 0.05 . 1 . . . . 12 ASN HA . 15007 1 95 . 1 1 12 12 ASN HB2 H 1 2.6 0.05 . 2 . . . . 12 ASN HB2 . 15007 1 96 . 1 1 12 12 ASN HB3 H 1 2.69 0.05 . 2 . . . . 12 ASN HB3 . 15007 1 97 . 1 1 12 12 ASN HD21 H 1 7.47 0.05 . 1 . . . . 12 ASN HD21 . 15007 1 98 . 1 1 12 12 ASN HD22 H 1 6.83 0.05 . 1 . . . . 12 ASN HD22 . 15007 1 99 . 1 1 12 12 ASN C C 13 173.338 0.2 . 1 . . . . 12 ASN C . 15007 1 100 . 1 1 12 12 ASN CA C 13 52.1 0.2 . 1 . . . . 12 ASN CA . 15007 1 101 . 1 1 12 12 ASN CB C 13 37.1 0.2 . 1 . . . . 12 ASN CB . 15007 1 102 . 1 1 12 12 ASN N N 15 125.8 0.2 . 1 . . . . 12 ASN N . 15007 1 103 . 1 1 12 12 ASN ND2 N 15 112.3 0.2 . 1 . . . . 12 ASN ND2 . 15007 1 104 . 1 1 13 13 VAL H H 1 8.22 0.05 . 1 . . . . 13 VAL H . 15007 1 105 . 1 1 13 13 VAL HA H 1 3.25 0.05 . 1 . . . . 13 VAL HA . 15007 1 106 . 1 1 13 13 VAL HB H 1 1.76 0.05 . 1 . . . . 13 VAL HB . 15007 1 107 . 1 1 13 13 VAL HG11 H 1 0.76 0.05 . 2 . . . . 13 VAL HG1 . 15007 1 108 . 1 1 13 13 VAL HG12 H 1 0.76 0.05 . 2 . . . . 13 VAL HG1 . 15007 1 109 . 1 1 13 13 VAL HG13 H 1 0.76 0.05 . 2 . . . . 13 VAL HG1 . 15007 1 110 . 1 1 13 13 VAL HG21 H 1 0.66 0.05 . 2 . . . . 13 VAL HG2 . 15007 1 111 . 1 1 13 13 VAL HG22 H 1 0.66 0.05 . 2 . . . . 13 VAL HG2 . 15007 1 112 . 1 1 13 13 VAL HG23 H 1 0.66 0.05 . 2 . . . . 13 VAL HG2 . 15007 1 113 . 1 1 13 13 VAL CA C 13 61.1 0.2 . 1 . . . . 13 VAL CA . 15007 1 114 . 1 1 13 13 VAL CB C 13 32.7 0.2 . 1 . . . . 13 VAL CB . 15007 1 115 . 1 1 13 13 VAL CG1 C 13 23.4 0.2 . 2 . . . . 13 VAL CG1 . 15007 1 116 . 1 1 13 13 VAL CG2 C 13 21.2 0.2 . 2 . . . . 13 VAL CG2 . 15007 1 117 . 1 1 13 13 VAL N N 15 129.1 0.2 . 1 . . . . 13 VAL N . 15007 1 118 . 1 1 14 14 PRO HA H 1 3.98 0.05 . 1 . . . . 14 PRO HA . 15007 1 119 . 1 1 14 14 PRO HB2 H 1 1.03 0.05 . 2 . . . . 14 PRO HB2 . 15007 1 120 . 1 1 14 14 PRO HB3 H 1 1.83 0.05 . 2 . . . . 14 PRO HB3 . 15007 1 121 . 1 1 14 14 PRO HG2 H 1 0.61 0.05 . 2 . . . . 14 PRO HG2 . 15007 1 122 . 1 1 14 14 PRO HG3 H 1 -0.37 0.05 . 2 . . . . 14 PRO HG3 . 15007 1 123 . 1 1 14 14 PRO HD2 H 1 2.57 0.05 . 2 . . . . 14 PRO HD2 . 15007 1 124 . 1 1 14 14 PRO HD3 H 1 1.74 0.05 . 2 . . . . 14 PRO HD3 . 15007 1 125 . 1 1 14 14 PRO C C 13 175.056 0.2 . 1 . . . . 14 PRO C . 15007 1 126 . 1 1 14 14 PRO CA C 13 62.5 0.2 . 1 . . . . 14 PRO CA . 15007 1 127 . 1 1 14 14 PRO CB C 13 32.2 0.2 . 1 . . . . 14 PRO CB . 15007 1 128 . 1 1 14 14 PRO CG C 13 26.2 0.2 . 1 . . . . 14 PRO CG . 15007 1 129 . 1 1 14 14 PRO CD C 13 50.2 0.2 . 1 . . . . 14 PRO CD . 15007 1 130 . 1 1 15 15 ASP H H 1 7.88 0.05 . 1 . . . . 15 ASP H . 15007 1 131 . 1 1 15 15 ASP HA H 1 4.22 0.05 . 1 . . . . 15 ASP HA . 15007 1 132 . 1 1 15 15 ASP HB2 H 1 2.27 0.05 . 2 . . . . 15 ASP HB2 . 15007 1 133 . 1 1 15 15 ASP HB3 H 1 2.42 0.05 . 2 . . . . 15 ASP HB3 . 15007 1 134 . 1 1 15 15 ASP C C 13 177.233 0.2 . 1 . . . . 15 ASP C . 15007 1 135 . 1 1 15 15 ASP CA C 13 55 0.2 . 1 . . . . 15 ASP CA . 15007 1 136 . 1 1 15 15 ASP CB C 13 40.4 0.2 . 1 . . . . 15 ASP CB . 15007 1 137 . 1 1 15 15 ASP N N 15 119.1 0.2 . 1 . . . . 15 ASP N . 15007 1 138 . 1 1 16 16 ASN H H 1 8.76 0.05 . 1 . . . . 16 ASN H . 15007 1 139 . 1 1 16 16 ASN HA H 1 3.61 0.05 . 1 . . . . 16 ASN HA . 15007 1 140 . 1 1 16 16 ASN HB2 H 1 2.18 0.05 . 2 . . . . 16 ASN HB2 . 15007 1 141 . 1 1 16 16 ASN HB3 H 1 0.62 0.05 . 2 . . . . 16 ASN HB3 . 15007 1 142 . 1 1 16 16 ASN HD21 H 1 6.94 0.05 . 1 . . . . 16 ASN HD21 . 15007 1 143 . 1 1 16 16 ASN HD22 H 1 6.83 0.05 . 1 . . . . 16 ASN HD22 . 15007 1 144 . 1 1 16 16 ASN C C 13 170.905 0.2 . 1 . . . . 16 ASN C . 15007 1 145 . 1 1 16 16 ASN CA C 13 54.2 0.2 . 1 . . . . 16 ASN CA . 15007 1 146 . 1 1 16 16 ASN CB C 13 36.1 0.2 . 1 . . . . 16 ASN CB . 15007 1 147 . 1 1 16 16 ASN N N 15 113.9 0.2 . 1 . . . . 16 ASN N . 15007 1 148 . 1 1 16 16 ASN ND2 N 15 116.5 0.2 . 1 . . . . 16 ASN ND2 . 15007 1 149 . 1 1 17 17 ALA H H 1 7.08 0.05 . 1 . . . . 17 ALA H . 15007 1 150 . 1 1 17 17 ALA HA H 1 4.96 0.05 . 1 . . . . 17 ALA HA . 15007 1 151 . 1 1 17 17 ALA HB1 H 1 1.21 0.05 . 1 . . . . 17 ALA HB . 15007 1 152 . 1 1 17 17 ALA HB2 H 1 1.21 0.05 . 1 . . . . 17 ALA HB . 15007 1 153 . 1 1 17 17 ALA HB3 H 1 1.21 0.05 . 1 . . . . 17 ALA HB . 15007 1 154 . 1 1 17 17 ALA C C 13 175.45 0.2 . 1 . . . . 17 ALA C . 15007 1 155 . 1 1 17 17 ALA CA C 13 50.5 0.2 . 1 . . . . 17 ALA CA . 15007 1 156 . 1 1 17 17 ALA CB C 13 24.2 0.2 . 1 . . . . 17 ALA CB . 15007 1 157 . 1 1 17 17 ALA N N 15 115.2 0.2 . 1 . . . . 17 ALA N . 15007 1 158 . 1 1 18 18 ALA H H 1 8.98 0.05 . 1 . . . . 18 ALA H . 15007 1 159 . 1 1 18 18 ALA HA H 1 4.18 0.05 . 1 . . . . 18 ALA HA . 15007 1 160 . 1 1 18 18 ALA HB1 H 1 0.41 0.05 . 1 . . . . 18 ALA HB . 15007 1 161 . 1 1 18 18 ALA HB2 H 1 0.41 0.05 . 1 . . . . 18 ALA HB . 15007 1 162 . 1 1 18 18 ALA HB3 H 1 0.41 0.05 . 1 . . . . 18 ALA HB . 15007 1 163 . 1 1 18 18 ALA C C 13 175.294 0.2 . 1 . . . . 18 ALA C . 15007 1 164 . 1 1 18 18 ALA CA C 13 50 0.2 . 1 . . . . 18 ALA CA . 15007 1 165 . 1 1 18 18 ALA CB C 13 21.9 0.2 . 1 . . . . 18 ALA CB . 15007 1 166 . 1 1 18 18 ALA N N 15 121 0.2 . 1 . . . . 18 ALA N . 15007 1 167 . 1 1 19 19 CYS H H 1 8.18 0.05 . 1 . . . . 19 CYS H . 15007 1 168 . 1 1 19 19 CYS HA H 1 5.5 0.05 . 1 . . . . 19 CYS HA . 15007 1 169 . 1 1 19 19 CYS HB2 H 1 2.52 0.05 . 2 . . . . 19 CYS HB2 . 15007 1 170 . 1 1 19 19 CYS HB3 H 1 2.95 0.05 . 2 . . . . 19 CYS HB3 . 15007 1 171 . 1 1 19 19 CYS C C 13 170.922 0.2 . 1 . . . . 19 CYS C . 15007 1 172 . 1 1 19 19 CYS CA C 13 54.5 0.2 . 1 . . . . 19 CYS CA . 15007 1 173 . 1 1 19 19 CYS CB C 13 42.2 0.2 . 1 . . . . 19 CYS CB . 15007 1 174 . 1 1 19 19 CYS N N 15 119.6 0.2 . 1 . . . . 19 CYS N . 15007 1 175 . 1 1 20 20 TYR H H 1 8.98 0.05 . 1 . . . . 20 TYR H . 15007 1 176 . 1 1 20 20 TYR HA H 1 4.27 0.05 . 1 . . . . 20 TYR HA . 15007 1 177 . 1 1 20 20 TYR HB2 H 1 0.81 0.05 . 2 . . . . 20 TYR HB2 . 15007 1 178 . 1 1 20 20 TYR HB3 H 1 1.77 0.05 . 2 . . . . 20 TYR HB3 . 15007 1 179 . 1 1 20 20 TYR C C 13 171.433 0.2 . 1 . . . . 20 TYR C . 15007 1 180 . 1 1 20 20 TYR CA C 13 57.8 0.2 . 1 . . . . 20 TYR CA . 15007 1 181 . 1 1 20 20 TYR CB C 13 42.6 0.2 . 1 . . . . 20 TYR CB . 15007 1 182 . 1 1 20 20 TYR N N 15 132.4 0.2 . 1 . . . . 20 TYR N . 15007 1 183 . 1 1 21 21 ARG H H 1 7.22 0.05 . 1 . . . . 21 ARG H . 15007 1 184 . 1 1 21 21 ARG HA H 1 4.94 0.05 . 1 . . . . 21 ARG HA . 15007 1 185 . 1 1 21 21 ARG HB2 H 1 0.89 0.05 . 2 . . . . 21 ARG HB2 . 15007 1 186 . 1 1 21 21 ARG HB3 H 1 0.97 0.05 . 2 . . . . 21 ARG HB3 . 15007 1 187 . 1 1 21 21 ARG HG2 H 1 1.45 0.05 . 2 . . . . 21 ARG HG2 . 15007 1 188 . 1 1 21 21 ARG HG3 H 1 1.51 0.05 . 2 . . . . 21 ARG HG3 . 15007 1 189 . 1 1 21 21 ARG HD2 H 1 2.86 0.05 . 2 . . . . 21 ARG HD2 . 15007 1 190 . 1 1 21 21 ARG HD3 H 1 3.27 0.05 . 2 . . . . 21 ARG HD3 . 15007 1 191 . 1 1 21 21 ARG HE H 1 7.12 0.05 . 1 . . . . 21 ARG HE . 15007 1 192 . 1 1 21 21 ARG C C 13 174.784 0.2 . 1 . . . . 21 ARG C . 15007 1 193 . 1 1 21 21 ARG CA C 13 53.6 0.2 . 1 . . . . 21 ARG CA . 15007 1 194 . 1 1 21 21 ARG CB C 13 32.5 0.2 . 1 . . . . 21 ARG CB . 15007 1 195 . 1 1 21 21 ARG CG C 13 27.8 0.2 . 1 . . . . 21 ARG CG . 15007 1 196 . 1 1 21 21 ARG CD C 13 43.7 0.2 . 1 . . . . 21 ARG CD . 15007 1 197 . 1 1 21 21 ARG N N 15 127.6 0.2 . 1 . . . . 21 ARG N . 15007 1 198 . 1 1 22 22 TYR H H 1 9.32 0.05 . 1 . . . . 22 TYR H . 15007 1 199 . 1 1 22 22 TYR HA H 1 4.4 0.05 . 1 . . . . 22 TYR HA . 15007 1 200 . 1 1 22 22 TYR HB2 H 1 3.33 0.05 . 2 . . . . 22 TYR HB2 . 15007 1 201 . 1 1 22 22 TYR HB3 H 1 3.12 0.05 . 2 . . . . 22 TYR HB3 . 15007 1 202 . 1 1 22 22 TYR C C 13 177.873 0.2 . 1 . . . . 22 TYR C . 15007 1 203 . 1 1 22 22 TYR CA C 13 58.6 0.2 . 1 . . . . 22 TYR CA . 15007 1 204 . 1 1 22 22 TYR CB C 13 39.3 0.2 . 1 . . . . 22 TYR CB . 15007 1 205 . 1 1 22 22 TYR N N 15 127.3 0.2 . 1 . . . . 22 TYR N . 15007 1 206 . 1 1 23 23 LEU H H 1 9.13 0.05 . 1 . . . . 23 LEU H . 15007 1 207 . 1 1 23 23 LEU HA H 1 4.05 0.05 . 1 . . . . 23 LEU HA . 15007 1 208 . 1 1 23 23 LEU HB2 H 1 1.6 0.05 . 2 . . . . 23 LEU HB2 . 15007 1 209 . 1 1 23 23 LEU HB3 H 1 1.82 0.05 . 2 . . . . 23 LEU HB3 . 15007 1 210 . 1 1 23 23 LEU HD11 H 1 0.96 0.05 . 2 . . . . 23 LEU HD1 . 15007 1 211 . 1 1 23 23 LEU HD12 H 1 0.96 0.05 . 2 . . . . 23 LEU HD1 . 15007 1 212 . 1 1 23 23 LEU HD13 H 1 0.96 0.05 . 2 . . . . 23 LEU HD1 . 15007 1 213 . 1 1 23 23 LEU HD21 H 1 0.75 0.05 . 2 . . . . 23 LEU HD2 . 15007 1 214 . 1 1 23 23 LEU HD22 H 1 0.75 0.05 . 2 . . . . 23 LEU HD2 . 15007 1 215 . 1 1 23 23 LEU HD23 H 1 0.75 0.05 . 2 . . . . 23 LEU HD2 . 15007 1 216 . 1 1 23 23 LEU C C 13 177.659 0.2 . 1 . . . . 23 LEU C . 15007 1 217 . 1 1 23 23 LEU CA C 13 57.7 0.2 . 1 . . . . 23 LEU CA . 15007 1 218 . 1 1 23 23 LEU CB C 13 41.2 0.2 . 1 . . . . 23 LEU CB . 15007 1 219 . 1 1 23 23 LEU CD1 C 13 5.1 0.2 . 2 . . . . 23 LEU CD1 . 15007 1 220 . 1 1 23 23 LEU CD2 C 13 22.9 0.2 . 2 . . . . 23 LEU CD2 . 15007 1 221 . 1 1 23 23 LEU N N 15 121 0.2 . 1 . . . . 23 LEU N . 15007 1 222 . 1 1 24 24 ASP H H 1 7.83 0.05 . 1 . . . . 24 ASP H . 15007 1 223 . 1 1 24 24 ASP HA H 1 4.44 0.05 . 1 . . . . 24 ASP HA . 15007 1 224 . 1 1 24 24 ASP HB2 H 1 2.58 0.05 . 2 . . . . 24 ASP HB2 . 15007 1 225 . 1 1 24 24 ASP HB3 H 1 3.05 0.05 . 2 . . . . 24 ASP HB3 . 15007 1 226 . 1 1 24 24 ASP C C 13 177.029 0.2 . 1 . . . . 24 ASP C . 15007 1 227 . 1 1 24 24 ASP CA C 13 53.6 0.2 . 1 . . . . 24 ASP CA . 15007 1 228 . 1 1 24 24 ASP CB C 13 9.7 0.2 . 1 . . . . 24 ASP CB . 15007 1 229 . 1 1 24 24 ASP N N 15 115.3 0.2 . 1 . . . . 24 ASP N . 15007 1 230 . 1 1 25 25 GLY H H 1 8.25 0.05 . 1 . . . . 25 GLY H . 15007 1 231 . 1 1 25 25 GLY HA2 H 1 3.43 0.05 . 2 . . . . 25 GLY HA2 . 15007 1 232 . 1 1 25 25 GLY HA3 H 1 4.3 0.05 . 2 . . . . 25 GLY HA3 . 15007 1 233 . 1 1 25 25 GLY C C 13 173.916 0.2 . 1 . . . . 25 GLY C . 15007 1 234 . 1 1 25 25 GLY CA C 13 45 0.2 . 1 . . . . 25 GLY CA . 15007 1 235 . 1 1 25 25 GLY N N 15 109.1 0.2 . 1 . . . . 25 GLY N . 15007 1 236 . 1 1 26 26 THR H H 1 8.11 0.05 . 1 . . . . 26 THR H . 15007 1 237 . 1 1 26 26 THR HA H 1 4.23 0.05 . 1 . . . . 26 THR HA . 15007 1 238 . 1 1 26 26 THR HB H 1 4.07 0.05 . 1 . . . . 26 THR HB . 15007 1 239 . 1 1 26 26 THR HG21 H 1 1.15 0.05 . 1 . . . . 26 THR HG2 . 15007 1 240 . 1 1 26 26 THR HG22 H 1 1.15 0.05 . 1 . . . . 26 THR HG2 . 15007 1 241 . 1 1 26 26 THR HG23 H 1 1.15 0.05 . 1 . . . . 26 THR HG2 . 15007 1 242 . 1 1 26 26 THR C C 13 173.253 0.2 . 1 . . . . 26 THR C . 15007 1 243 . 1 1 26 26 THR CA C 13 63.2 0.2 . 1 . . . . 26 THR CA . 15007 1 244 . 1 1 26 26 THR CB C 13 70 0.2 . 1 . . . . 26 THR CB . 15007 1 245 . 1 1 26 26 THR CG2 C 13 22.3 0.2 . 1 . . . . 26 THR CG2 . 15007 1 246 . 1 1 26 26 THR N N 15 115.3 0.2 . 1 . . . . 26 THR N . 15007 1 247 . 1 1 27 27 GLU H H 1 8.56 0.05 . 1 . . . . 27 GLU H . 15007 1 248 . 1 1 27 27 GLU HA H 1 5.41 0.05 . 1 . . . . 27 GLU HA . 15007 1 249 . 1 1 27 27 GLU HB2 H 1 1.75 0.05 . 2 . . . . 27 GLU HB2 . 15007 1 250 . 1 1 27 27 GLU HB3 H 1 1.85 0.05 . 2 . . . . 27 GLU HB3 . 15007 1 251 . 1 1 27 27 GLU HG2 H 1 2.1 0.05 . 2 . . . . 27 GLU HG2 . 15007 1 252 . 1 1 27 27 GLU HG3 H 1 2.61 0.05 . 2 . . . . 27 GLU HG3 . 15007 1 253 . 1 1 27 27 GLU C C 13 175.975 0.2 . 1 . . . . 27 GLU C . 15007 1 254 . 1 1 27 27 GLU CA C 13 55.1 0.2 . 1 . . . . 27 GLU CA . 15007 1 255 . 1 1 27 27 GLU CB C 13 33.2 0.2 . 1 . . . . 27 GLU CB . 15007 1 256 . 1 1 27 27 GLU CG C 13 37.1 0.2 . 1 . . . . 27 GLU CG . 15007 1 257 . 1 1 27 27 GLU N N 15 121 0.2 . 1 . . . . 27 GLU N . 15007 1 258 . 1 1 28 28 GLU H H 1 8.84 0.05 . 1 . . . . 28 GLU H . 15007 1 259 . 1 1 28 28 GLU HA H 1 4.85 0.05 . 1 . . . . 28 GLU HA . 15007 1 260 . 1 1 28 28 GLU HB2 H 1 2.1 0.05 . 2 . . . . 28 GLU HB2 . 15007 1 261 . 1 1 28 28 GLU HB3 H 1 2.45 0.05 . 2 . . . . 28 GLU HB3 . 15007 1 262 . 1 1 28 28 GLU HG2 H 1 2.24 0.05 . 1 . . . . 28 GLU HG2 . 15007 1 263 . 1 1 28 28 GLU HG3 H 1 2.24 0.05 . 1 . . . . 28 GLU HG3 . 15007 1 264 . 1 1 28 28 GLU C C 13 173.3 0.2 . 1 . . . . 28 GLU C . 15007 1 265 . 1 1 28 28 GLU CA C 13 54.6 0.2 . 1 . . . . 28 GLU CA . 15007 1 266 . 1 1 28 28 GLU CB C 13 35.7 0.2 . 1 . . . . 28 GLU CB . 15007 1 267 . 1 1 28 28 GLU CG C 13 35.4 0.2 . 1 . . . . 28 GLU CG . 15007 1 268 . 1 1 28 28 GLU N N 15 124.1 0.2 . 1 . . . . 28 GLU N . 15007 1 269 . 1 1 29 29 TRP C C 13 174.7 0.2 . 1 . . . . 29 TRP C . 15007 1 270 . 1 1 30 30 ARG C C 13 175.226 0.2 . 1 . . . . 30 ARG C . 15007 1 271 . 1 1 31 31 CYS H H 1 9.31 0.05 . 1 . . . . 31 CYS H . 15007 1 272 . 1 1 31 31 CYS HA H 1 4.93 0.05 . 1 . . . . 31 CYS HA . 15007 1 273 . 1 1 31 31 CYS HB2 H 1 2.67 0.05 . 2 . . . . 31 CYS HB2 . 15007 1 274 . 1 1 31 31 CYS HB3 H 1 3.04 0.05 . 2 . . . . 31 CYS HB3 . 15007 1 275 . 1 1 31 31 CYS C C 13 174.086 0.2 . 1 . . . . 31 CYS C . 15007 1 276 . 1 1 31 31 CYS CA C 13 54.3 0.2 . 1 . . . . 31 CYS CA . 15007 1 277 . 1 1 31 31 CYS CB C 13 36.5 0.2 . 1 . . . . 31 CYS CB . 15007 1 278 . 1 1 31 31 CYS N N 15 119.4 0.2 . 1 . . . . 31 CYS N . 15007 1 279 . 1 1 32 32 LEU H H 1 8.19 0.05 . 1 . . . . 32 LEU H . 15007 1 280 . 1 1 32 32 LEU HA H 1 4.3 0.05 . 1 . . . . 32 LEU HA . 15007 1 281 . 1 1 32 32 LEU HB2 H 1 1.53 0.05 . 2 . . . . 32 LEU HB2 . 15007 1 282 . 1 1 32 32 LEU HB3 H 1 1.72 0.05 . 2 . . . . 32 LEU HB3 . 15007 1 283 . 1 1 32 32 LEU HG H 1 1.1 0.05 . 1 . . . . 32 LEU HG . 15007 1 284 . 1 1 32 32 LEU HD11 H 1 0.67 0.05 . 2 . . . . 32 LEU HD1 . 15007 1 285 . 1 1 32 32 LEU HD12 H 1 0.67 0.05 . 2 . . . . 32 LEU HD1 . 15007 1 286 . 1 1 32 32 LEU HD13 H 1 0.67 0.05 . 2 . . . . 32 LEU HD1 . 15007 1 287 . 1 1 32 32 LEU HD21 H 1 0.89 0.05 . 2 . . . . 32 LEU HD2 . 15007 1 288 . 1 1 32 32 LEU HD22 H 1 0.89 0.05 . 2 . . . . 32 LEU HD2 . 15007 1 289 . 1 1 32 32 LEU HD23 H 1 0.89 0.05 . 2 . . . . 32 LEU HD2 . 15007 1 290 . 1 1 32 32 LEU C C 13 176.298 0.2 . 1 . . . . 32 LEU C . 15007 1 291 . 1 1 32 32 LEU CA C 13 54.9 0.2 . 1 . . . . 32 LEU CA . 15007 1 292 . 1 1 32 32 LEU CB C 13 42.3 0.2 . 1 . . . . 32 LEU CB . 15007 1 293 . 1 1 32 32 LEU CG C 13 27.3 0.2 . 1 . . . . 32 LEU CG . 15007 1 294 . 1 1 32 32 LEU CD1 C 13 26.2 0.2 . 2 . . . . 32 LEU CD1 . 15007 1 295 . 1 1 32 32 LEU CD2 C 13 22.9 0.2 . 2 . . . . 32 LEU CD2 . 15007 1 296 . 1 1 32 32 LEU N N 15 119.2 0.2 . 1 . . . . 32 LEU N . 15007 1 297 . 1 1 33 33 LEU H H 1 8.61 0.05 . 1 . . . . 33 LEU H . 15007 1 298 . 1 1 33 33 LEU HA H 1 4.3 0.05 . 1 . . . . 33 LEU HA . 15007 1 299 . 1 1 33 33 LEU HB2 H 1 1.79 0.05 . 2 . . . . 33 LEU HB2 . 15007 1 300 . 1 1 33 33 LEU HB3 H 1 1.33 0.05 . 2 . . . . 33 LEU HB3 . 15007 1 301 . 1 1 33 33 LEU HG H 1 1.08 0.05 . 1 . . . . 33 LEU HG . 15007 1 302 . 1 1 33 33 LEU HD11 H 1 0.89 0.05 . 2 . . . . 33 LEU HD1 . 15007 1 303 . 1 1 33 33 LEU HD12 H 1 0.89 0.05 . 2 . . . . 33 LEU HD1 . 15007 1 304 . 1 1 33 33 LEU HD13 H 1 0.89 0.05 . 2 . . . . 33 LEU HD1 . 15007 1 305 . 1 1 33 33 LEU HD21 H 1 0.7 0.05 . 2 . . . . 33 LEU HD2 . 15007 1 306 . 1 1 33 33 LEU HD22 H 1 0.7 0.05 . 2 . . . . 33 LEU HD2 . 15007 1 307 . 1 1 33 33 LEU HD23 H 1 0.7 0.05 . 2 . . . . 33 LEU HD2 . 15007 1 308 . 1 1 33 33 LEU C C 13 180.683 0.2 . 1 . . . . 33 LEU C . 15007 1 309 . 1 1 33 33 LEU CA C 13 56.1 0.2 . 1 . . . . 33 LEU CA . 15007 1 310 . 1 1 33 33 LEU CB C 13 42 0.2 . 1 . . . . 33 LEU CB . 15007 1 311 . 1 1 33 33 LEU CD1 C 13 25.6 0.2 . 1 . . . . 33 LEU CD1 . 15007 1 312 . 1 1 33 33 LEU CD2 C 13 25.6 0.2 . 1 . . . . 33 LEU CD2 . 15007 1 313 . 1 1 33 33 LEU N N 15 116.5 0.2 . 1 . . . . 33 LEU N . 15007 1 314 . 1 1 34 34 THR H H 1 9.26 0.05 . 1 . . . . 34 THR H . 15007 1 315 . 1 1 34 34 THR HA H 1 3.76 0.05 . 1 . . . . 34 THR HA . 15007 1 316 . 1 1 34 34 THR HB H 1 4.23 0.05 . 1 . . . . 34 THR HB . 15007 1 317 . 1 1 34 34 THR HG21 H 1 1.05 0.05 . 1 . . . . 34 THR HG2 . 15007 1 318 . 1 1 34 34 THR HG22 H 1 1.05 0.05 . 1 . . . . 34 THR HG2 . 15007 1 319 . 1 1 34 34 THR HG23 H 1 1.05 0.05 . 1 . . . . 34 THR HG2 . 15007 1 320 . 1 1 34 34 THR C C 13 171.552 0.2 . 1 . . . . 34 THR C . 15007 1 321 . 1 1 34 34 THR CA C 13 65.7 0.2 . 1 . . . . 34 THR CA . 15007 1 322 . 1 1 34 34 THR CB C 13 68.3 0.2 . 1 . . . . 34 THR CB . 15007 1 323 . 1 1 34 34 THR CG2 C 13 21.2 0.2 . 1 . . . . 34 THR CG2 . 15007 1 324 . 1 1 34 34 THR N N 15 113.3 0.2 . 1 . . . . 34 THR N . 15007 1 325 . 1 1 35 35 PHE H H 1 8.41 0.05 . 1 . . . . 35 PHE H . 15007 1 326 . 1 1 35 35 PHE HA H 1 5.15 0.05 . 1 . . . . 35 PHE HA . 15007 1 327 . 1 1 35 35 PHE HB2 H 1 3.29 0.05 . 2 . . . . 35 PHE HB2 . 15007 1 328 . 1 1 35 35 PHE HB3 H 1 2.63 0.05 . 2 . . . . 35 PHE HB3 . 15007 1 329 . 1 1 35 35 PHE C C 13 174.478 0.2 . 1 . . . . 35 PHE C . 15007 1 330 . 1 1 35 35 PHE CA C 13 56.6 0.2 . 1 . . . . 35 PHE CA . 15007 1 331 . 1 1 35 35 PHE CB C 13 41.8 0.2 . 1 . . . . 35 PHE CB . 15007 1 332 . 1 1 35 35 PHE N N 15 119.6 0.2 . 1 . . . . 35 PHE N . 15007 1 333 . 1 1 36 36 LYS H H 1 9.83 0.05 . 1 . . . . 36 LYS H . 15007 1 334 . 1 1 36 36 LYS HA H 1 4.78 0.05 . 1 . . . . 36 LYS HA . 15007 1 335 . 1 1 36 36 LYS HB2 H 1 1.81 0.05 . 2 . . . . 36 LYS HB2 . 15007 1 336 . 1 1 36 36 LYS HB3 H 1 1.59 0.05 . 2 . . . . 36 LYS HB3 . 15007 1 337 . 1 1 36 36 LYS HG2 H 1 1.16 0.05 . 2 . . . . 36 LYS HG2 . 15007 1 338 . 1 1 36 36 LYS HG3 H 1 1.29 0.05 . 2 . . . . 36 LYS HG3 . 15007 1 339 . 1 1 36 36 LYS HE2 H 1 2.89 0.05 . 1 . . . . 36 LYS HE2 . 15007 1 340 . 1 1 36 36 LYS HE3 H 1 2.89 0.05 . 1 . . . . 36 LYS HE3 . 15007 1 341 . 1 1 36 36 LYS C C 13 174.12 0.2 . 1 . . . . 36 LYS C . 15007 1 342 . 1 1 36 36 LYS CA C 13 54.1 0.2 . 1 . . . . 36 LYS CA . 15007 1 343 . 1 1 36 36 LYS CB C 13 35.7 0.2 . 1 . . . . 36 LYS CB . 15007 1 344 . 1 1 36 36 LYS CG C 13 23.4 0.2 . 1 . . . . 36 LYS CG . 15007 1 345 . 1 1 36 36 LYS N N 15 118.4 0.2 . 1 . . . . 36 LYS N . 15007 1 346 . 1 1 37 37 GLU H H 1 8.77 0.05 . 1 . . . . 37 GLU H . 15007 1 347 . 1 1 37 37 GLU HA H 1 5.03 0.05 . 1 . . . . 37 GLU HA . 15007 1 348 . 1 1 37 37 GLU HB2 H 1 2.01 0.05 . 2 . . . . 37 GLU HB2 . 15007 1 349 . 1 1 37 37 GLU HB3 H 1 2.09 0.05 . 2 . . . . 37 GLU HB3 . 15007 1 350 . 1 1 37 37 GLU HG2 H 1 2.25 0.05 . 2 . . . . 37 GLU HG2 . 15007 1 351 . 1 1 37 37 GLU HG3 H 1 2.49 0.05 . 2 . . . . 37 GLU HG3 . 15007 1 352 . 1 1 37 37 GLU C C 13 174.784 0.2 . 1 . . . . 37 GLU C . 15007 1 353 . 1 1 37 37 GLU CA C 13 57.2 0.2 . 1 . . . . 37 GLU CA . 15007 1 354 . 1 1 37 37 GLU CB C 13 29.7 0.2 . 1 . . . . 37 GLU CB . 15007 1 355 . 1 1 37 37 GLU CG C 13 37.7 0.2 . 1 . . . . 37 GLU CG . 15007 1 356 . 1 1 37 37 GLU N N 15 125.1 0.2 . 1 . . . . 37 GLU N . 15007 1 357 . 1 1 38 38 GLU H H 1 9.31 0.05 . 1 . . . . 38 GLU H . 15007 1 358 . 1 1 38 38 GLU HA H 1 4.42 0.05 . 1 . . . . 38 GLU HA . 15007 1 359 . 1 1 38 38 GLU HB2 H 1 1.83 0.05 . 2 . . . . 38 GLU HB2 . 15007 1 360 . 1 1 38 38 GLU HB3 H 1 1.92 0.05 . 2 . . . . 38 GLU HB3 . 15007 1 361 . 1 1 38 38 GLU HG2 H 1 2 0.05 . 2 . . . . 38 GLU HG2 . 15007 1 362 . 1 1 38 38 GLU HG3 H 1 2.1 0.05 . 2 . . . . 38 GLU HG3 . 15007 1 363 . 1 1 38 38 GLU C C 13 177.08 0.2 . 1 . . . . 38 GLU C . 15007 1 364 . 1 1 38 38 GLU CA C 13 56.7 0.2 . 1 . . . . 38 GLU CA . 15007 1 365 . 1 1 38 38 GLU CB C 13 33.4 0.2 . 1 . . . . 38 GLU CB . 15007 1 366 . 1 1 38 38 GLU CG C 13 36.6 0.2 . 1 . . . . 38 GLU CG . 15007 1 367 . 1 1 38 38 GLU N N 15 127.6 0.2 . 1 . . . . 38 GLU N . 15007 1 368 . 1 1 39 39 GLY H H 1 9.36 0.05 . 1 . . . . 39 GLY H . 15007 1 369 . 1 1 39 39 GLY HA2 H 1 3.99 0.05 . 2 . . . . 39 GLY HA2 . 15007 1 370 . 1 1 39 39 GLY HA3 H 1 3.85 0.05 . 2 . . . . 39 GLY HA3 . 15007 1 371 . 1 1 39 39 GLY C C 13 175.736 0.2 . 1 . . . . 39 GLY C . 15007 1 372 . 1 1 39 39 GLY CA C 13 47.6 0.2 . 1 . . . . 39 GLY CA . 15007 1 373 . 1 1 39 39 GLY N N 15 118.4 0.2 . 1 . . . . 39 GLY N . 15007 1 374 . 1 1 40 40 GLY H H 1 9.42 0.05 . 1 . . . . 40 GLY H . 15007 1 375 . 1 1 40 40 GLY HA2 H 1 4.22 0.05 . 2 . . . . 40 GLY HA2 . 15007 1 376 . 1 1 40 40 GLY HA3 H 1 3.85 0.05 . 2 . . . . 40 GLY HA3 . 15007 1 377 . 1 1 40 40 GLY C C 13 172.402 0.2 . 1 . . . . 40 GLY C . 15007 1 378 . 1 1 40 40 GLY CA C 13 45.5 0.2 . 1 . . . . 40 GLY CA . 15007 1 379 . 1 1 40 40 GLY N N 15 107.4 0.2 . 1 . . . . 40 GLY N . 15007 1 380 . 1 1 41 41 LYS H H 1 7.67 0.05 . 1 . . . . 41 LYS H . 15007 1 381 . 1 1 41 41 LYS HA H 1 4.46 0.05 . 1 . . . . 41 LYS HA . 15007 1 382 . 1 1 41 41 LYS HB2 H 1 1.63 0.05 . 2 . . . . 41 LYS HB2 . 15007 1 383 . 1 1 41 41 LYS HB3 H 1 1.79 0.05 . 2 . . . . 41 LYS HB3 . 15007 1 384 . 1 1 41 41 LYS HG2 H 1 1.35 0.05 . 1 . . . . 41 LYS HG2 . 15007 1 385 . 1 1 41 41 LYS HG3 H 1 1.35 0.05 . 1 . . . . 41 LYS HG3 . 15007 1 386 . 1 1 41 41 LYS HE2 H 1 2.94 0.05 . 1 . . . . 41 LYS HE2 . 15007 1 387 . 1 1 41 41 LYS HE3 H 1 2.94 0.05 . 1 . . . . 41 LYS HE3 . 15007 1 388 . 1 1 41 41 LYS C C 13 174.273 0.2 . 1 . . . . 41 LYS C . 15007 1 389 . 1 1 41 41 LYS CA C 13 53.8 0.2 . 1 . . . . 41 LYS CA . 15007 1 390 . 1 1 41 41 LYS CB C 13 35.5 0.2 . 1 . . . . 41 LYS CB . 15007 1 391 . 1 1 41 41 LYS N N 15 118 0.2 . 1 . . . . 41 LYS N . 15007 1 392 . 1 1 42 42 CYS H H 1 8.96 0.05 . 1 . . . . 42 CYS H . 15007 1 393 . 1 1 42 42 CYS HA H 1 5.38 0.05 . 1 . . . . 42 CYS HA . 15007 1 394 . 1 1 42 42 CYS HB2 H 1 2.52 0.05 . 2 . . . . 42 CYS HB2 . 15007 1 395 . 1 1 42 42 CYS HB3 H 1 2.94 0.05 . 2 . . . . 42 CYS HB3 . 15007 1 396 . 1 1 42 42 CYS C C 13 174.359 0.2 . 1 . . . . 42 CYS C . 15007 1 397 . 1 1 42 42 CYS CA C 13 54.6 0.2 . 1 . . . . 42 CYS CA . 15007 1 398 . 1 1 42 42 CYS CB C 13 40.8 0.2 . 1 . . . . 42 CYS CB . 15007 1 399 . 1 1 42 42 CYS N N 15 118.6 0.2 . 1 . . . . 42 CYS N . 15007 1 400 . 1 1 43 43 VAL H H 1 9.5 0.05 . 1 . . . . 43 VAL H . 15007 1 401 . 1 1 43 43 VAL HA H 1 5.12 0.05 . 1 . . . . 43 VAL HA . 15007 1 402 . 1 1 43 43 VAL HB H 1 2.35 0.05 . 1 . . . . 43 VAL HB . 15007 1 403 . 1 1 43 43 VAL HG11 H 1 0.95 0.05 . 2 . . . . 43 VAL HG1 . 15007 1 404 . 1 1 43 43 VAL HG12 H 1 0.95 0.05 . 2 . . . . 43 VAL HG1 . 15007 1 405 . 1 1 43 43 VAL HG13 H 1 0.95 0.05 . 2 . . . . 43 VAL HG1 . 15007 1 406 . 1 1 43 43 VAL HG21 H 1 0.83 0.05 . 2 . . . . 43 VAL HG2 . 15007 1 407 . 1 1 43 43 VAL HG22 H 1 0.83 0.05 . 2 . . . . 43 VAL HG2 . 15007 1 408 . 1 1 43 43 VAL HG23 H 1 0.83 0.05 . 2 . . . . 43 VAL HG2 . 15007 1 409 . 1 1 43 43 VAL CA C 13 58 0.2 . 1 . . . . 43 VAL CA . 15007 1 410 . 1 1 43 43 VAL CB C 13 32.5 0.2 . 1 . . . . 43 VAL CB . 15007 1 411 . 1 1 43 43 VAL CG1 C 13 21.2 0.2 . 2 . . . . 43 VAL CG1 . 15007 1 412 . 1 1 43 43 VAL CG2 C 13 19.1 0.2 . 2 . . . . 43 VAL CG2 . 15007 1 413 . 1 1 43 43 VAL N N 15 119.6 0.2 . 1 . . . . 43 VAL N . 15007 1 414 . 1 1 44 44 PRO HA H 1 3.91 0.05 . 1 . . . . 44 PRO HA . 15007 1 415 . 1 1 44 44 PRO HB2 H 1 2.11 0.05 . 2 . . . . 44 PRO HB2 . 15007 1 416 . 1 1 44 44 PRO HB3 H 1 1.69 0.05 . 2 . . . . 44 PRO HB3 . 15007 1 417 . 1 1 44 44 PRO HG2 H 1 1.9 0.05 . 1 . . . . 44 PRO HG2 . 15007 1 418 . 1 1 44 44 PRO HG3 H 1 1.9 0.05 . 1 . . . . 44 PRO HG3 . 15007 1 419 . 1 1 44 44 PRO HD2 H 1 4 0.05 . 2 . . . . 44 PRO HD2 . 15007 1 420 . 1 1 44 44 PRO HD3 H 1 3.7 0.05 . 2 . . . . 44 PRO HD3 . 15007 1 421 . 1 1 44 44 PRO C C 13 175.907 0.2 . 1 . . . . 44 PRO C . 15007 1 422 . 1 1 44 44 PRO CA C 13 64.4 0.2 . 1 . . . . 44 PRO CA . 15007 1 423 . 1 1 44 44 PRO CB C 13 32 0.2 . 1 . . . . 44 PRO CB . 15007 1 424 . 1 1 44 44 PRO CD C 13 50.6 0.2 . 1 . . . . 44 PRO CD . 15007 1 425 . 1 1 45 45 ALA H H 1 8.53 0.05 . 1 . . . . 45 ALA H . 15007 1 426 . 1 1 45 45 ALA HA H 1 4.46 0.05 . 1 . . . . 45 ALA HA . 15007 1 427 . 1 1 45 45 ALA HB1 H 1 0.96 0.05 . 1 . . . . 45 ALA HB . 15007 1 428 . 1 1 45 45 ALA HB2 H 1 0.96 0.05 . 1 . . . . 45 ALA HB . 15007 1 429 . 1 1 45 45 ALA HB3 H 1 0.96 0.05 . 1 . . . . 45 ALA HB . 15007 1 430 . 1 1 45 45 ALA C C 13 176.417 0.2 . 1 . . . . 45 ALA C . 15007 1 431 . 1 1 45 45 ALA CA C 13 50.6 0.2 . 1 . . . . 45 ALA CA . 15007 1 432 . 1 1 45 45 ALA CB C 13 21.2 0.2 . 1 . . . . 45 ALA CB . 15007 1 433 . 1 1 45 45 ALA N N 15 127.3 0.2 . 1 . . . . 45 ALA N . 15007 1 434 . 1 1 46 46 SER H H 1 8.49 0.05 . 1 . . . . 46 SER H . 15007 1 435 . 1 1 46 46 SER HA H 1 4.49 0.05 . 1 . . . . 46 SER HA . 15007 1 436 . 1 1 46 46 SER HB2 H 1 3.7 0.05 . 1 . . . . 46 SER HB2 . 15007 1 437 . 1 1 46 46 SER HB3 H 1 3.7 0.05 . 1 . . . . 46 SER HB3 . 15007 1 438 . 1 1 46 46 SER C C 13 173.525 0.2 . 1 . . . . 46 SER C . 15007 1 439 . 1 1 46 46 SER CA C 13 57.6 0.2 . 1 . . . . 46 SER CA . 15007 1 440 . 1 1 46 46 SER CB C 13 64.4 0.2 . 1 . . . . 46 SER CB . 15007 1 441 . 1 1 46 46 SER N N 15 116.5 0.2 . 1 . . . . 46 SER N . 15007 1 442 . 1 1 47 47 ASN H H 1 8.76 0.05 . 1 . . . . 47 ASN H . 15007 1 443 . 1 1 47 47 ASN HA H 1 4.39 0.05 . 1 . . . . 47 ASN HA . 15007 1 444 . 1 1 47 47 ASN HB2 H 1 2.67 0.05 . 2 . . . . 47 ASN HB2 . 15007 1 445 . 1 1 47 47 ASN HB3 H 1 2.81 0.05 . 2 . . . . 47 ASN HB3 . 15007 1 446 . 1 1 47 47 ASN HD21 H 1 7.56 0.05 . 1 . . . . 47 ASN HD21 . 15007 1 447 . 1 1 47 47 ASN HD22 H 1 6.83 0.05 . 1 . . . . 47 ASN HD22 . 15007 1 448 . 1 1 47 47 ASN C C 13 173.984 0.2 . 1 . . . . 47 ASN C . 15007 1 449 . 1 1 47 47 ASN CA C 13 53.9 0.2 . 1 . . . . 47 ASN CA . 15007 1 450 . 1 1 47 47 ASN CB C 13 37.7 0.2 . 1 . . . . 47 ASN CB . 15007 1 451 . 1 1 47 47 ASN N N 15 119.6 0.2 . 1 . . . . 47 ASN N . 15007 1 452 . 1 1 47 47 ASN ND2 N 15 113.6 0.2 . 1 . . . . 47 ASN ND2 . 15007 1 453 . 1 1 48 48 VAL H H 1 7.93 0.05 . 1 . . . . 48 VAL H . 15007 1 454 . 1 1 48 48 VAL HA H 1 3.91 0.05 . 1 . . . . 48 VAL HA . 15007 1 455 . 1 1 48 48 VAL HB H 1 1.82 0.05 . 1 . . . . 48 VAL HB . 15007 1 456 . 1 1 48 48 VAL HG11 H 1 0.71 0.05 . 2 . . . . 48 VAL HG1 . 15007 1 457 . 1 1 48 48 VAL HG12 H 1 0.71 0.05 . 2 . . . . 48 VAL HG1 . 15007 1 458 . 1 1 48 48 VAL HG13 H 1 0.71 0.05 . 2 . . . . 48 VAL HG1 . 15007 1 459 . 1 1 48 48 VAL HG21 H 1 0.86 0.05 . 2 . . . . 48 VAL HG2 . 15007 1 460 . 1 1 48 48 VAL HG22 H 1 0.86 0.05 . 2 . . . . 48 VAL HG2 . 15007 1 461 . 1 1 48 48 VAL HG23 H 1 0.86 0.05 . 2 . . . . 48 VAL HG2 . 15007 1 462 . 1 1 48 48 VAL C C 13 176.298 0.2 . 1 . . . . 48 VAL C . 15007 1 463 . 1 1 48 48 VAL CA C 13 63.3 0.2 . 1 . . . . 48 VAL CA . 15007 1 464 . 1 1 48 48 VAL CB C 13 32.7 0.2 . 1 . . . . 48 VAL CB . 15007 1 465 . 1 1 48 48 VAL CG1 C 13 22.3 0.2 . 2 . . . . 48 VAL CG1 . 15007 1 466 . 1 1 48 48 VAL CG2 C 13 21.8 0.2 . 2 . . . . 48 VAL CG2 . 15007 1 467 . 1 1 48 48 VAL N N 15 119.1 0.2 . 1 . . . . 48 VAL N . 15007 1 468 . 1 1 49 49 THR H H 1 8.71 0.05 . 1 . . . . 49 THR H . 15007 1 469 . 1 1 49 49 THR HA H 1 4.95 0.05 . 1 . . . . 49 THR HA . 15007 1 470 . 1 1 49 49 THR HB H 1 4.44 0.05 . 1 . . . . 49 THR HB . 15007 1 471 . 1 1 49 49 THR HG21 H 1 1.12 0.05 . 1 . . . . 49 THR HG2 . 15007 1 472 . 1 1 49 49 THR HG22 H 1 1.12 0.05 . 1 . . . . 49 THR HG2 . 15007 1 473 . 1 1 49 49 THR HG23 H 1 1.12 0.05 . 1 . . . . 49 THR HG2 . 15007 1 474 . 1 1 49 49 THR C C 13 175.532 0.2 . 1 . . . . 49 THR C . 15007 1 475 . 1 1 49 49 THR CA C 13 60 0.2 . 1 . . . . 49 THR CA . 15007 1 476 . 1 1 49 49 THR CB C 13 72.4 0.2 . 1 . . . . 49 THR CB . 15007 1 477 . 1 1 49 49 THR CG2 C 13 21.2 0.2 . 1 . . . . 49 THR CG2 . 15007 1 478 . 1 1 49 49 THR N N 15 117.1 0.2 . 1 . . . . 49 THR N . 15007 1 479 . 1 1 50 50 CYS H H 1 8.13 0.05 . 1 . . . . 50 CYS H . 15007 1 480 . 1 1 50 50 CYS HA H 1 4.37 0.05 . 1 . . . . 50 CYS HA . 15007 1 481 . 1 1 50 50 CYS HB2 H 1 2.67 0.05 . 2 . . . . 50 CYS HB2 . 15007 1 482 . 1 1 50 50 CYS HB3 H 1 3.02 0.05 . 2 . . . . 50 CYS HB3 . 15007 1 483 . 1 1 50 50 CYS C C 13 175.396 0.2 . 1 . . . . 50 CYS C . 15007 1 484 . 1 1 50 50 CYS CA C 13 55.6 0.2 . 1 . . . . 50 CYS CA . 15007 1 485 . 1 1 50 50 CYS CB C 13 37 0.2 . 1 . . . . 50 CYS CB . 15007 1 486 . 1 1 50 50 CYS N N 15 116.6 0.2 . 1 . . . . 50 CYS N . 15007 1 487 . 1 1 51 51 LYS H H 1 7.81 0.05 . 1 . . . . 51 LYS H . 15007 1 488 . 1 1 51 51 LYS HA H 1 4.19 0.05 . 1 . . . . 51 LYS HA . 15007 1 489 . 1 1 51 51 LYS HB2 H 1 1.6 0.05 . 2 . . . . 51 LYS HB2 . 15007 1 490 . 1 1 51 51 LYS HB3 H 1 1.81 0.05 . 2 . . . . 51 LYS HB3 . 15007 1 491 . 1 1 51 51 LYS HG2 H 1 1.39 0.05 . 1 . . . . 51 LYS HG2 . 15007 1 492 . 1 1 51 51 LYS HG3 H 1 1.39 0.05 . 1 . . . . 51 LYS HG3 . 15007 1 493 . 1 1 51 51 LYS C C 13 176.298 0.2 . 1 . . . . 51 LYS C . 15007 1 494 . 1 1 51 51 LYS CA C 13 57.1 0.2 . 1 . . . . 51 LYS CA . 15007 1 495 . 1 1 51 51 LYS CB C 13 32.5 0.2 . 1 . . . . 51 LYS CB . 15007 1 496 . 1 1 51 51 LYS N N 15 117.1 0.2 . 1 . . . . 51 LYS N . 15007 1 497 . 1 1 52 52 ASP H H 1 7.49 0.05 . 1 . . . . 52 ASP H . 15007 1 498 . 1 1 52 52 ASP HA H 1 4.77 0.05 . 1 . . . . 52 ASP HA . 15007 1 499 . 1 1 52 52 ASP HB2 H 1 2.9 0.05 . 2 . . . . 52 ASP HB2 . 15007 1 500 . 1 1 52 52 ASP HB3 H 1 2.58 0.05 . 2 . . . . 52 ASP HB3 . 15007 1 501 . 1 1 52 52 ASP C C 13 175.617 0.2 . 1 . . . . 52 ASP C . 15007 1 502 . 1 1 52 52 ASP CA C 13 53.1 0.2 . 1 . . . . 52 ASP CA . 15007 1 503 . 1 1 52 52 ASP CB C 13 41.1 0.2 . 1 . . . . 52 ASP CB . 15007 1 504 . 1 1 52 52 ASP N N 15 119.1 0.2 . 1 . . . . 52 ASP N . 15007 1 505 . 1 1 53 53 ASN H H 1 9.18 0.05 . 1 . . . . 53 ASN H . 15007 1 506 . 1 1 53 53 ASN HA H 1 4.32 0.05 . 1 . . . . 53 ASN HA . 15007 1 507 . 1 1 53 53 ASN HB2 H 1 2.43 0.05 . 2 . . . . 53 ASN HB2 . 15007 1 508 . 1 1 53 53 ASN HB3 H 1 3.05 0.05 . 2 . . . . 53 ASN HB3 . 15007 1 509 . 1 1 53 53 ASN CA C 13 54 0.2 . 1 . . . . 53 ASN CA . 15007 1 510 . 1 1 53 53 ASN CB C 13 37.6 0.2 . 1 . . . . 53 ASN CB . 15007 1 511 . 1 1 53 53 ASN N N 15 126.1 0.2 . 1 . . . . 53 ASN N . 15007 1 512 . 1 1 54 54 ASN H H 1 8.8 0.05 . 1 . . . . 54 ASN H . 15007 1 513 . 1 1 54 54 ASN HA H 1 4.7 0.05 . 1 . . . . 54 ASN HA . 15007 1 514 . 1 1 54 54 ASN HB2 H 1 2.16 0.05 . 2 . . . . 54 ASN HB2 . 15007 1 515 . 1 1 54 54 ASN HB3 H 1 3.29 0.05 . 2 . . . . 54 ASN HB3 . 15007 1 516 . 1 1 54 54 ASN HD21 H 1 6.88 0.05 . 1 . . . . 54 ASN HD21 . 15007 1 517 . 1 1 54 54 ASN HD22 H 1 6.3 0.05 . 1 . . . . 54 ASN HD22 . 15007 1 518 . 1 1 54 54 ASN C C 13 176.264 0.2 . 1 . . . . 54 ASN C . 15007 1 519 . 1 1 54 54 ASN CA C 13 53.9 0.2 . 1 . . . . 54 ASN CA . 15007 1 520 . 1 1 54 54 ASN CB C 13 39.4 0.2 . 1 . . . . 54 ASN CB . 15007 1 521 . 1 1 54 54 ASN N N 15 118.5 0.2 . 1 . . . . 54 ASN N . 15007 1 522 . 1 1 54 54 ASN ND2 N 15 112.2 0.2 . 1 . . . . 54 ASN ND2 . 15007 1 523 . 1 1 55 55 GLY H H 1 7.47 0.05 . 1 . . . . 55 GLY H . 15007 1 524 . 1 1 55 55 GLY HA2 H 1 4.15 0.05 . 2 . . . . 55 GLY HA2 . 15007 1 525 . 1 1 55 55 GLY HA3 H 1 3.4 0.05 . 2 . . . . 55 GLY HA3 . 15007 1 526 . 1 1 55 55 GLY C C 13 172.436 0.2 . 1 . . . . 55 GLY C . 15007 1 527 . 1 1 55 55 GLY CA C 13 46.3 0.2 . 1 . . . . 55 GLY CA . 15007 1 528 . 1 1 55 55 GLY N N 15 106.1 0.2 . 1 . . . . 55 GLY N . 15007 1 529 . 1 1 56 56 GLY H H 1 7.9 0.05 . 1 . . . . 56 GLY H . 15007 1 530 . 1 1 56 56 GLY HA2 H 1 4.44 0.05 . 2 . . . . 56 GLY HA2 . 15007 1 531 . 1 1 56 56 GLY HA3 H 1 3.46 0.05 . 2 . . . . 56 GLY HA3 . 15007 1 532 . 1 1 56 56 GLY C C 13 175.107 0.2 . 1 . . . . 56 GLY C . 15007 1 533 . 1 1 56 56 GLY CA C 13 44.5 0.2 . 1 . . . . 56 GLY CA . 15007 1 534 . 1 1 56 56 GLY N N 15 105.1 0.2 . 1 . . . . 56 GLY N . 15007 1 535 . 1 1 57 57 CYS H H 1 7.65 0.05 . 1 . . . . 57 CYS H . 15007 1 536 . 1 1 57 57 CYS HA H 1 4.2 0.05 . 1 . . . . 57 CYS HA . 15007 1 537 . 1 1 57 57 CYS HB2 H 1 3.03 0.05 . 2 . . . . 57 CYS HB2 . 15007 1 538 . 1 1 57 57 CYS HB3 H 1 2.67 0.05 . 2 . . . . 57 CYS HB3 . 15007 1 539 . 1 1 57 57 CYS C C 13 174.035 0.2 . 1 . . . . 57 CYS C . 15007 1 540 . 1 1 57 57 CYS CA C 13 52.9 0.2 . 1 . . . . 57 CYS CA . 15007 1 541 . 1 1 57 57 CYS CB C 13 36.8 0.2 . 1 . . . . 57 CYS CB . 15007 1 542 . 1 1 57 57 CYS N N 15 118.4 0.2 . 1 . . . . 57 CYS N . 15007 1 543 . 1 1 58 58 ALA H H 1 8.56 0.05 . 1 . . . . 58 ALA H . 15007 1 544 . 1 1 58 58 ALA HA H 1 4.12 0.05 . 1 . . . . 58 ALA HA . 15007 1 545 . 1 1 58 58 ALA HB1 H 1 1.08 0.05 . 1 . . . . 58 ALA HB . 15007 1 546 . 1 1 58 58 ALA HB2 H 1 1.08 0.05 . 1 . . . . 58 ALA HB . 15007 1 547 . 1 1 58 58 ALA HB3 H 1 1.08 0.05 . 1 . . . . 58 ALA HB . 15007 1 548 . 1 1 58 58 ALA CA C 13 51.2 0.2 . 1 . . . . 58 ALA CA . 15007 1 549 . 1 1 58 58 ALA CB C 13 18 0.2 . 1 . . . . 58 ALA CB . 15007 1 550 . 1 1 58 58 ALA N N 15 124.7 0.2 . 1 . . . . 58 ALA N . 15007 1 551 . 1 1 59 59 PRO HA H 1 4.1 0.05 . 1 . . . . 59 PRO HA . 15007 1 552 . 1 1 59 59 PRO HB2 H 1 2.28 0.05 . 2 . . . . 59 PRO HB2 . 15007 1 553 . 1 1 59 59 PRO HB3 H 1 1.77 0.05 . 2 . . . . 59 PRO HB3 . 15007 1 554 . 1 1 59 59 PRO HG2 H 1 2.06 0.05 . 2 . . . . 59 PRO HG2 . 15007 1 555 . 1 1 59 59 PRO HG3 H 1 1.96 0.05 . 2 . . . . 59 PRO HG3 . 15007 1 556 . 1 1 59 59 PRO HD2 H 1 3.62 0.05 . 1 . . . . 59 PRO HD2 . 15007 1 557 . 1 1 59 59 PRO HD3 H 1 3.62 0.05 . 1 . . . . 59 PRO HD3 . 15007 1 558 . 1 1 59 59 PRO C C 13 177.903 0.2 . 1 . . . . 59 PRO C . 15007 1 559 . 1 1 59 59 PRO CA C 13 65.4 0.2 . 1 . . . . 59 PRO CA . 15007 1 560 . 1 1 59 59 PRO CB C 13 31.7 0.2 . 1 . . . . 59 PRO CB . 15007 1 561 . 1 1 59 59 PRO CG C 13 27.3 0.2 . 1 . . . . 59 PRO CG . 15007 1 562 . 1 1 59 59 PRO CD C 13 50.3 0.2 . 1 . . . . 59 PRO CD . 15007 1 563 . 1 1 60 60 GLU H H 1 9.22 0.05 . 1 . . . . 60 GLU H . 15007 1 564 . 1 1 60 60 GLU HA H 1 4.3 0.05 . 1 . . . . 60 GLU HA . 15007 1 565 . 1 1 60 60 GLU HB2 H 1 2.1 0.05 . 2 . . . . 60 GLU HB2 . 15007 1 566 . 1 1 60 60 GLU HB3 H 1 2.21 0.05 . 2 . . . . 60 GLU HB3 . 15007 1 567 . 1 1 60 60 GLU C C 13 175.617 0.2 . 1 . . . . 60 GLU C . 15007 1 568 . 1 1 60 60 GLU CA C 13 56.1 0.2 . 1 . . . . 60 GLU CA . 15007 1 569 . 1 1 60 60 GLU CB C 13 27.8 0.2 . 1 . . . . 60 GLU CB . 15007 1 570 . 1 1 60 60 GLU N N 15 113.3 0.2 . 1 . . . . 60 GLU N . 15007 1 571 . 1 1 61 61 ALA H H 1 8.18 0.05 . 1 . . . . 61 ALA H . 15007 1 572 . 1 1 61 61 ALA HA H 1 4.89 0.05 . 1 . . . . 61 ALA HA . 15007 1 573 . 1 1 61 61 ALA HB1 H 1 1.25 0.05 . 1 . . . . 61 ALA HB . 15007 1 574 . 1 1 61 61 ALA HB2 H 1 1.25 0.05 . 1 . . . . 61 ALA HB . 15007 1 575 . 1 1 61 61 ALA HB3 H 1 1.25 0.05 . 1 . . . . 61 ALA HB . 15007 1 576 . 1 1 61 61 ALA C C 13 176.807 0.2 . 1 . . . . 61 ALA C . 15007 1 577 . 1 1 61 61 ALA CA C 13 50.6 0.2 . 1 . . . . 61 ALA CA . 15007 1 578 . 1 1 61 61 ALA CB C 13 20.6 0.2 . 1 . . . . 61 ALA CB . 15007 1 579 . 1 1 61 61 ALA N N 15 125.3 0.2 . 1 . . . . 61 ALA N . 15007 1 580 . 1 1 62 62 GLU H H 1 9.18 0.05 . 1 . . . . 62 GLU H . 15007 1 581 . 1 1 62 62 GLU HA H 1 4.47 0.05 . 1 . . . . 62 GLU HA . 15007 1 582 . 1 1 62 62 GLU HB2 H 1 1.85 0.05 . 2 . . . . 62 GLU HB2 . 15007 1 583 . 1 1 62 62 GLU HB3 H 1 1.91 0.05 . 2 . . . . 62 GLU HB3 . 15007 1 584 . 1 1 62 62 GLU HG2 H 1 2.22 0.05 . 2 . . . . 62 GLU HG2 . 15007 1 585 . 1 1 62 62 GLU HG3 H 1 2.04 0.05 . 2 . . . . 62 GLU HG3 . 15007 1 586 . 1 1 62 62 GLU C C 13 175.175 0.2 . 1 . . . . 62 GLU C . 15007 1 587 . 1 1 62 62 GLU CA C 13 55.1 0.2 . 1 . . . . 62 GLU CA . 15007 1 588 . 1 1 62 62 GLU CB C 13 31.8 0.2 . 1 . . . . 62 GLU CB . 15007 1 589 . 1 1 62 62 GLU CG C 13 36.6 0.2 . 1 . . . . 62 GLU CG . 15007 1 590 . 1 1 62 62 GLU N N 15 121 0.2 . 1 . . . . 62 GLU N . 15007 1 591 . 1 1 63 63 CYS H H 1 8.86 0.05 . 1 . . . . 63 CYS H . 15007 1 592 . 1 1 63 63 CYS HA H 1 5.07 0.05 . 1 . . . . 63 CYS HA . 15007 1 593 . 1 1 63 63 CYS HB2 H 1 2.41 0.05 . 2 . . . . 63 CYS HB2 . 15007 1 594 . 1 1 63 63 CYS HB3 H 1 2.66 0.05 . 2 . . . . 63 CYS HB3 . 15007 1 595 . 1 1 63 63 CYS C C 13 173.712 0.2 . 1 . . . . 63 CYS C . 15007 1 596 . 1 1 63 63 CYS CA C 13 55.9 0.2 . 1 . . . . 63 CYS CA . 15007 1 597 . 1 1 63 63 CYS CB C 13 37.4 0.2 . 1 . . . . 63 CYS CB . 15007 1 598 . 1 1 63 63 CYS N N 15 128.1 0.2 . 1 . . . . 63 CYS N . 15007 1 599 . 1 1 64 64 LYS H H 1 9.14 0.05 . 1 . . . . 64 LYS H . 15007 1 600 . 1 1 64 64 LYS HA H 1 4.48 0.05 . 1 . . . . 64 LYS HA . 15007 1 601 . 1 1 64 64 LYS HB2 H 1 1.59 0.05 . 2 . . . . 64 LYS HB2 . 15007 1 602 . 1 1 64 64 LYS HB3 H 1 1.7 0.05 . 2 . . . . 64 LYS HB3 . 15007 1 603 . 1 1 64 64 LYS HG2 H 1 1.29 0.05 . 2 . . . . 64 LYS HG2 . 15007 1 604 . 1 1 64 64 LYS C C 13 173.406 0.2 . 1 . . . . 64 LYS C . 15007 1 605 . 1 1 64 64 LYS CA C 13 55.8 0.2 . 1 . . . . 64 LYS CA . 15007 1 606 . 1 1 64 64 LYS CB C 13 36.2 0.2 . 1 . . . . 64 LYS CB . 15007 1 607 . 1 1 64 64 LYS CG C 13 25.1 0.2 . 1 . . . . 64 LYS CG . 15007 1 608 . 1 1 64 64 LYS N N 15 131.1 0.2 . 1 . . . . 64 LYS N . 15007 1 609 . 1 1 65 65 MET H H 1 8.36 0.05 . 1 . . . . 65 MET H . 15007 1 610 . 1 1 65 65 MET HA H 1 5.39 0.05 . 1 . . . . 65 MET HA . 15007 1 611 . 1 1 65 65 MET HB2 H 1 1.8 0.05 . 2 . . . . 65 MET HB2 . 15007 1 612 . 1 1 65 65 MET HB3 H 1 2 0.05 . 2 . . . . 65 MET HB3 . 15007 1 613 . 1 1 65 65 MET HG2 H 1 2.44 0.05 . 1 . . . . 65 MET HG2 . 15007 1 614 . 1 1 65 65 MET HG3 H 1 2.44 0.05 . 1 . . . . 65 MET HG3 . 15007 1 615 . 1 1 65 65 MET HE1 H 1 2 0.05 . 1 . . . . 65 MET HE . 15007 1 616 . 1 1 65 65 MET HE2 H 1 2 0.05 . 1 . . . . 65 MET HE . 15007 1 617 . 1 1 65 65 MET HE3 H 1 2 0.05 . 1 . . . . 65 MET HE . 15007 1 618 . 1 1 65 65 MET C C 13 177.454 0.2 . 1 . . . . 65 MET C . 15007 1 619 . 1 1 65 65 MET CA C 13 53.9 0.2 . 1 . . . . 65 MET CA . 15007 1 620 . 1 1 65 65 MET CB C 13 35 0.2 . 1 . . . . 65 MET CB . 15007 1 621 . 1 1 65 65 MET CG C 13 32.2 0.2 . 1 . . . . 65 MET CG . 15007 1 622 . 1 1 65 65 MET CE C 13 16.5 0.2 . 1 . . . . 65 MET CE . 15007 1 623 . 1 1 65 65 MET N N 15 120.1 0.2 . 1 . . . . 65 MET N . 15007 1 624 . 1 1 66 66 THR H H 1 9 0.05 . 1 . . . . 66 THR H . 15007 1 625 . 1 1 66 66 THR HA H 1 4.55 0.05 . 1 . . . . 66 THR HA . 15007 1 626 . 1 1 66 66 THR HB H 1 4.44 0.05 . 1 . . . . 66 THR HB . 15007 1 627 . 1 1 66 66 THR HG21 H 1 1.17 0.05 . 1 . . . . 66 THR HG2 . 15007 1 628 . 1 1 66 66 THR HG22 H 1 1.17 0.05 . 1 . . . . 66 THR HG2 . 15007 1 629 . 1 1 66 66 THR HG23 H 1 1.17 0.05 . 1 . . . . 66 THR HG2 . 15007 1 630 . 1 1 66 66 THR C C 13 175.838 0.2 . 1 . . . . 66 THR C . 15007 1 631 . 1 1 66 66 THR CA C 13 60.35 0.2 . 1 . . . . 66 THR CA . 15007 1 632 . 1 1 66 66 THR CB C 13 71.3 0.2 . 1 . . . . 66 THR CB . 15007 1 633 . 1 1 66 66 THR CG2 C 13 21.8 0.2 . 1 . . . . 66 THR CG2 . 15007 1 634 . 1 1 66 66 THR N N 15 115.9 0.2 . 1 . . . . 66 THR N . 15007 1 635 . 1 1 67 67 ASP H H 1 8.84 0.05 . 1 . . . . 67 ASP H . 15007 1 636 . 1 1 67 67 ASP HA H 1 4.42 0.05 . 1 . . . . 67 ASP HA . 15007 1 637 . 1 1 67 67 ASP HB2 H 1 2.67 0.05 . 2 . . . . 67 ASP HB2 . 15007 1 638 . 1 1 67 67 ASP HB3 H 1 2.77 0.05 . 2 . . . . 67 ASP HB3 . 15007 1 639 . 1 1 67 67 ASP C C 13 176.485 0.2 . 1 . . . . 67 ASP C . 15007 1 640 . 1 1 67 67 ASP CA C 13 56 0.2 . 1 . . . . 67 ASP CA . 15007 1 641 . 1 1 67 67 ASP CB C 13 40.4 0.2 . 1 . . . . 67 ASP CB . 15007 1 642 . 1 1 67 67 ASP N N 15 120.1 0.2 . 1 . . . . 67 ASP N . 15007 1 643 . 1 1 68 68 SER H H 1 7.95 0.05 . 1 . . . . 68 SER H . 15007 1 644 . 1 1 68 68 SER HA H 1 4.42 0.05 . 1 . . . . 68 SER HA . 15007 1 645 . 1 1 68 68 SER HB2 H 1 3.87 0.05 . 2 . . . . 68 SER HB2 . 15007 1 646 . 1 1 68 68 SER HB3 H 1 3.91 0.05 . 2 . . . . 68 SER HB3 . 15007 1 647 . 1 1 68 68 SER C C 13 173.78 0.2 . 1 . . . . 68 SER C . 15007 1 648 . 1 1 68 68 SER CA C 13 57.8 0.2 . 1 . . . . 68 SER CA . 15007 1 649 . 1 1 68 68 SER CB C 13 62.7 0.2 . 1 . . . . 68 SER CB . 15007 1 650 . 1 1 68 68 SER N N 15 112.9 0.2 . 1 . . . . 68 SER N . 15007 1 651 . 1 1 69 69 ASN H H 1 8.28 0.05 . 1 . . . . 69 ASN H . 15007 1 652 . 1 1 69 69 ASN HA H 1 4.28 0.05 . 1 . . . . 69 ASN HA . 15007 1 653 . 1 1 69 69 ASN HB2 H 1 2.92 0.05 . 2 . . . . 69 ASN HB2 . 15007 1 654 . 1 1 69 69 ASN HB3 H 1 3.02 0.05 . 2 . . . . 69 ASN HB3 . 15007 1 655 . 1 1 69 69 ASN HD21 H 1 7.42 0.05 . 1 . . . . 69 ASN HD21 . 15007 1 656 . 1 1 69 69 ASN HD22 H 1 6.77 0.05 . 1 . . . . 69 ASN HD22 . 15007 1 657 . 1 1 69 69 ASN C C 13 173.389 0.2 . 1 . . . . 69 ASN C . 15007 1 658 . 1 1 69 69 ASN CA C 13 54.7 0.2 . 1 . . . . 69 ASN CA . 15007 1 659 . 1 1 69 69 ASN CB C 13 36.8 0.2 . 1 . . . . 69 ASN CB . 15007 1 660 . 1 1 69 69 ASN N N 15 115.9 0.2 . 1 . . . . 69 ASN N . 15007 1 661 . 1 1 69 69 ASN ND2 N 15 112.6 0.2 . 1 . . . . 69 ASN ND2 . 15007 1 662 . 1 1 70 70 LYS H H 1 7.41 0.05 . 1 . . . . 70 LYS H . 15007 1 663 . 1 1 70 70 LYS HA H 1 4.45 0.05 . 1 . . . . 70 LYS HA . 15007 1 664 . 1 1 70 70 LYS HB2 H 1 1.52 0.05 . 2 . . . . 70 LYS HB2 . 15007 1 665 . 1 1 70 70 LYS HB3 H 1 1.72 0.05 . 2 . . . . 70 LYS HB3 . 15007 1 666 . 1 1 70 70 LYS HG2 H 1 1.19 0.05 . 2 . . . . 70 LYS HG2 . 15007 1 667 . 1 1 70 70 LYS HG3 H 1 1.3 0.05 . 2 . . . . 70 LYS HG3 . 15007 1 668 . 1 1 70 70 LYS HE2 H 1 2.92 0.05 . 1 . . . . 70 LYS HE2 . 15007 1 669 . 1 1 70 70 LYS HE3 H 1 2.92 0.05 . 1 . . . . 70 LYS HE3 . 15007 1 670 . 1 1 70 70 LYS C C 13 175.498 0.2 . 1 . . . . 70 LYS C . 15007 1 671 . 1 1 70 70 LYS CA C 13 54.8 0.2 . 1 . . . . 70 LYS CA . 15007 1 672 . 1 1 70 70 LYS CB C 13 33.8 0.2 . 1 . . . . 70 LYS CB . 15007 1 673 . 1 1 70 70 LYS CG C 13 25.1 0.2 . 1 . . . . 70 LYS CG . 15007 1 674 . 1 1 70 70 LYS N N 15 118.5 0.2 . 1 . . . . 70 LYS N . 15007 1 675 . 1 1 71 71 ILE H H 1 8.23 0.05 . 1 . . . . 71 ILE H . 15007 1 676 . 1 1 71 71 ILE HA H 1 4.44 0.05 . 1 . . . . 71 ILE HA . 15007 1 677 . 1 1 71 71 ILE HB H 1 1.82 0.05 . 1 . . . . 71 ILE HB . 15007 1 678 . 1 1 71 71 ILE HG12 H 1 1.4 0.05 . 1 . . . . 71 ILE HG12 . 15007 1 679 . 1 1 71 71 ILE HG13 H 1 1.4 0.05 . 1 . . . . 71 ILE HG13 . 15007 1 680 . 1 1 71 71 ILE HG21 H 1 0.88 0.05 . 1 . . . . 71 ILE HG2 . 15007 1 681 . 1 1 71 71 ILE HG22 H 1 0.88 0.05 . 1 . . . . 71 ILE HG2 . 15007 1 682 . 1 1 71 71 ILE HG23 H 1 0.88 0.05 . 1 . . . . 71 ILE HG2 . 15007 1 683 . 1 1 71 71 ILE HD11 H 1 0.52 0.05 . 1 . . . . 71 ILE HD1 . 15007 1 684 . 1 1 71 71 ILE HD12 H 1 0.52 0.05 . 1 . . . . 71 ILE HD1 . 15007 1 685 . 1 1 71 71 ILE HD13 H 1 0.52 0.05 . 1 . . . . 71 ILE HD1 . 15007 1 686 . 1 1 71 71 ILE C C 13 176.009 0.2 . 1 . . . . 71 ILE C . 15007 1 687 . 1 1 71 71 ILE CA C 13 59.6 0.2 . 1 . . . . 71 ILE CA . 15007 1 688 . 1 1 71 71 ILE CB C 13 37.8 0.2 . 1 . . . . 71 ILE CB . 15007 1 689 . 1 1 71 71 ILE CG1 C 13 26.7 0.2 . 1 . . . . 71 ILE CG1 . 15007 1 690 . 1 1 71 71 ILE CG2 C 13 17.9 0.2 . 1 . . . . 71 ILE CG2 . 15007 1 691 . 1 1 71 71 ILE CD1 C 13 10.85 0.2 . 1 . . . . 71 ILE CD1 . 15007 1 692 . 1 1 71 71 ILE N N 15 125.4 0.2 . 1 . . . . 71 ILE N . 15007 1 693 . 1 1 72 72 VAL H H 1 8.92 0.05 . 1 . . . . 72 VAL H . 15007 1 694 . 1 1 72 72 VAL HA H 1 4.22 0.05 . 1 . . . . 72 VAL HA . 15007 1 695 . 1 1 72 72 VAL HB H 1 1.78 0.05 . 1 . . . . 72 VAL HB . 15007 1 696 . 1 1 72 72 VAL HG11 H 1 0.78 0.05 . 2 . . . . 72 VAL HG1 . 15007 1 697 . 1 1 72 72 VAL HG12 H 1 0.78 0.05 . 2 . . . . 72 VAL HG1 . 15007 1 698 . 1 1 72 72 VAL HG13 H 1 0.78 0.05 . 2 . . . . 72 VAL HG1 . 15007 1 699 . 1 1 72 72 VAL HG21 H 1 0.78 0.05 . 2 . . . . 72 VAL HG2 . 15007 1 700 . 1 1 72 72 VAL HG22 H 1 0.78 0.05 . 2 . . . . 72 VAL HG2 . 15007 1 701 . 1 1 72 72 VAL HG23 H 1 0.78 0.05 . 2 . . . . 72 VAL HG2 . 15007 1 702 . 1 1 72 72 VAL C C 13 174.069 0.2 . 1 . . . . 72 VAL C . 15007 1 703 . 1 1 72 72 VAL CA C 13 60.9 0.2 . 1 . . . . 72 VAL CA . 15007 1 704 . 1 1 72 72 VAL CB C 13 35 0.2 . 1 . . . . 72 VAL CB . 15007 1 705 . 1 1 72 72 VAL CG1 C 13 20.7 0.2 . 1 . . . . 72 VAL CG1 . 15007 1 706 . 1 1 72 72 VAL CG2 C 13 20.7 0.2 . 1 . . . . 72 VAL CG2 . 15007 1 707 . 1 1 72 72 VAL N N 15 126.4 0.2 . 1 . . . . 72 VAL N . 15007 1 708 . 1 1 73 73 CYS H H 1 8.68 0.05 . 1 . . . . 73 CYS H . 15007 1 709 . 1 1 73 73 CYS HA H 1 5.45 0.05 . 1 . . . . 73 CYS HA . 15007 1 710 . 1 1 73 73 CYS HB2 H 1 2.66 0.05 . 2 . . . . 73 CYS HB2 . 15007 1 711 . 1 1 73 73 CYS HB3 H 1 0.2 0.05 . 2 . . . . 73 CYS HB3 . 15007 1 712 . 1 1 73 73 CYS C C 13 174.954 0.2 . 1 . . . . 73 CYS C . 15007 1 713 . 1 1 73 73 CYS CA C 13 51.9 0.2 . 1 . . . . 73 CYS CA . 15007 1 714 . 1 1 73 73 CYS CB C 13 40 0.2 . 1 . . . . 73 CYS CB . 15007 1 715 . 1 1 73 73 CYS N N 15 123.6 0.2 . 1 . . . . 73 CYS N . 15007 1 716 . 1 1 74 74 LYS H H 1 8.86 0.05 . 1 . . . . 74 LYS H . 15007 1 717 . 1 1 74 74 LYS HA H 1 4.65 0.05 . 1 . . . . 74 LYS HA . 15007 1 718 . 1 1 74 74 LYS HB2 H 1 1.58 0.05 . 2 . . . . 74 LYS HB2 . 15007 1 719 . 1 1 74 74 LYS HB3 H 1 1.73 0.05 . 2 . . . . 74 LYS HB3 . 15007 1 720 . 1 1 74 74 LYS HG2 H 1 1.13 0.05 . 2 . . . . 74 LYS HG2 . 15007 1 721 . 1 1 74 74 LYS HG3 H 1 1.33 0.05 . 2 . . . . 74 LYS HG3 . 15007 1 722 . 1 1 74 74 LYS HE2 H 1 2.84 0.05 . 1 . . . . 74 LYS HE2 . 15007 1 723 . 1 1 74 74 LYS HE3 H 1 2.84 0.05 . 1 . . . . 74 LYS HE3 . 15007 1 724 . 1 1 74 74 LYS C C 13 175.651 0.2 . 1 . . . . 74 LYS C . 15007 1 725 . 1 1 74 74 LYS CA C 13 54.5 0.2 . 1 . . . . 74 LYS CA . 15007 1 726 . 1 1 74 74 LYS CB C 13 35.4 0.2 . 1 . . . . 74 LYS CB . 15007 1 727 . 1 1 74 74 LYS N N 15 122.9 0.2 . 1 . . . . 74 LYS N . 15007 1 728 . 1 1 75 75 CYS H H 1 9.39 0.05 . 1 . . . . 75 CYS H . 15007 1 729 . 1 1 75 75 CYS HA H 1 4.51 0.05 . 1 . . . . 75 CYS HA . 15007 1 730 . 1 1 75 75 CYS HB2 H 1 2.55 0.05 . 2 . . . . 75 CYS HB2 . 15007 1 731 . 1 1 75 75 CYS HB3 H 1 3.07 0.05 . 2 . . . . 75 CYS HB3 . 15007 1 732 . 1 1 75 75 CYS C C 13 175.26 0.2 . 1 . . . . 75 CYS C . 15007 1 733 . 1 1 75 75 CYS CA C 13 56.3 0.2 . 1 . . . . 75 CYS CA . 15007 1 734 . 1 1 75 75 CYS CB C 13 39.5 0.2 . 1 . . . . 75 CYS CB . 15007 1 735 . 1 1 75 75 CYS N N 15 128 0.2 . 1 . . . . 75 CYS N . 15007 1 736 . 1 1 76 76 THR H H 1 8.07 0.05 . 1 . . . . 76 THR H . 15007 1 737 . 1 1 76 76 THR HA H 1 3.81 0.05 . 1 . . . . 76 THR HA . 15007 1 738 . 1 1 76 76 THR HB H 1 4.09 0.05 . 1 . . . . 76 THR HB . 15007 1 739 . 1 1 76 76 THR HG21 H 1 1.25 0.05 . 1 . . . . 76 THR HG2 . 15007 1 740 . 1 1 76 76 THR HG22 H 1 1.25 0.05 . 1 . . . . 76 THR HG2 . 15007 1 741 . 1 1 76 76 THR HG23 H 1 1.25 0.05 . 1 . . . . 76 THR HG2 . 15007 1 742 . 1 1 76 76 THR C C 13 175.532 0.2 . 1 . . . . 76 THR C . 15007 1 743 . 1 1 76 76 THR CA C 13 63.3 0.2 . 1 . . . . 76 THR CA . 15007 1 744 . 1 1 76 76 THR CB C 13 69.4 0.2 . 1 . . . . 76 THR CB . 15007 1 745 . 1 1 76 76 THR CG2 C 13 21.2 0.2 . 1 . . . . 76 THR CG2 . 15007 1 746 . 1 1 76 76 THR N N 15 114.6 0.2 . 1 . . . . 76 THR N . 15007 1 747 . 1 1 77 77 LYS H H 1 8.23 0.05 . 1 . . . . 77 LYS H . 15007 1 748 . 1 1 77 77 LYS HA H 1 4.17 0.05 . 1 . . . . 77 LYS HA . 15007 1 749 . 1 1 77 77 LYS HB2 H 1 1.68 0.05 . 1 . . . . 77 LYS HB2 . 15007 1 750 . 1 1 77 77 LYS HB3 H 1 1.68 0.05 . 1 . . . . 77 LYS HB3 . 15007 1 751 . 1 1 77 77 LYS HG2 H 1 1.41 0.05 . 2 . . . . 77 LYS HG2 . 15007 1 752 . 1 1 77 77 LYS HG3 H 1 1.49 0.05 . 2 . . . . 77 LYS HG3 . 15007 1 753 . 1 1 77 77 LYS HE2 H 1 2.95 0.05 . 1 . . . . 77 LYS HE2 . 15007 1 754 . 1 1 77 77 LYS HE3 H 1 2.95 0.05 . 1 . . . . 77 LYS HE3 . 15007 1 755 . 1 1 77 77 LYS CA C 13 56.8 0.2 . 1 . . . . 77 LYS CA . 15007 1 756 . 1 1 77 77 LYS CB C 13 32.6 0.2 . 1 . . . . 77 LYS CB . 15007 1 757 . 1 1 77 77 LYS CG C 13 25.1 0.2 . 1 . . . . 77 LYS CG . 15007 1 758 . 1 1 77 77 LYS N N 15 124.6 0.2 . 1 . . . . 77 LYS N . 15007 1 759 . 1 1 78 78 GLU H H 1 8.84 0.05 . 1 . . . . 78 GLU H . 15007 1 760 . 1 1 78 78 GLU HA H 1 3.98 0.05 . 1 . . . . 78 GLU HA . 15007 1 761 . 1 1 78 78 GLU HB2 H 1 1.85 0.05 . 2 . . . . 78 GLU HB2 . 15007 1 762 . 1 1 78 78 GLU HB3 H 1 1.97 0.05 . 2 . . . . 78 GLU HB3 . 15007 1 763 . 1 1 78 78 GLU HG2 H 1 2.2 0.05 . 1 . . . . 78 GLU HG2 . 15007 1 764 . 1 1 78 78 GLU HG3 H 1 2.2 0.05 . 1 . . . . 78 GLU HG3 . 15007 1 765 . 1 1 78 78 GLU C C 13 177.727 0.2 . 1 . . . . 78 GLU C . 15007 1 766 . 1 1 78 78 GLU CA C 13 58.3 0.2 . 1 . . . . 78 GLU CA . 15007 1 767 . 1 1 78 78 GLU CB C 13 29.4 0.2 . 1 . . . . 78 GLU CB . 15007 1 768 . 1 1 78 78 GLU CG C 13 35.5 0.2 . 1 . . . . 78 GLU CG . 15007 1 769 . 1 1 78 78 GLU N N 15 128 0.2 . 1 . . . . 78 GLU N . 15007 1 770 . 1 1 79 79 GLY H H 1 8.95 0.05 . 1 . . . . 79 GLY H . 15007 1 771 . 1 1 79 79 GLY HA2 H 1 4.13 0.05 . 2 . . . . 79 GLY HA2 . 15007 1 772 . 1 1 79 79 GLY HA3 H 1 3.63 0.05 . 2 . . . . 79 GLY HA3 . 15007 1 773 . 1 1 79 79 GLY C C 13 173.661 0.2 . 1 . . . . 79 GLY C . 15007 1 774 . 1 1 79 79 GLY CA C 13 45.4 0.2 . 1 . . . . 79 GLY CA . 15007 1 775 . 1 1 79 79 GLY N N 15 115.1 0.2 . 1 . . . . 79 GLY N . 15007 1 776 . 1 1 80 80 SER H H 1 7.69 0.05 . 1 . . . . 80 SER H . 15007 1 777 . 1 1 80 80 SER HA H 1 4.36 0.05 . 1 . . . . 80 SER HA . 15007 1 778 . 1 1 80 80 SER HB2 H 1 3.48 0.05 . 2 . . . . 80 SER HB2 . 15007 1 779 . 1 1 80 80 SER HB3 H 1 3.61 0.05 . 2 . . . . 80 SER HB3 . 15007 1 780 . 1 1 80 80 SER C C 13 174.018 0.2 . 1 . . . . 80 SER C . 15007 1 781 . 1 1 80 80 SER CA C 13 57.4 0.2 . 1 . . . . 80 SER CA . 15007 1 782 . 1 1 80 80 SER CB C 13 65.1 0.2 . 1 . . . . 80 SER CB . 15007 1 783 . 1 1 80 80 SER N N 15 115.9 0.2 . 1 . . . . 80 SER N . 15007 1 784 . 1 1 81 81 GLU H H 1 9.03 0.05 . 1 . . . . 81 GLU H . 15007 1 785 . 1 1 81 81 GLU HA H 1 4.88 0.05 . 1 . . . . 81 GLU HA . 15007 1 786 . 1 1 81 81 GLU HB2 H 1 1.93 0.05 . 2 . . . . 81 GLU HB2 . 15007 1 787 . 1 1 81 81 GLU HB3 H 1 1.74 0.05 . 2 . . . . 81 GLU HB3 . 15007 1 788 . 1 1 81 81 GLU HG2 H 1 2.04 0.05 . 2 . . . . 81 GLU HG2 . 15007 1 789 . 1 1 81 81 GLU HG3 H 1 2.17 0.05 . 2 . . . . 81 GLU HG3 . 15007 1 790 . 1 1 81 81 GLU CA C 13 52.4 0.2 . 1 . . . . 81 GLU CA . 15007 1 791 . 1 1 81 81 GLU CB C 13 31.7 0.2 . 1 . . . . 81 GLU CB . 15007 1 792 . 1 1 81 81 GLU CG C 13 35.5 0.2 . 1 . . . . 81 GLU CG . 15007 1 793 . 1 1 81 81 GLU N N 15 126.1 0.2 . 1 . . . . 81 GLU N . 15007 1 794 . 1 1 82 82 PRO HA H 1 4.9 0.05 . 1 . . . . 82 PRO HA . 15007 1 795 . 1 1 82 82 PRO HB2 H 1 2 0.05 . 2 . . . . 82 PRO HB2 . 15007 1 796 . 1 1 82 82 PRO HB3 H 1 1.63 0.05 . 2 . . . . 82 PRO HB3 . 15007 1 797 . 1 1 82 82 PRO C C 13 175.975 0.2 . 1 . . . . 82 PRO C . 15007 1 798 . 1 1 82 82 PRO CA C 13 62.8 0.2 . 1 . . . . 82 PRO CA . 15007 1 799 . 1 1 82 82 PRO CB C 13 31.7 0.2 . 1 . . . . 82 PRO CB . 15007 1 800 . 1 1 83 83 LEU H H 1 8.85 0.05 . 1 . . . . 83 LEU H . 15007 1 801 . 1 1 83 83 LEU HA H 1 4.45 0.05 . 1 . . . . 83 LEU HA . 15007 1 802 . 1 1 83 83 LEU HB2 H 1 1.22 0.05 . 2 . . . . 83 LEU HB2 . 15007 1 803 . 1 1 83 83 LEU HB3 H 1 1.52 0.05 . 2 . . . . 83 LEU HB3 . 15007 1 804 . 1 1 83 83 LEU HD11 H 1 0.6 0.05 . 2 . . . . 83 LEU HD1 . 15007 1 805 . 1 1 83 83 LEU HD12 H 1 0.6 0.05 . 2 . . . . 83 LEU HD1 . 15007 1 806 . 1 1 83 83 LEU HD13 H 1 0.6 0.05 . 2 . . . . 83 LEU HD1 . 15007 1 807 . 1 1 83 83 LEU HD21 H 1 0.7 0.05 . 2 . . . . 83 LEU HD2 . 15007 1 808 . 1 1 83 83 LEU HD22 H 1 0.7 0.05 . 2 . . . . 83 LEU HD2 . 15007 1 809 . 1 1 83 83 LEU HD23 H 1 0.7 0.05 . 2 . . . . 83 LEU HD2 . 15007 1 810 . 1 1 83 83 LEU C C 13 176.349 0.2 . 1 . . . . 83 LEU C . 15007 1 811 . 1 1 83 83 LEU CA C 13 53.2 0.2 . 1 . . . . 83 LEU CA . 15007 1 812 . 1 1 83 83 LEU CB C 13 44 0.2 . 1 . . . . 83 LEU CB . 15007 1 813 . 1 1 83 83 LEU CD1 C 13 25.6 0.2 . 2 . . . . 83 LEU CD1 . 15007 1 814 . 1 1 83 83 LEU CD2 C 13 23.4 0.2 . 2 . . . . 83 LEU CD2 . 15007 1 815 . 1 1 83 83 LEU N N 15 124.1 0.2 . 1 . . . . 83 LEU N . 15007 1 816 . 1 1 84 84 PHE H H 1 9.29 0.05 . 1 . . . . 84 PHE H . 15007 1 817 . 1 1 84 84 PHE HA H 1 4.25 0.05 . 1 . . . . 84 PHE HA . 15007 1 818 . 1 1 84 84 PHE HB2 H 1 3.29 0.05 . 2 . . . . 84 PHE HB2 . 15007 1 819 . 1 1 84 84 PHE HB3 H 1 3.09 0.05 . 2 . . . . 84 PHE HB3 . 15007 1 820 . 1 1 84 84 PHE C C 13 176.995 0.2 . 1 . . . . 84 PHE C . 15007 1 821 . 1 1 84 84 PHE CA C 13 58.6 0.2 . 1 . . . . 84 PHE CA . 15007 1 822 . 1 1 84 84 PHE CB C 13 35.9 0.2 . 1 . . . . 84 PHE CB . 15007 1 823 . 1 1 84 84 PHE N N 15 124.2 0.2 . 1 . . . . 84 PHE N . 15007 1 824 . 1 1 85 85 GLU H H 1 8.77 0.05 . 1 . . . . 85 GLU H . 15007 1 825 . 1 1 85 85 GLU HA H 1 3.81 0.05 . 1 . . . . 85 GLU HA . 15007 1 826 . 1 1 85 85 GLU HB2 H 1 2.29 0.05 . 2 . . . . 85 GLU HB2 . 15007 1 827 . 1 1 85 85 GLU HB3 H 1 2.49 0.05 . 2 . . . . 85 GLU HB3 . 15007 1 828 . 1 1 85 85 GLU HG2 H 1 2.13 0.05 . 2 . . . . 85 GLU HG2 . 15007 1 829 . 1 1 85 85 GLU HG3 H 1 2.21 0.05 . 2 . . . . 85 GLU HG3 . 15007 1 830 . 1 1 85 85 GLU C C 13 175.498 0.2 . 1 . . . . 85 GLU C . 15007 1 831 . 1 1 85 85 GLU CA C 13 57.6 0.2 . 1 . . . . 85 GLU CA . 15007 1 832 . 1 1 85 85 GLU CB C 13 27.8 0.2 . 1 . . . . 85 GLU CB . 15007 1 833 . 1 1 85 85 GLU CG C 13 37.1 0.2 . 1 . . . . 85 GLU CG . 15007 1 834 . 1 1 85 85 GLU N N 15 109.6 0.2 . 1 . . . . 85 GLU N . 15007 1 835 . 1 1 86 86 GLY H H 1 7.73 0.05 . 1 . . . . 86 GLY H . 15007 1 836 . 1 1 86 86 GLY HA2 H 1 4.05 0.05 . 2 . . . . 86 GLY HA2 . 15007 1 837 . 1 1 86 86 GLY HA3 H 1 3.35 0.05 . 2 . . . . 86 GLY HA3 . 15007 1 838 . 1 1 86 86 GLY C C 13 173.559 0.2 . 1 . . . . 86 GLY C . 15007 1 839 . 1 1 86 86 GLY CA C 13 45.2 0.2 . 1 . . . . 86 GLY CA . 15007 1 840 . 1 1 86 86 GLY N N 15 103.4 0.2 . 1 . . . . 86 GLY N . 15007 1 841 . 1 1 87 87 VAL H H 1 7.3 0.05 . 1 . . . . 87 VAL H . 15007 1 842 . 1 1 87 87 VAL HA H 1 3.72 0.05 . 1 . . . . 87 VAL HA . 15007 1 843 . 1 1 87 87 VAL HB H 1 2 0.05 . 1 . . . . 87 VAL HB . 15007 1 844 . 1 1 87 87 VAL HG11 H 1 1.22 0.05 . 2 . . . . 87 VAL HG1 . 15007 1 845 . 1 1 87 87 VAL HG12 H 1 1.22 0.05 . 2 . . . . 87 VAL HG1 . 15007 1 846 . 1 1 87 87 VAL HG13 H 1 1.22 0.05 . 2 . . . . 87 VAL HG1 . 15007 1 847 . 1 1 87 87 VAL HG21 H 1 0.68 0.05 . 2 . . . . 87 VAL HG2 . 15007 1 848 . 1 1 87 87 VAL HG22 H 1 0.68 0.05 . 2 . . . . 87 VAL HG2 . 15007 1 849 . 1 1 87 87 VAL HG23 H 1 0.68 0.05 . 2 . . . . 87 VAL HG2 . 15007 1 850 . 1 1 87 87 VAL C C 13 176.587 0.2 . 1 . . . . 87 VAL C . 15007 1 851 . 1 1 87 87 VAL CA C 13 65.6 0.2 . 1 . . . . 87 VAL CA . 15007 1 852 . 1 1 87 87 VAL CB C 13 33.6 0.2 . 1 . . . . 87 VAL CB . 15007 1 853 . 1 1 87 87 VAL CG1 C 13 24 0.2 . 2 . . . . 87 VAL CG1 . 15007 1 854 . 1 1 87 87 VAL CG2 C 13 22.3 0.2 . 2 . . . . 87 VAL CG2 . 15007 1 855 . 1 1 87 87 VAL N N 15 120.5 0.2 . 1 . . . . 87 VAL N . 15007 1 856 . 1 1 88 88 PHE H H 1 7.9 0.05 . 1 . . . . 88 PHE H . 15007 1 857 . 1 1 88 88 PHE HA H 1 4.65 0.05 . 1 . . . . 88 PHE HA . 15007 1 858 . 1 1 88 88 PHE HB2 H 1 2.54 0.05 . 2 . . . . 88 PHE HB2 . 15007 1 859 . 1 1 88 88 PHE HB3 H 1 2.42 0.05 . 2 . . . . 88 PHE HB3 . 15007 1 860 . 1 1 88 88 PHE C C 13 174.546 0.2 . 1 . . . . 88 PHE C . 15007 1 861 . 1 1 88 88 PHE CA C 13 57 0.2 . 1 . . . . 88 PHE CA . 15007 1 862 . 1 1 88 88 PHE CB C 13 43.8 0.2 . 1 . . . . 88 PHE CB . 15007 1 863 . 1 1 88 88 PHE N N 15 111.6 0.2 . 1 . . . . 88 PHE N . 15007 1 864 . 1 1 89 89 CYS H H 1 8.7 0.05 . 1 . . . . 89 CYS H . 15007 1 865 . 1 1 89 89 CYS HA H 1 5.14 0.05 . 1 . . . . 89 CYS HA . 15007 1 866 . 1 1 89 89 CYS HB2 H 1 3.27 0.05 . 2 . . . . 89 CYS HB2 . 15007 1 867 . 1 1 89 89 CYS HB3 H 1 2.65 0.05 . 2 . . . . 89 CYS HB3 . 15007 1 868 . 1 1 89 89 CYS C C 13 174.154 0.2 . 1 . . . . 89 CYS C . 15007 1 869 . 1 1 89 89 CYS CA C 13 53.8 0.2 . 1 . . . . 89 CYS CA . 15007 1 870 . 1 1 89 89 CYS CB C 13 42.3 0.2 . 1 . . . . 89 CYS CB . 15007 1 871 . 1 1 89 89 CYS N N 15 119.3 0.2 . 1 . . . . 89 CYS N . 15007 1 872 . 1 1 90 90 SER H H 1 9.142 0.05 . 1 . . . . 90 SER H . 15007 1 873 . 1 1 90 90 SER CA C 13 60.5 0.2 . 1 . . . . 90 SER CA . 15007 1 874 . 1 1 90 90 SER CB C 13 64.7 0.2 . 1 . . . . 90 SER CB . 15007 1 875 . 1 1 90 90 SER N N 15 125.4 0.2 . 1 . . . . 90 SER N . 15007 1 stop_ save_