data_17365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17365 _Entry.Title ; ASHH2 a CW domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-16 _Entry.Accession_date 2010-12-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The CW domain, a new histone recognition module in chromatin proteins.' _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 'Per Eugen' Kristiansen . . . 17365 2 Verena Hoppmann . . . 17365 3 Tage Thorstensen . . . 17365 4 Reidunn Aalen . B. . 17365 5 Rein Aasland . . . 17365 6 Kenneth Finne . . . 17365 7 Silje Veiseth . . . 17365 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17365 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CW-domain . 17365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 17365 '15N chemical shifts' 109 17365 '1H chemical shifts' 637 17365 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 2 . . 2011-05-23 2010-12-16 update BMRB 'update entry citation' 17365 1 . . 2011-05-02 2010-12-16 original author 'original release' 17365 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7P 'BMRB Entry Tracking System' 17365 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21522130 _Citation.Full_citation . _Citation.Title 'The CW domain, a new histone recognition module in chromatin proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 10 _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 1939 _Citation.Page_last 1952 _Citation.Year 2011 _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 Verena Hoppmann . . . 17365 1 2 Tage Thorstensen . . . 17365 1 3 'Per Eugen' Kristiansen . . . 17365 1 4 Silje Veiseth . V. . 17365 1 5 Mohummad Rahman . A. . 17365 1 6 Kenneth Finne . . . 17365 1 7 Reidunn Aalen . . . 17365 1 8 Rein Aasland . B. . 17365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17365 _Assembly.ID 1 _Assembly.Name 'ASHH2 a CW domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ASHH2 a CW domain' 1 $entity_1 A . yes native no no . . . 17365 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 17365 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'ASHH2 a CW domain' 1 CYS 31 31 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 17365 1 2 coordination single . 1 'ASHH2 a CW domain' 1 CYS 34 34 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 17365 1 3 coordination single . 1 'ASHH2 a CW domain' 1 CYS 56 56 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 17365 1 4 coordination single . 1 'ASHH2 a CW domain' 1 CYS 67 67 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 17365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSRRASVGSEFMVVDVTIED SYSTESAWVRCDDCFKWRRI PASVVGSIDESSRWICMNNS DKRFADCSKSQEMSNEEINE ELGIGQDEADAYDCDAAKRG ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11213.283 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L7P . "Ashh2 A Cw Domain" . . . . . 100.00 100 100.00 100.00 3.92e-64 . . . . 17365 1 2 no GB AAC34358 . "Hypothetical protein [Arabidopsis thaliana]" . . . . . 89.00 1767 100.00 100.00 4.48e-53 . . . . 17365 1 3 no GB ABC69038 . "SDG8 [Arabidopsis thaliana]" . . . . . 89.00 1759 100.00 100.00 4.16e-53 . . . . 17365 1 4 no GB ABV68921 . "SDG8 [Arabidopsis thaliana]" . . . . . 89.00 1805 100.00 100.00 3.70e-53 . . . . 17365 1 5 no GB AEE35960 . "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" . . . . . 89.00 1805 100.00 100.00 3.70e-53 . . . . 17365 1 6 no GB AEE35961 . "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" . . . . . 89.00 1501 100.00 100.00 4.40e-53 . . . . 17365 1 7 no REF NP_001077836 . "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" . . . . . 89.00 1501 100.00 100.00 4.40e-53 . . . . 17365 1 8 no REF NP_177854 . "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" . . . . . 89.00 1805 100.00 100.00 3.70e-53 . . . . 17365 1 9 no SP Q2LAE1 . "RecName: Full=Histone-lysine N-methyltransferase ASHH2; AltName: Full=ASH1 homolog 2; AltName: Full=H3-K4-HMTase; AltName: Full" . . . . . 89.00 1759 100.00 100.00 4.16e-53 . . . . 17365 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17365 1 2 . SER . 17365 1 3 . ARG . 17365 1 4 . ARG . 17365 1 5 . ALA . 17365 1 6 . SER . 17365 1 7 . VAL . 17365 1 8 . GLY . 17365 1 9 . SER . 17365 1 10 . GLU . 17365 1 11 . PHE . 17365 1 12 . MET . 17365 1 13 . VAL . 17365 1 14 . VAL . 17365 1 15 . ASP . 17365 1 16 . VAL . 17365 1 17 . THR . 17365 1 18 . ILE . 17365 1 19 . GLU . 17365 1 20 . ASP . 17365 1 21 . SER . 17365 1 22 . TYR . 17365 1 23 . SER . 17365 1 24 . THR . 17365 1 25 . GLU . 17365 1 26 . SER . 17365 1 27 . ALA . 17365 1 28 . TRP . 17365 1 29 . VAL . 17365 1 30 . ARG . 17365 1 31 . CYS . 17365 1 32 . ASP . 17365 1 33 . ASP . 17365 1 34 . CYS . 17365 1 35 . PHE . 17365 1 36 . LYS . 17365 1 37 . TRP . 17365 1 38 . ARG . 17365 1 39 . ARG . 17365 1 40 . ILE . 17365 1 41 . PRO . 17365 1 42 . ALA . 17365 1 43 . SER . 17365 1 44 . VAL . 17365 1 45 . VAL . 17365 1 46 . GLY . 17365 1 47 . SER . 17365 1 48 . ILE . 17365 1 49 . ASP . 17365 1 50 . GLU . 17365 1 51 . SER . 17365 1 52 . SER . 17365 1 53 . ARG . 17365 1 54 . TRP . 17365 1 55 . ILE . 17365 1 56 . CYS . 17365 1 57 . MET . 17365 1 58 . ASN . 17365 1 59 . ASN . 17365 1 60 . SER . 17365 1 61 . ASP . 17365 1 62 . LYS . 17365 1 63 . ARG . 17365 1 64 . PHE . 17365 1 65 . ALA . 17365 1 66 . ASP . 17365 1 67 . CYS . 17365 1 68 . SER . 17365 1 69 . LYS . 17365 1 70 . SER . 17365 1 71 . GLN . 17365 1 72 . GLU . 17365 1 73 . MET . 17365 1 74 . SER . 17365 1 75 . ASN . 17365 1 76 . GLU . 17365 1 77 . GLU . 17365 1 78 . ILE . 17365 1 79 . ASN . 17365 1 80 . GLU . 17365 1 81 . GLU . 17365 1 82 . LEU . 17365 1 83 . GLY . 17365 1 84 . ILE . 17365 1 85 . GLY . 17365 1 86 . GLN . 17365 1 87 . ASP . 17365 1 88 . GLU . 17365 1 89 . ALA . 17365 1 90 . ASP . 17365 1 91 . ALA . 17365 1 92 . TYR . 17365 1 93 . ASP . 17365 1 94 . CYS . 17365 1 95 . ASP . 17365 1 96 . ALA . 17365 1 97 . ALA . 17365 1 98 . LYS . 17365 1 99 . ARG . 17365 1 100 . GLY . 17365 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17365 1 . SER 2 2 17365 1 . ARG 3 3 17365 1 . ARG 4 4 17365 1 . ALA 5 5 17365 1 . SER 6 6 17365 1 . VAL 7 7 17365 1 . GLY 8 8 17365 1 . SER 9 9 17365 1 . GLU 10 10 17365 1 . PHE 11 11 17365 1 . MET 12 12 17365 1 . VAL 13 13 17365 1 . VAL 14 14 17365 1 . ASP 15 15 17365 1 . VAL 16 16 17365 1 . THR 17 17 17365 1 . ILE 18 18 17365 1 . GLU 19 19 17365 1 . ASP 20 20 17365 1 . SER 21 21 17365 1 . TYR 22 22 17365 1 . SER 23 23 17365 1 . THR 24 24 17365 1 . GLU 25 25 17365 1 . SER 26 26 17365 1 . ALA 27 27 17365 1 . TRP 28 28 17365 1 . VAL 29 29 17365 1 . ARG 30 30 17365 1 . CYS 31 31 17365 1 . ASP 32 32 17365 1 . ASP 33 33 17365 1 . CYS 34 34 17365 1 . PHE 35 35 17365 1 . LYS 36 36 17365 1 . TRP 37 37 17365 1 . ARG 38 38 17365 1 . ARG 39 39 17365 1 . ILE 40 40 17365 1 . PRO 41 41 17365 1 . ALA 42 42 17365 1 . SER 43 43 17365 1 . VAL 44 44 17365 1 . VAL 45 45 17365 1 . GLY 46 46 17365 1 . SER 47 47 17365 1 . ILE 48 48 17365 1 . ASP 49 49 17365 1 . GLU 50 50 17365 1 . SER 51 51 17365 1 . SER 52 52 17365 1 . ARG 53 53 17365 1 . TRP 54 54 17365 1 . ILE 55 55 17365 1 . CYS 56 56 17365 1 . MET 57 57 17365 1 . ASN 58 58 17365 1 . ASN 59 59 17365 1 . SER 60 60 17365 1 . ASP 61 61 17365 1 . LYS 62 62 17365 1 . ARG 63 63 17365 1 . PHE 64 64 17365 1 . ALA 65 65 17365 1 . ASP 66 66 17365 1 . CYS 67 67 17365 1 . SER 68 68 17365 1 . LYS 69 69 17365 1 . SER 70 70 17365 1 . GLN 71 71 17365 1 . GLU 72 72 17365 1 . MET 73 73 17365 1 . SER 74 74 17365 1 . ASN 75 75 17365 1 . GLU 76 76 17365 1 . GLU 77 77 17365 1 . ILE 78 78 17365 1 . ASN 79 79 17365 1 . GLU 80 80 17365 1 . GLU 81 81 17365 1 . LEU 82 82 17365 1 . GLY 83 83 17365 1 . ILE 84 84 17365 1 . GLY 85 85 17365 1 . GLN 86 86 17365 1 . ASP 87 87 17365 1 . GLU 88 88 17365 1 . ALA 89 89 17365 1 . ASP 90 90 17365 1 . ALA 91 91 17365 1 . TYR 92 92 17365 1 . ASP 93 93 17365 1 . CYS 94 94 17365 1 . ASP 95 95 17365 1 . ALA 96 96 17365 1 . ALA 97 97 17365 1 . LYS 98 98 17365 1 . ARG 99 99 17365 1 . GLY 100 100 17365 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17365 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17365 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17365 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17365 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 17365 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSXG . . . . . . 17365 1 2 2 $ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . non . . . . . . 17365 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17365 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 7 15:54:02 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 17365 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17365 ZN [Zn++] SMILES CACTVS 3.341 17365 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17365 ZN [Zn+2] SMILES ACDLabs 10.04 17365 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17365 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17365 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17365 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17365 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17365 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17365 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity_1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 17365 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 10 . . uM . . . . 17365 1 3 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 17365 1 4 DTT 'natural abundance' . . . . . . 1.0 . . mM . . . . 17365 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17365 1 6 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17365 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17365 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17365 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 17365 _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' 50 . mM 17365 1 pH 6.5 0.1 pH 17365 1 pressure 1 . atm 17365 1 temperature 298 0.2 K 17365 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17365 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17365 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17365 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17365 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17365 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17365 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17365 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17365 3 'data analysis' 17365 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17365 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17365 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Foruier transform' 17365 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AVII600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AVII600 _NMR_spectrometer.Entry_ID 17365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17365 _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 AVII600 Bruker Avance . 600 . . . 17365 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 17365 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 7 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 8 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 10 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 11 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 12 '3D HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 13 '3D HBHANH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 14 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 15 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 16 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 17 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 18 '1D 1H proton spectrum water suppresion with exitation sculptin' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVII600 . . . . . . . . . . . . . . . . 17365 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17365 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $AVII600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17365 _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 17365 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17365 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17365 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 17365 _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 18 '1D 1H proton spectrum water suppresion with exitation sculptin' . . . 17365 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 SER HA H 1 4.599 0.03 . 1 . . . . 2 SER HA . 17365 1 2 . 1 1 2 2 SER HB2 H 1 3.862 0.03 . 2 . . . . 2 SER QB . 17365 1 3 . 1 1 2 2 SER HB3 H 1 3.862 0.03 . 2 . . . . 2 SER QB . 17365 1 4 . 1 1 2 2 SER C C 13 174.183 0.45 . 1 . . . . 2 SER C . 17365 1 5 . 1 1 2 2 SER CA C 13 58.341 0.45 . 1 . . . . 2 SER CA . 17365 1 6 . 1 1 2 2 SER CB C 13 64.256 0.45 . 1 . . . . 2 SER CB . 17365 1 7 . 1 1 3 3 ARG H H 1 8.63 0.03 . 1 . . . . 3 ARG H . 17365 1 8 . 1 1 3 3 ARG HA H 1 4.519 0.03 . 1 . . . . 3 ARG HA . 17365 1 9 . 1 1 3 3 ARG HB2 H 1 1.837 0.03 . 2 . . . . 3 ARG HB2 . 17365 1 10 . 1 1 3 3 ARG HB3 H 1 1.749 0.03 . 2 . . . . 3 ARG HB3 . 17365 1 11 . 1 1 3 3 ARG HG2 H 1 1.619 0.03 . 2 . . . . 3 ARG QG . 17365 1 12 . 1 1 3 3 ARG HG3 H 1 1.619 0.03 . 2 . . . . 3 ARG QG . 17365 1 13 . 1 1 3 3 ARG HD2 H 1 3.136 0.03 . 2 . . . . 3 ARG QD . 17365 1 14 . 1 1 3 3 ARG HD3 H 1 3.136 0.03 . 2 . . . . 3 ARG QD . 17365 1 15 . 1 1 3 3 ARG C C 13 176.044 0.45 . 1 . . . . 3 ARG C . 17365 1 16 . 1 1 3 3 ARG CA C 13 56.012 0.45 . 1 . . . . 3 ARG CA . 17365 1 17 . 1 1 3 3 ARG CB C 13 31.305 0.45 . 1 . . . . 3 ARG CB . 17365 1 18 . 1 1 3 3 ARG CG C 13 27.266 0.45 . 1 . . . . 3 ARG CG . 17365 1 19 . 1 1 3 3 ARG CD C 13 43.391 0.45 . 1 . . . . 3 ARG CD . 17365 1 20 . 1 1 3 3 ARG N N 15 122.894 0.3 . 1 . . . . 3 ARG N . 17365 1 21 . 1 1 4 4 ARG H H 1 8.544 0.03 . 1 . . . . 4 ARG H . 17365 1 22 . 1 1 4 4 ARG HA H 1 4.41 0.03 . 1 . . . . 4 ARG HA . 17365 1 23 . 1 1 4 4 ARG HB2 H 1 1.812 0.03 . 2 . . . . 4 ARG HB2 . 17365 1 24 . 1 1 4 4 ARG HB3 H 1 1.696 0.03 . 2 . . . . 4 ARG HB3 . 17365 1 25 . 1 1 4 4 ARG HG2 H 1 1.69 0.03 . 2 . . . . 4 ARG HG2 . 17365 1 26 . 1 1 4 4 ARG HG3 H 1 1.608 0.03 . 2 . . . . 4 ARG HG3 . 17365 1 27 . 1 1 4 4 ARG HD2 H 1 3.083 0.03 . 2 . . . . 4 ARG QD . 17365 1 28 . 1 1 4 4 ARG HD3 H 1 3.083 0.03 . 2 . . . . 4 ARG QD . 17365 1 29 . 1 1 4 4 ARG C C 13 175.736 0.45 . 1 . . . . 4 ARG C . 17365 1 30 . 1 1 4 4 ARG CA C 13 55.924 0.45 . 1 . . . . 4 ARG CA . 17365 1 31 . 1 1 4 4 ARG CB C 13 31.395 0.45 . 1 . . . . 4 ARG CB . 17365 1 32 . 1 1 4 4 ARG CG C 13 31.406 0.45 . 1 . . . . 4 ARG CG . 17365 1 33 . 1 1 4 4 ARG CD C 13 43.395 0.45 . 1 . . . . 4 ARG CD . 17365 1 34 . 1 1 4 4 ARG N N 15 122.654 0.3 . 1 . . . . 4 ARG N . 17365 1 35 . 1 1 5 5 ALA H H 1 8.45 0.03 . 1 . . . . 5 ALA H . 17365 1 36 . 1 1 5 5 ALA HA H 1 4.414 0.03 . 1 . . . . 5 ALA HA . 17365 1 37 . 1 1 5 5 ALA HB1 H 1 1.382 0.03 . 1 . . . . 5 ALA QB . 17365 1 38 . 1 1 5 5 ALA HB2 H 1 1.382 0.03 . 1 . . . . 5 ALA QB . 17365 1 39 . 1 1 5 5 ALA HB3 H 1 1.382 0.03 . 1 . . . . 5 ALA QB . 17365 1 40 . 1 1 5 5 ALA C C 13 177.393 0.45 . 1 . . . . 5 ALA C . 17365 1 41 . 1 1 5 5 ALA CA C 13 52.32 0.45 . 1 . . . . 5 ALA CA . 17365 1 42 . 1 1 5 5 ALA CB C 13 19.81 0.45 . 1 . . . . 5 ALA CB . 17365 1 43 . 1 1 5 5 ALA N N 15 125.473 0.3 . 1 . . . . 5 ALA N . 17365 1 44 . 1 1 6 6 SER H H 1 8.357 0.03 . 1 . . . . 6 SER H . 17365 1 45 . 1 1 6 6 SER HA H 1 4.497 0.03 . 1 . . . . 6 SER HA . 17365 1 46 . 1 1 6 6 SER HB2 H 1 3.848 0.03 . 2 . . . . 6 SER QB . 17365 1 47 . 1 1 6 6 SER HB3 H 1 3.848 0.03 . 2 . . . . 6 SER QB . 17365 1 48 . 1 1 6 6 SER C C 13 174.529 0.45 . 1 . . . . 6 SER C . 17365 1 49 . 1 1 6 6 SER CA C 13 58.175 0.45 . 1 . . . . 6 SER CA . 17365 1 50 . 1 1 6 6 SER CB C 13 63.935 0.45 . 1 . . . . 6 SER CB . 17365 1 51 . 1 1 6 6 SER N N 15 115.375 0.3 . 1 . . . . 6 SER N . 17365 1 52 . 1 1 7 7 VAL H H 1 8.222 0.03 . 1 . . . . 7 VAL H . 17365 1 53 . 1 1 7 7 VAL HA H 1 4.17 0.03 . 1 . . . . 7 VAL HA . 17365 1 54 . 1 1 7 7 VAL HB H 1 2.088 0.03 . 1 . . . . 7 VAL HB . 17365 1 55 . 1 1 7 7 VAL HG11 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 56 . 1 1 7 7 VAL HG12 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 57 . 1 1 7 7 VAL HG13 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 58 . 1 1 7 7 VAL HG21 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 59 . 1 1 7 7 VAL HG22 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 60 . 1 1 7 7 VAL HG23 H 1 0.925 0.03 . 2 . . . . 7 VAL QQG . 17365 1 61 . 1 1 7 7 VAL C C 13 176.625 0.45 . 1 . . . . 7 VAL C . 17365 1 62 . 1 1 7 7 VAL CA C 13 62.488 0.45 . 1 . . . . 7 VAL CA . 17365 1 63 . 1 1 7 7 VAL CB C 13 32.741 0.45 . 1 . . . . 7 VAL CB . 17365 1 64 . 1 1 7 7 VAL CG1 C 13 21.136 0.45 . 2 . . . . 7 VAL CG1 . 17365 1 65 . 1 1 7 7 VAL CG2 C 13 20.438 0.45 . 2 . . . . 7 VAL CG2 . 17365 1 66 . 1 1 7 7 VAL N N 15 121.417 0.3 . 1 . . . . 7 VAL N . 17365 1 67 . 1 1 8 8 GLY H H 1 8.571 0.03 . 1 . . . . 8 GLY H . 17365 1 68 . 1 1 8 8 GLY HA2 H 1 4.08 0.03 . 2 . . . . 8 GLY HA2 . 17365 1 69 . 1 1 8 8 GLY HA3 H 1 3.992 0.03 . 2 . . . . 8 GLY HA3 . 17365 1 70 . 1 1 8 8 GLY C C 13 174.389 0.45 . 1 . . . . 8 GLY C . 17365 1 71 . 1 1 8 8 GLY CA C 13 45.399 0.45 . 1 . . . . 8 GLY CA . 17365 1 72 . 1 1 8 8 GLY N N 15 112.736 0.3 . 1 . . . . 8 GLY N . 17365 1 73 . 1 1 9 9 SER H H 1 8.216 0.03 . 1 . . . . 9 SER H . 17365 1 74 . 1 1 9 9 SER HA H 1 4.431 0.03 . 1 . . . . 9 SER HA . 17365 1 75 . 1 1 9 9 SER HB2 H 1 3.829 0.03 . 2 . . . . 9 SER HB2 . 17365 1 76 . 1 1 9 9 SER HB3 H 1 3.879 0.03 . 2 . . . . 9 SER HB3 . 17365 1 77 . 1 1 9 9 SER C C 13 174.752 0.45 . 1 . . . . 9 SER C . 17365 1 78 . 1 1 9 9 SER CA C 13 58.681 0.45 . 1 . . . . 9 SER CA . 17365 1 79 . 1 1 9 9 SER CB C 13 63.89 0.45 . 1 . . . . 9 SER CB . 17365 1 80 . 1 1 9 9 SER N N 15 115.87 0.3 . 1 . . . . 9 SER N . 17365 1 81 . 1 1 10 10 GLU H H 1 8.704 0.03 . 1 . . . . 10 GLU H . 17365 1 82 . 1 1 10 10 GLU HA H 1 4.21 0.03 . 1 . . . . 10 GLU HA . 17365 1 83 . 1 1 10 10 GLU HB2 H 1 1.827 0.03 . 2 . . . . 10 GLU HB2 . 17365 1 84 . 1 1 10 10 GLU HB3 H 1 1.886 0.03 . 2 . . . . 10 GLU HB3 . 17365 1 85 . 1 1 10 10 GLU HG2 H 1 1.993 0.03 . 2 . . . . 10 GLU HG2 . 17365 1 86 . 1 1 10 10 GLU HG3 H 1 2.116 0.03 . 2 . . . . 10 GLU HG3 . 17365 1 87 . 1 1 10 10 GLU C C 13 176.079 0.45 . 1 . . . . 10 GLU C . 17365 1 88 . 1 1 10 10 GLU CA C 13 57.069 0.45 . 1 . . . . 10 GLU CA . 17365 1 89 . 1 1 10 10 GLU CB C 13 29.855 0.45 . 1 . . . . 10 GLU CB . 17365 1 90 . 1 1 10 10 GLU CG C 13 36.157 0.45 . 1 . . . . 10 GLU CG . 17365 1 91 . 1 1 10 10 GLU N N 15 122.44 0.3 . 1 . . . . 10 GLU N . 17365 1 92 . 1 1 11 11 PHE H H 1 8.076 0.03 . 1 . . . . 11 PHE H . 17365 1 93 . 1 1 11 11 PHE HA H 1 4.655 0.03 . 1 . . . . 11 PHE HA . 17365 1 94 . 1 1 11 11 PHE HB2 H 1 3.144 0.03 . 2 . . . . 11 PHE HB2 . 17365 1 95 . 1 1 11 11 PHE HB3 H 1 2.96 0.03 . 2 . . . . 11 PHE HB3 . 17365 1 96 . 1 1 11 11 PHE HD1 H 1 7.202 0.03 . 3 . . . . 11 PHE QD . 17365 1 97 . 1 1 11 11 PHE HD2 H 1 7.202 0.03 . 3 . . . . 11 PHE QD . 17365 1 98 . 1 1 11 11 PHE HE1 H 1 7.299 0.03 . 3 . . . . 11 PHE QE . 17365 1 99 . 1 1 11 11 PHE HE2 H 1 7.299 0.03 . 3 . . . . 11 PHE QE . 17365 1 100 . 1 1 11 11 PHE C C 13 175.789 0.45 . 1 . . . . 11 PHE C . 17365 1 101 . 1 1 11 11 PHE CA C 13 57.565 0.45 . 1 . . . . 11 PHE CA . 17365 1 102 . 1 1 11 11 PHE CB C 13 39.616 0.45 . 1 . . . . 11 PHE CB . 17365 1 103 . 1 1 11 11 PHE CD1 C 13 131.589 0.45 . 3 . . . . 11 PHE CD1 . 17365 1 104 . 1 1 11 11 PHE CE1 C 13 132.647 0.45 . 3 . . . . 11 PHE CE1 . 17365 1 105 . 1 1 11 11 PHE N N 15 119.578 0.3 . 1 . . . . 11 PHE N . 17365 1 106 . 1 1 12 12 MET H H 1 8.096 0.03 . 1 . . . . 12 MET H . 17365 1 107 . 1 1 12 12 MET HA H 1 4.479 0.03 . 1 . . . . 12 MET HA . 17365 1 108 . 1 1 12 12 MET HB2 H 1 1.952 0.03 . 2 . . . . 12 MET QB . 17365 1 109 . 1 1 12 12 MET HB3 H 1 1.952 0.03 . 2 . . . . 12 MET QB . 17365 1 110 . 1 1 12 12 MET HG2 H 1 2.442 0.03 . 2 . . . . 12 MET QG . 17365 1 111 . 1 1 12 12 MET HG3 H 1 2.442 0.03 . 2 . . . . 12 MET QG . 17365 1 112 . 1 1 12 12 MET HE1 H 1 1.994 0.03 . 1 . . . . 12 MET QE . 17365 1 113 . 1 1 12 12 MET HE2 H 1 1.994 0.03 . 1 . . . . 12 MET QE . 17365 1 114 . 1 1 12 12 MET HE3 H 1 1.994 0.03 . 1 . . . . 12 MET QE . 17365 1 115 . 1 1 12 12 MET C C 13 175.337 0.45 . 1 . . . . 12 MET C . 17365 1 116 . 1 1 12 12 MET CA C 13 55.251 0.45 . 1 . . . . 12 MET CA . 17365 1 117 . 1 1 12 12 MET CB C 13 33.38 0.45 . 1 . . . . 12 MET CB . 17365 1 118 . 1 1 12 12 MET CG C 13 31.86 0.45 . 1 . . . . 12 MET CG . 17365 1 119 . 1 1 12 12 MET CE C 13 16.975 0.45 . 1 . . . . 12 MET CE . 17365 1 120 . 1 1 12 12 MET N N 15 121.741 0.3 . 1 . . . . 12 MET N . 17365 1 121 . 1 1 13 13 VAL H H 1 8.181 0.03 . 1 . . . . 13 VAL H . 17365 1 122 . 1 1 13 13 VAL HA H 1 4.147 0.03 . 1 . . . . 13 VAL HA . 17365 1 123 . 1 1 13 13 VAL HB H 1 2.021 0.03 . 1 . . . . 13 VAL HB . 17365 1 124 . 1 1 13 13 VAL HG11 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 125 . 1 1 13 13 VAL HG12 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 126 . 1 1 13 13 VAL HG13 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 127 . 1 1 13 13 VAL HG21 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 128 . 1 1 13 13 VAL HG22 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 129 . 1 1 13 13 VAL HG23 H 1 0.922 0.03 . 2 . . . . 13 VAL QQG . 17365 1 130 . 1 1 13 13 VAL C C 13 175.847 0.45 . 1 . . . . 13 VAL C . 17365 1 131 . 1 1 13 13 VAL CA C 13 62.246 0.45 . 1 . . . . 13 VAL CA . 17365 1 132 . 1 1 13 13 VAL CB C 13 32.721 0.45 . 1 . . . . 13 VAL CB . 17365 1 133 . 1 1 13 13 VAL CG1 C 13 21.062 0.45 . 2 . . . . 13 VAL CG1 . 17365 1 134 . 1 1 13 13 VAL N N 15 122.285 0.3 . 1 . . . . 13 VAL N . 17365 1 135 . 1 1 14 14 VAL H H 1 8.22 0.03 . 1 . . . . 14 VAL H . 17365 1 136 . 1 1 14 14 VAL HA H 1 4.156 0.03 . 1 . . . . 14 VAL HA . 17365 1 137 . 1 1 14 14 VAL HB H 1 2.035 0.03 . 1 . . . . 14 VAL HB . 17365 1 138 . 1 1 14 14 VAL HG11 H 1 0.904 0.03 . 2 . . . . 14 VAL QG1 . 17365 1 139 . 1 1 14 14 VAL HG12 H 1 0.904 0.03 . 2 . . . . 14 VAL QG1 . 17365 1 140 . 1 1 14 14 VAL HG13 H 1 0.904 0.03 . 2 . . . . 14 VAL QG1 . 17365 1 141 . 1 1 14 14 VAL HG21 H 1 0.88 0.03 . 2 . . . . 14 VAL QG2 . 17365 1 142 . 1 1 14 14 VAL HG22 H 1 0.88 0.03 . 2 . . . . 14 VAL QG2 . 17365 1 143 . 1 1 14 14 VAL HG23 H 1 0.88 0.03 . 2 . . . . 14 VAL QG2 . 17365 1 144 . 1 1 14 14 VAL C C 13 175.389 0.45 . 1 . . . . 14 VAL C . 17365 1 145 . 1 1 14 14 VAL CA C 13 62.032 0.45 . 1 . . . . 14 VAL CA . 17365 1 146 . 1 1 14 14 VAL CB C 13 33.059 0.45 . 1 . . . . 14 VAL CB . 17365 1 147 . 1 1 14 14 VAL CG1 C 13 20.488 0.45 . 2 . . . . 14 VAL CG1 . 17365 1 148 . 1 1 14 14 VAL CG2 C 13 21.159 0.45 . 2 . . . . 14 VAL CG2 . 17365 1 149 . 1 1 14 14 VAL N N 15 123.851 0.3 . 1 . . . . 14 VAL N . 17365 1 150 . 1 1 15 15 ASP H H 1 8.378 0.03 . 1 . . . . 15 ASP H . 17365 1 151 . 1 1 15 15 ASP HA H 1 4.676 0.03 . 1 . . . . 15 ASP HA . 17365 1 152 . 1 1 15 15 ASP HB2 H 1 2.579 0.03 . 2 . . . . 15 ASP HB2 . 17365 1 153 . 1 1 15 15 ASP HB3 H 1 2.728 0.03 . 2 . . . . 15 ASP HB3 . 17365 1 154 . 1 1 15 15 ASP C C 13 176.142 0.45 . 1 . . . . 15 ASP C . 17365 1 155 . 1 1 15 15 ASP CA C 13 54.024 0.45 . 1 . . . . 15 ASP CA . 17365 1 156 . 1 1 15 15 ASP CB C 13 41.321 0.45 . 1 . . . . 15 ASP CB . 17365 1 157 . 1 1 15 15 ASP N N 15 124.226 0.3 . 1 . . . . 15 ASP N . 17365 1 158 . 1 1 16 16 VAL H H 1 8.122 0.03 . 1 . . . . 16 VAL H . 17365 1 159 . 1 1 16 16 VAL HA H 1 4.217 0.03 . 1 . . . . 16 VAL HA . 17365 1 160 . 1 1 16 16 VAL HB H 1 2.152 0.03 . 1 . . . . 16 VAL HB . 17365 1 161 . 1 1 16 16 VAL HG11 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 162 . 1 1 16 16 VAL HG12 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 163 . 1 1 16 16 VAL HG13 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 164 . 1 1 16 16 VAL HG21 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 165 . 1 1 16 16 VAL HG22 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 166 . 1 1 16 16 VAL HG23 H 1 0.924 0.03 . 2 . . . . 16 VAL QQG . 17365 1 167 . 1 1 16 16 VAL C C 13 176.287 0.45 . 1 . . . . 16 VAL C . 17365 1 168 . 1 1 16 16 VAL CA C 13 62.248 0.45 . 1 . . . . 16 VAL CA . 17365 1 169 . 1 1 16 16 VAL CB C 13 32.668 0.45 . 1 . . . . 16 VAL CB . 17365 1 170 . 1 1 16 16 VAL CG1 C 13 20.201 0.45 . 2 . . . . 16 VAL CG1 . 17365 1 171 . 1 1 16 16 VAL CG2 C 13 21.197 0.45 . 2 . . . . 16 VAL CG2 . 17365 1 172 . 1 1 16 16 VAL N N 15 120.107 0.3 . 1 . . . . 16 VAL N . 17365 1 173 . 1 1 17 17 THR H H 1 8.42 0.03 . 1 . . . . 17 THR H . 17365 1 174 . 1 1 17 17 THR HA H 1 4.346 0.03 . 1 . . . . 17 THR HA . 17365 1 175 . 1 1 17 17 THR HB H 1 4.208 0.03 . 1 . . . . 17 THR HB . 17365 1 176 . 1 1 17 17 THR HG21 H 1 1.19 0.03 . 1 . . . . 17 THR QG2 . 17365 1 177 . 1 1 17 17 THR HG22 H 1 1.19 0.03 . 1 . . . . 17 THR QG2 . 17365 1 178 . 1 1 17 17 THR HG23 H 1 1.19 0.03 . 1 . . . . 17 THR QG2 . 17365 1 179 . 1 1 17 17 THR C C 13 174.663 0.45 . 1 . . . . 17 THR C . 17365 1 180 . 1 1 17 17 THR CA C 13 62.218 0.45 . 1 . . . . 17 THR CA . 17365 1 181 . 1 1 17 17 THR CB C 13 69.846 0.45 . 1 . . . . 17 THR CB . 17365 1 182 . 1 1 17 17 THR CG2 C 13 21.828 0.45 . 1 . . . . 17 THR CG2 . 17365 1 183 . 1 1 17 17 THR N N 15 117.322 0.3 . 1 . . . . 17 THR N . 17365 1 184 . 1 1 18 18 ILE H H 1 8.029 0.03 . 1 . . . . 18 ILE H . 17365 1 185 . 1 1 18 18 ILE HA H 1 4.204 0.03 . 1 . . . . 18 ILE HA . 17365 1 186 . 1 1 18 18 ILE HB H 1 1.872 0.03 . 1 . . . . 18 ILE HB . 17365 1 187 . 1 1 18 18 ILE HG12 H 1 1.443 0.03 . 2 . . . . 18 ILE HG12 . 17365 1 188 . 1 1 18 18 ILE HG13 H 1 1.159 0.03 . 2 . . . . 18 ILE HG13 . 17365 1 189 . 1 1 18 18 ILE HG21 H 1 0.887 0.03 . 1 . . . . 18 ILE QG2 . 17365 1 190 . 1 1 18 18 ILE HG22 H 1 0.887 0.03 . 1 . . . . 18 ILE QG2 . 17365 1 191 . 1 1 18 18 ILE HG23 H 1 0.887 0.03 . 1 . . . . 18 ILE QG2 . 17365 1 192 . 1 1 18 18 ILE HD11 H 1 0.845 0.03 . 1 . . . . 18 ILE QD1 . 17365 1 193 . 1 1 18 18 ILE HD12 H 1 0.845 0.03 . 1 . . . . 18 ILE QD1 . 17365 1 194 . 1 1 18 18 ILE HD13 H 1 0.845 0.03 . 1 . . . . 18 ILE QD1 . 17365 1 195 . 1 1 18 18 ILE C C 13 176.186 0.45 . 1 . . . . 18 ILE C . 17365 1 196 . 1 1 18 18 ILE CA C 13 61.124 0.45 . 1 . . . . 18 ILE CA . 17365 1 197 . 1 1 18 18 ILE CB C 13 38.701 0.45 . 1 . . . . 18 ILE CB . 17365 1 198 . 1 1 18 18 ILE CG1 C 13 27.337 0.45 . 1 . . . . 18 ILE CG1 . 17365 1 199 . 1 1 18 18 ILE CG2 C 13 17.508 0.45 . 1 . . . . 18 ILE CG2 . 17365 1 200 . 1 1 18 18 ILE CD1 C 13 12.862 0.45 . 1 . . . . 18 ILE CD1 . 17365 1 201 . 1 1 18 18 ILE N N 15 122.855 0.3 . 1 . . . . 18 ILE N . 17365 1 202 . 1 1 19 19 GLU H H 1 8.443 0.03 . 1 . . . . 19 GLU H . 17365 1 203 . 1 1 19 19 GLU HA H 1 4.249 0.03 . 1 . . . . 19 GLU HA . 17365 1 204 . 1 1 19 19 GLU HB2 H 1 2.032 0.03 . 2 . . . . 19 GLU HB2 . 17365 1 205 . 1 1 19 19 GLU HB3 H 1 1.906 0.03 . 2 . . . . 19 GLU HB3 . 17365 1 206 . 1 1 19 19 GLU HG2 H 1 2.252 0.03 . 2 . . . . 19 GLU QG . 17365 1 207 . 1 1 19 19 GLU HG3 H 1 2.252 0.03 . 2 . . . . 19 GLU QG . 17365 1 208 . 1 1 19 19 GLU C C 13 176.259 0.45 . 1 . . . . 19 GLU C . 17365 1 209 . 1 1 19 19 GLU CA C 13 56.829 0.45 . 1 . . . . 19 GLU CA . 17365 1 210 . 1 1 19 19 GLU CB C 13 30.233 0.45 . 1 . . . . 19 GLU CB . 17365 1 211 . 1 1 19 19 GLU CG C 13 36.314 0.45 . 1 . . . . 19 GLU CG . 17365 1 212 . 1 1 19 19 GLU N N 15 124.649 0.3 . 1 . . . . 19 GLU N . 17365 1 213 . 1 1 20 20 ASP H H 1 8.313 0.03 . 1 . . . . 20 ASP H . 17365 1 214 . 1 1 20 20 ASP HA H 1 4.579 0.03 . 1 . . . . 20 ASP HA . 17365 1 215 . 1 1 20 20 ASP HB2 H 1 2.654 0.03 . 2 . . . . 20 ASP QB . 17365 1 216 . 1 1 20 20 ASP HB3 H 1 2.654 0.03 . 2 . . . . 20 ASP QB . 17365 1 217 . 1 1 20 20 ASP C C 13 176.325 0.45 . 1 . . . . 20 ASP C . 17365 1 218 . 1 1 20 20 ASP CA C 13 54.573 0.45 . 1 . . . . 20 ASP CA . 17365 1 219 . 1 1 20 20 ASP CB C 13 41.191 0.45 . 1 . . . . 20 ASP CB . 17365 1 220 . 1 1 20 20 ASP N N 15 121.336 0.3 . 1 . . . . 20 ASP N . 17365 1 221 . 1 1 21 21 SER H H 1 8.173 0.03 . 1 . . . . 21 SER H . 17365 1 222 . 1 1 21 21 SER HA H 1 4.368 0.03 . 1 . . . . 21 SER HA . 17365 1 223 . 1 1 21 21 SER HB2 H 1 3.782 0.03 . 2 . . . . 21 SER QB . 17365 1 224 . 1 1 21 21 SER HB3 H 1 3.782 0.03 . 2 . . . . 21 SER QB . 17365 1 225 . 1 1 21 21 SER C C 13 174.358 0.45 . 1 . . . . 21 SER C . 17365 1 226 . 1 1 21 21 SER CA C 13 58.676 0.45 . 1 . . . . 21 SER CA . 17365 1 227 . 1 1 21 21 SER CB C 13 63.729 0.45 . 1 . . . . 21 SER CB . 17365 1 228 . 1 1 21 21 SER N N 15 115.785 0.3 . 1 . . . . 21 SER N . 17365 1 229 . 1 1 22 22 TYR H H 1 8.145 0.03 . 1 . . . . 22 TYR H . 17365 1 230 . 1 1 22 22 TYR HA H 1 4.592 0.03 . 1 . . . . 22 TYR HA . 17365 1 231 . 1 1 22 22 TYR HB2 H 1 3.088 0.03 . 2 . . . . 22 TYR HB2 . 17365 1 232 . 1 1 22 22 TYR HB3 H 1 2.979 0.03 . 2 . . . . 22 TYR HB3 . 17365 1 233 . 1 1 22 22 TYR HD1 H 1 7.114 0.03 . 3 . . . . 22 TYR QD . 17365 1 234 . 1 1 22 22 TYR HD2 H 1 7.114 0.03 . 3 . . . . 22 TYR QD . 17365 1 235 . 1 1 22 22 TYR HE1 H 1 6.809 0.03 . 3 . . . . 22 TYR QE . 17365 1 236 . 1 1 22 22 TYR HE2 H 1 6.809 0.03 . 3 . . . . 22 TYR QE . 17365 1 237 . 1 1 22 22 TYR C C 13 175.994 0.45 . 1 . . . . 22 TYR C . 17365 1 238 . 1 1 22 22 TYR CA C 13 58.097 0.45 . 1 . . . . 22 TYR CA . 17365 1 239 . 1 1 22 22 TYR CB C 13 38.733 0.45 . 1 . . . . 22 TYR CB . 17365 1 240 . 1 1 22 22 TYR CD1 C 13 133.791 0.45 . 3 . . . . 22 TYR CD1 . 17365 1 241 . 1 1 22 22 TYR CE1 C 13 118.129 0.45 . 3 . . . . 22 TYR CE1 . 17365 1 242 . 1 1 22 22 TYR N N 15 121.622 0.3 . 1 . . . . 22 TYR N . 17365 1 243 . 1 1 23 23 SER H H 1 8.184 0.03 . 1 . . . . 23 SER H . 17365 1 244 . 1 1 23 23 SER HA H 1 4.486 0.03 . 1 . . . . 23 SER HA . 17365 1 245 . 1 1 23 23 SER HB2 H 1 3.835 0.03 . 2 . . . . 23 SER HB2 . 17365 1 246 . 1 1 23 23 SER HB3 H 1 3.906 0.03 . 2 . . . . 23 SER HB3 . 17365 1 247 . 1 1 23 23 SER C C 13 174.743 0.45 . 1 . . . . 23 SER C . 17365 1 248 . 1 1 23 23 SER CA C 13 58.311 0.45 . 1 . . . . 23 SER CA . 17365 1 249 . 1 1 23 23 SER CB C 13 63.923 0.45 . 1 . . . . 23 SER CB . 17365 1 250 . 1 1 23 23 SER N N 15 116.692 0.3 . 1 . . . . 23 SER N . 17365 1 251 . 1 1 24 24 THR H H 1 8.162 0.03 . 1 . . . . 24 THR H . 17365 1 252 . 1 1 24 24 THR HA H 1 4.354 0.03 . 1 . . . . 24 THR HA . 17365 1 253 . 1 1 24 24 THR HB H 1 4.328 0.03 . 1 . . . . 24 THR HB . 17365 1 254 . 1 1 24 24 THR HG21 H 1 1.22 0.03 . 1 . . . . 24 THR QG2 . 17365 1 255 . 1 1 24 24 THR HG22 H 1 1.22 0.03 . 1 . . . . 24 THR QG2 . 17365 1 256 . 1 1 24 24 THR HG23 H 1 1.22 0.03 . 1 . . . . 24 THR QG2 . 17365 1 257 . 1 1 24 24 THR C C 13 174.525 0.45 . 1 . . . . 24 THR C . 17365 1 258 . 1 1 24 24 THR CA C 13 61.73 0.45 . 1 . . . . 24 THR CA . 17365 1 259 . 1 1 24 24 THR CB C 13 69.595 0.45 . 1 . . . . 24 THR CB . 17365 1 260 . 1 1 24 24 THR CG2 C 13 21.583 0.45 . 1 . . . . 24 THR CG2 . 17365 1 261 . 1 1 24 24 THR N N 15 115.265 0.3 . 1 . . . . 24 THR N . 17365 1 262 . 1 1 25 25 GLU H H 1 8.335 0.03 . 1 . . . . 25 GLU H . 17365 1 263 . 1 1 25 25 GLU HA H 1 4.373 0.03 . 1 . . . . 25 GLU HA . 17365 1 264 . 1 1 25 25 GLU HB2 H 1 1.938 0.03 . 2 . . . . 25 GLU HB2 . 17365 1 265 . 1 1 25 25 GLU HB3 H 1 2.073 0.03 . 2 . . . . 25 GLU HB3 . 17365 1 266 . 1 1 25 25 GLU HG2 H 1 2.319 0.03 . 2 . . . . 25 GLU HG2 . 17365 1 267 . 1 1 25 25 GLU HG3 H 1 2.272 0.03 . 2 . . . . 25 GLU HG3 . 17365 1 268 . 1 1 25 25 GLU C C 13 176.427 0.45 . 1 . . . . 25 GLU C . 17365 1 269 . 1 1 25 25 GLU CA C 13 56.757 0.45 . 1 . . . . 25 GLU CA . 17365 1 270 . 1 1 25 25 GLU CB C 13 30.337 0.45 . 1 . . . . 25 GLU CB . 17365 1 271 . 1 1 25 25 GLU CG C 13 36.216 0.45 . 1 . . . . 25 GLU CG . 17365 1 272 . 1 1 25 25 GLU N N 15 122.819 0.3 . 1 . . . . 25 GLU N . 17365 1 273 . 1 1 26 26 SER H H 1 8.462 0.03 . 1 . . . . 26 SER H . 17365 1 274 . 1 1 26 26 SER HA H 1 4.801 0.03 . 1 . . . . 26 SER HA . 17365 1 275 . 1 1 26 26 SER HB2 H 1 3.536 0.03 . 2 . . . . 26 SER QB . 17365 1 276 . 1 1 26 26 SER HB3 H 1 3.536 0.03 . 2 . . . . 26 SER QB . 17365 1 277 . 1 1 26 26 SER C C 13 171.985 0.45 . 1 . . . . 26 SER C . 17365 1 278 . 1 1 26 26 SER CA C 13 58.079 0.45 . 1 . . . . 26 SER CA . 17365 1 279 . 1 1 26 26 SER CB C 13 65.757 0.45 . 1 . . . . 26 SER CB . 17365 1 280 . 1 1 26 26 SER N N 15 117.945 0.3 . 1 . . . . 26 SER N . 17365 1 281 . 1 1 27 27 ALA H H 1 8.91 0.03 . 1 . . . . 27 ALA H . 17365 1 282 . 1 1 27 27 ALA HA H 1 4.635 0.03 . 1 . . . . 27 ALA HA . 17365 1 283 . 1 1 27 27 ALA HB1 H 1 1.207 0.03 . 1 . . . . 27 ALA QB . 17365 1 284 . 1 1 27 27 ALA HB2 H 1 1.207 0.03 . 1 . . . . 27 ALA QB . 17365 1 285 . 1 1 27 27 ALA HB3 H 1 1.207 0.03 . 1 . . . . 27 ALA QB . 17365 1 286 . 1 1 27 27 ALA C C 13 174.399 0.45 . 1 . . . . 27 ALA C . 17365 1 287 . 1 1 27 27 ALA CA C 13 50.685 0.45 . 1 . . . . 27 ALA CA . 17365 1 288 . 1 1 27 27 ALA CB C 13 22.349 0.45 . 1 . . . . 27 ALA CB . 17365 1 289 . 1 1 27 27 ALA N N 15 125.46 0.3 . 1 . . . . 27 ALA N . 17365 1 290 . 1 1 28 28 TRP H H 1 8.274 0.03 . 1 . . . . 28 TRP H . 17365 1 291 . 1 1 28 28 TRP HA H 1 5.272 0.03 . 1 . . . . 28 TRP HA . 17365 1 292 . 1 1 28 28 TRP HB2 H 1 2.67 0.03 . 2 . . . . 28 TRP HB2 . 17365 1 293 . 1 1 28 28 TRP HB3 H 1 3.166 0.03 . 2 . . . . 28 TRP HB3 . 17365 1 294 . 1 1 28 28 TRP HD1 H 1 6.855 0.03 . 1 . . . . 28 TRP HD1 . 17365 1 295 . 1 1 28 28 TRP HE1 H 1 10.072 0.03 . 1 . . . . 28 TRP HE1 . 17365 1 296 . 1 1 28 28 TRP HE3 H 1 7.287 0.03 . 1 . . . . 28 TRP HE3 . 17365 1 297 . 1 1 28 28 TRP HZ2 H 1 7.234 0.03 . 1 . . . . 28 TRP HZ2 . 17365 1 298 . 1 1 28 28 TRP HZ3 H 1 6.725 0.03 . 1 . . . . 28 TRP HZ3 . 17365 1 299 . 1 1 28 28 TRP HH2 H 1 6.705 0.03 . 1 . . . . 28 TRP HH2 . 17365 1 300 . 1 1 28 28 TRP C C 13 175.529 0.45 . 1 . . . . 28 TRP C . 17365 1 301 . 1 1 28 28 TRP CA C 13 56.174 0.45 . 1 . . . . 28 TRP CA . 17365 1 302 . 1 1 28 28 TRP CB C 13 32.096 0.45 . 1 . . . . 28 TRP CB . 17365 1 303 . 1 1 28 28 TRP CD1 C 13 126.278 0.45 . 1 . . . . 28 TRP CD1 . 17365 1 304 . 1 1 28 28 TRP CZ2 C 13 114.497 0.45 . 1 . . . . 28 TRP CZ2 . 17365 1 305 . 1 1 28 28 TRP CZ3 C 13 120.314 0.45 . 1 . . . . 28 TRP CZ3 . 17365 1 306 . 1 1 28 28 TRP CH2 C 13 123.424 0.45 . 1 . . . . 28 TRP CH2 . 17365 1 307 . 1 1 28 28 TRP N N 15 118.676 0.3 . 1 . . . . 28 TRP N . 17365 1 308 . 1 1 28 28 TRP NE1 N 15 128.599 0.3 . 1 . . . . 28 TRP NE1 . 17365 1 309 . 1 1 29 29 VAL H H 1 9.297 0.03 . 1 . . . . 29 VAL H . 17365 1 310 . 1 1 29 29 VAL HA H 1 4.672 0.03 . 1 . . . . 29 VAL HA . 17365 1 311 . 1 1 29 29 VAL HB H 1 1.317 0.03 . 1 . . . . 29 VAL HB . 17365 1 312 . 1 1 29 29 VAL HG11 H 1 -0.084 0.03 . 2 . . . . 29 VAL QG1 . 17365 1 313 . 1 1 29 29 VAL HG12 H 1 -0.084 0.03 . 2 . . . . 29 VAL QG1 . 17365 1 314 . 1 1 29 29 VAL HG13 H 1 -0.084 0.03 . 2 . . . . 29 VAL QG1 . 17365 1 315 . 1 1 29 29 VAL HG21 H 1 0.073 0.03 . 2 . . . . 29 VAL QG2 . 17365 1 316 . 1 1 29 29 VAL HG22 H 1 0.073 0.03 . 2 . . . . 29 VAL QG2 . 17365 1 317 . 1 1 29 29 VAL HG23 H 1 0.073 0.03 . 2 . . . . 29 VAL QG2 . 17365 1 318 . 1 1 29 29 VAL C C 13 172.196 0.45 . 1 . . . . 29 VAL C . 17365 1 319 . 1 1 29 29 VAL CA C 13 59.452 0.45 . 1 . . . . 29 VAL CA . 17365 1 320 . 1 1 29 29 VAL CB C 13 35.26 0.45 . 1 . . . . 29 VAL CB . 17365 1 321 . 1 1 29 29 VAL CG1 C 13 19.398 0.45 . 2 . . . . 29 VAL CG1 . 17365 1 322 . 1 1 29 29 VAL CG2 C 13 19.491 0.45 . 2 . . . . 29 VAL CG2 . 17365 1 323 . 1 1 29 29 VAL N N 15 121.179 0.3 . 1 . . . . 29 VAL N . 17365 1 324 . 1 1 30 30 ARG H H 1 8.016 0.03 . 1 . . . . 30 ARG H . 17365 1 325 . 1 1 30 30 ARG HA H 1 4.504 0.03 . 1 . . . . 30 ARG HA . 17365 1 326 . 1 1 30 30 ARG HB2 H 1 1.001 0.03 . 2 . . . . 30 ARG HB2 . 17365 1 327 . 1 1 30 30 ARG HB3 H 1 -0.016 0.03 . 2 . . . . 30 ARG HB3 . 17365 1 328 . 1 1 30 30 ARG HG2 H 1 0.609 0.03 . 2 . . . . 30 ARG HG2 . 17365 1 329 . 1 1 30 30 ARG HG3 H 1 0.124 0.03 . 2 . . . . 30 ARG HG3 . 17365 1 330 . 1 1 30 30 ARG HD2 H 1 2.303 0.03 . 2 . . . . 30 ARG QD . 17365 1 331 . 1 1 30 30 ARG HD3 H 1 2.303 0.03 . 2 . . . . 30 ARG QD . 17365 1 332 . 1 1 30 30 ARG HE H 1 6.594 0.03 . 1 . . . . 30 ARG HE . 17365 1 333 . 1 1 30 30 ARG C C 13 175.806 0.45 . 1 . . . . 30 ARG C . 17365 1 334 . 1 1 30 30 ARG CA C 13 53.949 0.45 . 1 . . . . 30 ARG CA . 17365 1 335 . 1 1 30 30 ARG CB C 13 31.613 0.45 . 1 . . . . 30 ARG CB . 17365 1 336 . 1 1 30 30 ARG CG C 13 26.33 0.45 . 1 . . . . 30 ARG CG . 17365 1 337 . 1 1 30 30 ARG CD C 13 43.78 0.45 . 1 . . . . 30 ARG CD . 17365 1 338 . 1 1 30 30 ARG N N 15 126.232 0.3 . 1 . . . . 30 ARG N . 17365 1 339 . 1 1 30 30 ARG NE N 15 108.74 0.3 . 1 . . . . 30 ARG NE . 17365 1 340 . 1 1 31 31 CYS H H 1 8.685 0.03 . 1 . . . . 31 CYS H . 17365 1 341 . 1 1 31 31 CYS HA H 1 4.755 0.03 . 1 . . . . 31 CYS HA . 17365 1 342 . 1 1 31 31 CYS HB2 H 1 3.329 0.03 . 2 . . . . 31 CYS HB2 . 17365 1 343 . 1 1 31 31 CYS HB3 H 1 3.556 0.03 . 2 . . . . 31 CYS HB3 . 17365 1 344 . 1 1 31 31 CYS C C 13 178.193 0.45 . 1 . . . . 31 CYS C . 17365 1 345 . 1 1 31 31 CYS CA C 13 59.675 0.45 . 1 . . . . 31 CYS CA . 17365 1 346 . 1 1 31 31 CYS CB C 13 32.383 0.45 . 1 . . . . 31 CYS CB . 17365 1 347 . 1 1 31 31 CYS N N 15 127.436 0.3 . 1 . . . . 31 CYS N . 17365 1 348 . 1 1 32 32 ASP H H 1 9.481 0.03 . 1 . . . . 32 ASP H . 17365 1 349 . 1 1 32 32 ASP HA H 1 4.547 0.03 . 1 . . . . 32 ASP HA . 17365 1 350 . 1 1 32 32 ASP HB2 H 1 2.518 0.03 . 2 . . . . 32 ASP HB2 . 17365 1 351 . 1 1 32 32 ASP HB3 H 1 2.652 0.03 . 2 . . . . 32 ASP HB3 . 17365 1 352 . 1 1 32 32 ASP C C 13 174.928 0.45 . 1 . . . . 32 ASP C . 17365 1 353 . 1 1 32 32 ASP CA C 13 57.185 0.45 . 1 . . . . 32 ASP CA . 17365 1 354 . 1 1 32 32 ASP CB C 13 42.336 0.45 . 1 . . . . 32 ASP CB . 17365 1 355 . 1 1 32 32 ASP N N 15 128.794 0.3 . 1 . . . . 32 ASP N . 17365 1 356 . 1 1 33 33 ASP H H 1 9.464 0.03 . 1 . . . . 33 ASP H . 17365 1 357 . 1 1 33 33 ASP HA H 1 4.844 0.03 . 1 . . . . 33 ASP HA . 17365 1 358 . 1 1 33 33 ASP HB2 H 1 2.499 0.03 . 2 . . . . 33 ASP HB2 . 17365 1 359 . 1 1 33 33 ASP HB3 H 1 2.593 0.03 . 2 . . . . 33 ASP HB3 . 17365 1 360 . 1 1 33 33 ASP C C 13 176.846 0.45 . 1 . . . . 33 ASP C . 17365 1 361 . 1 1 33 33 ASP CA C 13 55.76 0.45 . 1 . . . . 33 ASP CA . 17365 1 362 . 1 1 33 33 ASP CB C 13 42.231 0.45 . 1 . . . . 33 ASP CB . 17365 1 363 . 1 1 33 33 ASP N N 15 121.055 0.3 . 1 . . . . 33 ASP N . 17365 1 364 . 1 1 34 34 CYS H H 1 9.104 0.03 . 1 . . . . 34 CYS H . 17365 1 365 . 1 1 34 34 CYS HA H 1 4.79 0.03 . 1 . . . . 34 CYS HA . 17365 1 366 . 1 1 34 34 CYS HB2 H 1 3.312 0.03 . 2 . . . . 34 CYS HB2 . 17365 1 367 . 1 1 34 34 CYS HB3 H 1 2.783 0.03 . 2 . . . . 34 CYS HB3 . 17365 1 368 . 1 1 34 34 CYS C C 13 176.707 0.45 . 1 . . . . 34 CYS C . 17365 1 369 . 1 1 34 34 CYS CA C 13 59.001 0.45 . 1 . . . . 34 CYS CA . 17365 1 370 . 1 1 34 34 CYS CB C 13 32.302 0.45 . 1 . . . . 34 CYS CB . 17365 1 371 . 1 1 34 34 CYS N N 15 121.687 0.3 . 1 . . . . 34 CYS N . 17365 1 372 . 1 1 35 35 PHE H H 1 7.702 0.03 . 1 . . . . 35 PHE H . 17365 1 373 . 1 1 35 35 PHE HA H 1 4.42 0.03 . 1 . . . . 35 PHE HA . 17365 1 374 . 1 1 35 35 PHE HB2 H 1 3.325 0.03 . 2 . . . . 35 PHE QB . 17365 1 375 . 1 1 35 35 PHE HB3 H 1 3.325 0.03 . 2 . . . . 35 PHE QB . 17365 1 376 . 1 1 35 35 PHE HD1 H 1 7.069 0.03 . 3 . . . . 35 PHE QD . 17365 1 377 . 1 1 35 35 PHE HD2 H 1 7.069 0.03 . 3 . . . . 35 PHE QD . 17365 1 378 . 1 1 35 35 PHE HE1 H 1 7.292 0.03 . 3 . . . . 35 PHE QE . 17365 1 379 . 1 1 35 35 PHE HE2 H 1 7.292 0.03 . 3 . . . . 35 PHE QE . 17365 1 380 . 1 1 35 35 PHE C C 13 174.905 0.45 . 1 . . . . 35 PHE C . 17365 1 381 . 1 1 35 35 PHE CA C 13 59.14 0.45 . 1 . . . . 35 PHE CA . 17365 1 382 . 1 1 35 35 PHE CB C 13 36.408 0.45 . 1 . . . . 35 PHE CB . 17365 1 383 . 1 1 35 35 PHE CD1 C 13 131.116 0.45 . 3 . . . . 35 PHE CD1 . 17365 1 384 . 1 1 35 35 PHE CE1 C 13 131.236 0.45 . 3 . . . . 35 PHE CE1 . 17365 1 385 . 1 1 35 35 PHE N N 15 118.769 0.3 . 1 . . . . 35 PHE N . 17365 1 386 . 1 1 36 36 LYS H H 1 8.69 0.03 . 1 . . . . 36 LYS H . 17365 1 387 . 1 1 36 36 LYS HA H 1 4.528 0.03 . 1 . . . . 36 LYS HA . 17365 1 388 . 1 1 36 36 LYS HB2 H 1 2.091 0.03 . 2 . . . . 36 LYS QB . 17365 1 389 . 1 1 36 36 LYS HB3 H 1 2.091 0.03 . 2 . . . . 36 LYS QB . 17365 1 390 . 1 1 36 36 LYS HG2 H 1 1.49 0.03 . 2 . . . . 36 LYS QG . 17365 1 391 . 1 1 36 36 LYS HG3 H 1 1.49 0.03 . 2 . . . . 36 LYS QG . 17365 1 392 . 1 1 36 36 LYS HD2 H 1 1.681 0.03 . 2 . . . . 36 LYS QD . 17365 1 393 . 1 1 36 36 LYS HD3 H 1 1.681 0.03 . 2 . . . . 36 LYS QD . 17365 1 394 . 1 1 36 36 LYS HE2 H 1 2.969 0.03 . 2 . . . . 36 LYS QE . 17365 1 395 . 1 1 36 36 LYS HE3 H 1 2.969 0.03 . 2 . . . . 36 LYS QE . 17365 1 396 . 1 1 36 36 LYS C C 13 176.115 0.45 . 1 . . . . 36 LYS C . 17365 1 397 . 1 1 36 36 LYS CA C 13 58.067 0.45 . 1 . . . . 36 LYS CA . 17365 1 398 . 1 1 36 36 LYS CB C 13 33.952 0.45 . 1 . . . . 36 LYS CB . 17365 1 399 . 1 1 36 36 LYS CG C 13 26.631 0.45 . 1 . . . . 36 LYS CG . 17365 1 400 . 1 1 36 36 LYS CE C 13 42.717 0.45 . 1 . . . . 36 LYS CE . 17365 1 401 . 1 1 36 36 LYS N N 15 121.499 0.3 . 1 . . . . 36 LYS N . 17365 1 402 . 1 1 37 37 TRP H H 1 8.554 0.03 . 1 . . . . 37 TRP H . 17365 1 403 . 1 1 37 37 TRP HA H 1 5.007 0.03 . 1 . . . . 37 TRP HA . 17365 1 404 . 1 1 37 37 TRP HB2 H 1 2.685 0.03 . 2 . . . . 37 TRP HB2 . 17365 1 405 . 1 1 37 37 TRP HB3 H 1 3.188 0.03 . 2 . . . . 37 TRP HB3 . 17365 1 406 . 1 1 37 37 TRP HD1 H 1 7.293 0.03 . 1 . . . . 37 TRP HD1 . 17365 1 407 . 1 1 37 37 TRP HE1 H 1 9.944 0.03 . 1 . . . . 37 TRP HE1 . 17365 1 408 . 1 1 37 37 TRP HE3 H 1 7.277 0.03 . 1 . . . . 37 TRP HE3 . 17365 1 409 . 1 1 37 37 TRP HZ2 H 1 7.299 0.03 . 1 . . . . 37 TRP HZ2 . 17365 1 410 . 1 1 37 37 TRP HZ3 H 1 6.845 0.03 . 1 . . . . 37 TRP HZ3 . 17365 1 411 . 1 1 37 37 TRP HH2 H 1 7.006 0.03 . 1 . . . . 37 TRP HH2 . 17365 1 412 . 1 1 37 37 TRP C C 13 177.215 0.45 . 1 . . . . 37 TRP C . 17365 1 413 . 1 1 37 37 TRP CA C 13 56.662 0.45 . 1 . . . . 37 TRP CA . 17365 1 414 . 1 1 37 37 TRP CB C 13 31.719 0.45 . 1 . . . . 37 TRP CB . 17365 1 415 . 1 1 37 37 TRP CD1 C 13 127.507 0.45 . 1 . . . . 37 TRP CD1 . 17365 1 416 . 1 1 37 37 TRP CE3 C 13 120.193 0.45 . 1 . . . . 37 TRP CE3 . 17365 1 417 . 1 1 37 37 TRP CZ2 C 13 114.464 0.45 . 1 . . . . 37 TRP CZ2 . 17365 1 418 . 1 1 37 37 TRP CZ3 C 13 121.767 0.45 . 1 . . . . 37 TRP CZ3 . 17365 1 419 . 1 1 37 37 TRP CH2 C 13 124.254 0.45 . 1 . . . . 37 TRP CH2 . 17365 1 420 . 1 1 37 37 TRP N N 15 120.92 0.3 . 1 . . . . 37 TRP N . 17365 1 421 . 1 1 37 37 TRP NE1 N 15 128.239 0.3 . 1 . . . . 37 TRP NE1 . 17365 1 422 . 1 1 38 38 ARG H H 1 10.07 0.03 . 1 . . . . 38 ARG H . 17365 1 423 . 1 1 38 38 ARG HA H 1 4.553 0.03 . 1 . . . . 38 ARG HA . 17365 1 424 . 1 1 38 38 ARG HB2 H 1 2.011 0.03 . 2 . . . . 38 ARG QB . 17365 1 425 . 1 1 38 38 ARG HB3 H 1 2.011 0.03 . 2 . . . . 38 ARG QB . 17365 1 426 . 1 1 38 38 ARG HG2 H 1 1.668 0.03 . 2 . . . . 38 ARG QG . 17365 1 427 . 1 1 38 38 ARG HG3 H 1 1.668 0.03 . 2 . . . . 38 ARG QG . 17365 1 428 . 1 1 38 38 ARG HD2 H 1 3.184 0.03 . 2 . . . . 38 ARG QD . 17365 1 429 . 1 1 38 38 ARG HD3 H 1 3.184 0.03 . 2 . . . . 38 ARG QD . 17365 1 430 . 1 1 38 38 ARG HE H 1 8.826 0.03 . 1 . . . . 38 ARG HE . 17365 1 431 . 1 1 38 38 ARG C C 13 173.478 0.45 . 1 . . . . 38 ARG C . 17365 1 432 . 1 1 38 38 ARG CA C 13 52.987 0.45 . 1 . . . . 38 ARG CA . 17365 1 433 . 1 1 38 38 ARG CB C 13 33.499 0.45 . 1 . . . . 38 ARG CB . 17365 1 434 . 1 1 38 38 ARG CD C 13 44.718 0.45 . 1 . . . . 38 ARG CD . 17365 1 435 . 1 1 38 38 ARG N N 15 122.094 0.3 . 1 . . . . 38 ARG N . 17365 1 436 . 1 1 38 38 ARG NE N 15 111.822 0.3 . 1 . . . . 38 ARG NE . 17365 1 437 . 1 1 39 39 ARG H H 1 8.188 0.03 . 1 . . . . 39 ARG H . 17365 1 438 . 1 1 39 39 ARG HA H 1 3.773 0.03 . 1 . . . . 39 ARG HA . 17365 1 439 . 1 1 39 39 ARG HB2 H 1 1.015 0.03 . 2 . . . . 39 ARG HB2 . 17365 1 440 . 1 1 39 39 ARG HB3 H 1 0.357 0.03 . 2 . . . . 39 ARG HB3 . 17365 1 441 . 1 1 39 39 ARG HG2 H 1 0.51 0.03 . 2 . . . . 39 ARG HG2 . 17365 1 442 . 1 1 39 39 ARG HG3 H 1 0.379 0.03 . 2 . . . . 39 ARG HG3 . 17365 1 443 . 1 1 39 39 ARG HD2 H 1 2.738 0.03 . 2 . . . . 39 ARG QD . 17365 1 444 . 1 1 39 39 ARG HD3 H 1 2.738 0.03 . 2 . . . . 39 ARG QD . 17365 1 445 . 1 1 39 39 ARG HE H 1 7.365 0.03 . 1 . . . . 39 ARG HE . 17365 1 446 . 1 1 39 39 ARG C C 13 176.524 0.45 . 1 . . . . 39 ARG C . 17365 1 447 . 1 1 39 39 ARG CA C 13 55.492 0.45 . 1 . . . . 39 ARG CA . 17365 1 448 . 1 1 39 39 ARG CB C 13 30.651 0.45 . 1 . . . . 39 ARG CB . 17365 1 449 . 1 1 39 39 ARG CG C 13 26.651 0.45 . 1 . . . . 39 ARG CG . 17365 1 450 . 1 1 39 39 ARG CD C 13 43.465 0.45 . 1 . . . . 39 ARG CD . 17365 1 451 . 1 1 39 39 ARG N N 15 125.822 0.3 . 1 . . . . 39 ARG N . 17365 1 452 . 1 1 39 39 ARG NE N 15 107.41 0.3 . 1 . . . . 39 ARG NE . 17365 1 453 . 1 1 40 40 ILE H H 1 8.674 0.03 . 1 . . . . 40 ILE H . 17365 1 454 . 1 1 40 40 ILE HA H 1 4.873 0.03 . 1 . . . . 40 ILE HA . 17365 1 455 . 1 1 40 40 ILE HB H 1 1.677 0.03 . 1 . . . . 40 ILE HB . 17365 1 456 . 1 1 40 40 ILE HG12 H 1 1.032 0.03 . 2 . . . . 40 ILE HG12 . 17365 1 457 . 1 1 40 40 ILE HG13 H 1 0.662 0.03 . 2 . . . . 40 ILE HG13 . 17365 1 458 . 1 1 40 40 ILE HG21 H 1 0.657 0.03 . 1 . . . . 40 ILE QG2 . 17365 1 459 . 1 1 40 40 ILE HG22 H 1 0.657 0.03 . 1 . . . . 40 ILE QG2 . 17365 1 460 . 1 1 40 40 ILE HG23 H 1 0.657 0.03 . 1 . . . . 40 ILE QG2 . 17365 1 461 . 1 1 40 40 ILE HD11 H 1 0.394 0.03 . 1 . . . . 40 ILE QD1 . 17365 1 462 . 1 1 40 40 ILE HD12 H 1 0.394 0.03 . 1 . . . . 40 ILE QD1 . 17365 1 463 . 1 1 40 40 ILE HD13 H 1 0.394 0.03 . 1 . . . . 40 ILE QD1 . 17365 1 464 . 1 1 40 40 ILE CA C 13 57.785 0.45 . 1 . . . . 40 ILE CA . 17365 1 465 . 1 1 40 40 ILE CB C 13 40.351 0.45 . 1 . . . . 40 ILE CB . 17365 1 466 . 1 1 40 40 ILE CG1 C 13 25.295 0.45 . 1 . . . . 40 ILE CG1 . 17365 1 467 . 1 1 40 40 ILE CG2 C 13 17.468 0.45 . 1 . . . . 40 ILE CG2 . 17365 1 468 . 1 1 40 40 ILE CD1 C 13 13.607 0.45 . 1 . . . . 40 ILE CD1 . 17365 1 469 . 1 1 40 40 ILE N N 15 124.21 0.3 . 1 . . . . 40 ILE N . 17365 1 470 . 1 1 41 41 PRO HA H 1 4.474 0.03 . 1 . . . . 41 PRO HA . 17365 1 471 . 1 1 41 41 PRO HB2 H 1 2.425 0.03 . 2 . . . . 41 PRO HB2 . 17365 1 472 . 1 1 41 41 PRO HB3 H 1 1.874 0.03 . 2 . . . . 41 PRO HB3 . 17365 1 473 . 1 1 41 41 PRO HG2 H 1 1.911 0.03 . 2 . . . . 41 PRO HG2 . 17365 1 474 . 1 1 41 41 PRO HG3 H 1 2.092 0.03 . 2 . . . . 41 PRO HG3 . 17365 1 475 . 1 1 41 41 PRO HD2 H 1 3.491 0.03 . 2 . . . . 41 PRO HD2 . 17365 1 476 . 1 1 41 41 PRO HD3 H 1 3.915 0.03 . 2 . . . . 41 PRO HD3 . 17365 1 477 . 1 1 41 41 PRO C C 13 177.841 0.45 . 1 . . . . 41 PRO C . 17365 1 478 . 1 1 41 41 PRO CA C 13 63.042 0.45 . 1 . . . . 41 PRO CA . 17365 1 479 . 1 1 41 41 PRO CB C 13 31.97 0.45 . 1 . . . . 41 PRO CB . 17365 1 480 . 1 1 41 41 PRO CG C 13 27.864 0.45 . 1 . . . . 41 PRO CG . 17365 1 481 . 1 1 41 41 PRO CD C 13 50.794 0.45 . 1 . . . . 41 PRO CD . 17365 1 482 . 1 1 42 42 ALA H H 1 8.519 0.03 . 1 . . . . 42 ALA H . 17365 1 483 . 1 1 42 42 ALA HA H 1 3.884 0.03 . 1 . . . . 42 ALA HA . 17365 1 484 . 1 1 42 42 ALA HB1 H 1 1.237 0.03 . 1 . . . . 42 ALA QB . 17365 1 485 . 1 1 42 42 ALA HB2 H 1 1.237 0.03 . 1 . . . . 42 ALA QB . 17365 1 486 . 1 1 42 42 ALA HB3 H 1 1.237 0.03 . 1 . . . . 42 ALA QB . 17365 1 487 . 1 1 42 42 ALA C C 13 179.268 0.45 . 1 . . . . 42 ALA C . 17365 1 488 . 1 1 42 42 ALA CA C 13 54.555 0.45 . 1 . . . . 42 ALA CA . 17365 1 489 . 1 1 42 42 ALA CB C 13 18.191 0.45 . 1 . . . . 42 ALA CB . 17365 1 490 . 1 1 42 42 ALA N N 15 126.105 0.3 . 1 . . . . 42 ALA N . 17365 1 491 . 1 1 43 43 SER H H 1 8.308 0.03 . 1 . . . . 43 SER H . 17365 1 492 . 1 1 43 43 SER HA H 1 4.179 0.03 . 1 . . . . 43 SER HA . 17365 1 493 . 1 1 43 43 SER HB2 H 1 3.86 0.03 . 2 . . . . 43 SER HB2 . 17365 1 494 . 1 1 43 43 SER HB3 H 1 3.94 0.03 . 2 . . . . 43 SER HB3 . 17365 1 495 . 1 1 43 43 SER C C 13 175.807 0.45 . 1 . . . . 43 SER C . 17365 1 496 . 1 1 43 43 SER CA C 13 59.727 0.45 . 1 . . . . 43 SER CA . 17365 1 497 . 1 1 43 43 SER CB C 13 62.666 0.45 . 1 . . . . 43 SER CB . 17365 1 498 . 1 1 43 43 SER N N 15 111.263 0.3 . 1 . . . . 43 SER N . 17365 1 499 . 1 1 44 44 VAL H H 1 7.609 0.03 . 1 . . . . 44 VAL H . 17365 1 500 . 1 1 44 44 VAL HA H 1 4.179 0.03 . 1 . . . . 44 VAL HA . 17365 1 501 . 1 1 44 44 VAL HB H 1 2.204 0.03 . 1 . . . . 44 VAL HB . 17365 1 502 . 1 1 44 44 VAL HG11 H 1 0.962 0.03 . 2 . . . . 44 VAL QG1 . 17365 1 503 . 1 1 44 44 VAL HG12 H 1 0.962 0.03 . 2 . . . . 44 VAL QG1 . 17365 1 504 . 1 1 44 44 VAL HG13 H 1 0.962 0.03 . 2 . . . . 44 VAL QG1 . 17365 1 505 . 1 1 44 44 VAL HG21 H 1 1.015 0.03 . 2 . . . . 44 VAL QG2 . 17365 1 506 . 1 1 44 44 VAL HG22 H 1 1.015 0.03 . 2 . . . . 44 VAL QG2 . 17365 1 507 . 1 1 44 44 VAL HG23 H 1 1.015 0.03 . 2 . . . . 44 VAL QG2 . 17365 1 508 . 1 1 44 44 VAL C C 13 177.559 0.45 . 1 . . . . 44 VAL C . 17365 1 509 . 1 1 44 44 VAL CA C 13 62.979 0.45 . 1 . . . . 44 VAL CA . 17365 1 510 . 1 1 44 44 VAL CB C 13 32.221 0.45 . 1 . . . . 44 VAL CB . 17365 1 511 . 1 1 44 44 VAL CG1 C 13 21.319 0.45 . 2 . . . . 44 VAL CG1 . 17365 1 512 . 1 1 44 44 VAL CG2 C 13 21.521 0.45 . 2 . . . . 44 VAL CG2 . 17365 1 513 . 1 1 44 44 VAL N N 15 119.794 0.3 . 1 . . . . 44 VAL N . 17365 1 514 . 1 1 45 45 VAL H H 1 7.424 0.03 . 1 . . . . 45 VAL H . 17365 1 515 . 1 1 45 45 VAL HA H 1 3.616 0.03 . 1 . . . . 45 VAL HA . 17365 1 516 . 1 1 45 45 VAL HB H 1 1.957 0.03 . 1 . . . . 45 VAL HB . 17365 1 517 . 1 1 45 45 VAL HG11 H 1 0.865 0.03 . 2 . . . . 45 VAL QG1 . 17365 1 518 . 1 1 45 45 VAL HG12 H 1 0.865 0.03 . 2 . . . . 45 VAL QG1 . 17365 1 519 . 1 1 45 45 VAL HG13 H 1 0.865 0.03 . 2 . . . . 45 VAL QG1 . 17365 1 520 . 1 1 45 45 VAL HG21 H 1 0.858 0.03 . 2 . . . . 45 VAL QG2 . 17365 1 521 . 1 1 45 45 VAL HG22 H 1 0.858 0.03 . 2 . . . . 45 VAL QG2 . 17365 1 522 . 1 1 45 45 VAL HG23 H 1 0.858 0.03 . 2 . . . . 45 VAL QG2 . 17365 1 523 . 1 1 45 45 VAL C C 13 177.103 0.45 . 1 . . . . 45 VAL C . 17365 1 524 . 1 1 45 45 VAL CA C 13 65.202 0.45 . 1 . . . . 45 VAL CA . 17365 1 525 . 1 1 45 45 VAL CB C 13 31.764 0.45 . 1 . . . . 45 VAL CB . 17365 1 526 . 1 1 45 45 VAL CG1 C 13 20.751 0.45 . 2 . . . . 45 VAL CG1 . 17365 1 527 . 1 1 45 45 VAL CG2 C 13 22.211 0.45 . 2 . . . . 45 VAL CG2 . 17365 1 528 . 1 1 45 45 VAL N N 15 121.799 0.3 . 1 . . . . 45 VAL N . 17365 1 529 . 1 1 46 46 GLY H H 1 8.366 0.03 . 1 . . . . 46 GLY H . 17365 1 530 . 1 1 46 46 GLY HA2 H 1 3.915 0.03 . 2 . . . . 46 GLY HA2 . 17365 1 531 . 1 1 46 46 GLY HA3 H 1 3.991 0.03 . 2 . . . . 46 GLY HA3 . 17365 1 532 . 1 1 46 46 GLY C C 13 174.518 0.45 . 1 . . . . 46 GLY C . 17365 1 533 . 1 1 46 46 GLY CA C 13 45.94 0.45 . 1 . . . . 46 GLY CA . 17365 1 534 . 1 1 46 46 GLY N N 15 108.605 0.3 . 1 . . . . 46 GLY N . 17365 1 535 . 1 1 47 47 SER H H 1 7.914 0.03 . 1 . . . . 47 SER H . 17365 1 536 . 1 1 47 47 SER HA H 1 4.55 0.03 . 1 . . . . 47 SER HA . 17365 1 537 . 1 1 47 47 SER HB2 H 1 3.981 0.03 . 2 . . . . 47 SER QB . 17365 1 538 . 1 1 47 47 SER HB3 H 1 3.981 0.03 . 2 . . . . 47 SER QB . 17365 1 539 . 1 1 47 47 SER C C 13 174.492 0.45 . 1 . . . . 47 SER C . 17365 1 540 . 1 1 47 47 SER CA C 13 58.565 0.45 . 1 . . . . 47 SER CA . 17365 1 541 . 1 1 47 47 SER CB C 13 64.228 0.45 . 1 . . . . 47 SER CB . 17365 1 542 . 1 1 47 47 SER N N 15 114.76 0.3 . 1 . . . . 47 SER N . 17365 1 543 . 1 1 48 48 ILE H H 1 7.71 0.03 . 1 . . . . 48 ILE H . 17365 1 544 . 1 1 48 48 ILE HA H 1 4.169 0.03 . 1 . . . . 48 ILE HA . 17365 1 545 . 1 1 48 48 ILE HB H 1 1.892 0.03 . 1 . . . . 48 ILE HB . 17365 1 546 . 1 1 48 48 ILE HG12 H 1 1.153 0.03 . 2 . . . . 48 ILE HG12 . 17365 1 547 . 1 1 48 48 ILE HG13 H 1 1.568 0.03 . 2 . . . . 48 ILE HG13 . 17365 1 548 . 1 1 48 48 ILE HG21 H 1 0.872 0.03 . 1 . . . . 48 ILE QG2 . 17365 1 549 . 1 1 48 48 ILE HG22 H 1 0.872 0.03 . 1 . . . . 48 ILE QG2 . 17365 1 550 . 1 1 48 48 ILE HG23 H 1 0.872 0.03 . 1 . . . . 48 ILE QG2 . 17365 1 551 . 1 1 48 48 ILE HD11 H 1 0.697 0.03 . 1 . . . . 48 ILE QD1 . 17365 1 552 . 1 1 48 48 ILE HD12 H 1 0.697 0.03 . 1 . . . . 48 ILE QD1 . 17365 1 553 . 1 1 48 48 ILE HD13 H 1 0.697 0.03 . 1 . . . . 48 ILE QD1 . 17365 1 554 . 1 1 48 48 ILE C C 13 175.85 0.45 . 1 . . . . 48 ILE C . 17365 1 555 . 1 1 48 48 ILE CA C 13 61.66 0.45 . 1 . . . . 48 ILE CA . 17365 1 556 . 1 1 48 48 ILE CB C 13 38.386 0.45 . 1 . . . . 48 ILE CB . 17365 1 557 . 1 1 48 48 ILE CG1 C 13 27.329 0.45 . 1 . . . . 48 ILE CG1 . 17365 1 558 . 1 1 48 48 ILE CG2 C 13 17.423 0.45 . 1 . . . . 48 ILE CG2 . 17365 1 559 . 1 1 48 48 ILE CD1 C 13 13.304 0.45 . 1 . . . . 48 ILE CD1 . 17365 1 560 . 1 1 48 48 ILE N N 15 123.473 0.3 . 1 . . . . 48 ILE N . 17365 1 561 . 1 1 49 49 ASP H H 1 8.457 0.03 . 1 . . . . 49 ASP H . 17365 1 562 . 1 1 49 49 ASP HA H 1 4.656 0.03 . 1 . . . . 49 ASP HA . 17365 1 563 . 1 1 49 49 ASP HB2 H 1 2.791 0.03 . 2 . . . . 49 ASP QB . 17365 1 564 . 1 1 49 49 ASP HB3 H 1 2.791 0.03 . 2 . . . . 49 ASP QB . 17365 1 565 . 1 1 49 49 ASP C C 13 177.171 0.45 . 1 . . . . 49 ASP C . 17365 1 566 . 1 1 49 49 ASP CA C 13 54.019 0.45 . 1 . . . . 49 ASP CA . 17365 1 567 . 1 1 49 49 ASP CB C 13 41.643 0.45 . 1 . . . . 49 ASP CB . 17365 1 568 . 1 1 49 49 ASP N N 15 125.603 0.3 . 1 . . . . 49 ASP N . 17365 1 569 . 1 1 50 50 GLU H H 1 8.682 0.03 . 1 . . . . 50 GLU H . 17365 1 570 . 1 1 50 50 GLU HA H 1 4.228 0.03 . 1 . . . . 50 GLU HA . 17365 1 571 . 1 1 50 50 GLU HB2 H 1 2.081 0.03 . 2 . . . . 50 GLU HB2 . 17365 1 572 . 1 1 50 50 GLU HB3 H 1 2.119 0.03 . 2 . . . . 50 GLU HB3 . 17365 1 573 . 1 1 50 50 GLU HG2 H 1 2.344 0.03 . 2 . . . . 50 GLU QG . 17365 1 574 . 1 1 50 50 GLU HG3 H 1 2.344 0.03 . 2 . . . . 50 GLU QG . 17365 1 575 . 1 1 50 50 GLU C C 13 176.933 0.45 . 1 . . . . 50 GLU C . 17365 1 576 . 1 1 50 50 GLU CA C 13 58.244 0.45 . 1 . . . . 50 GLU CA . 17365 1 577 . 1 1 50 50 GLU CB C 13 29.694 0.45 . 1 . . . . 50 GLU CB . 17365 1 578 . 1 1 50 50 GLU CG C 13 36.467 0.45 . 1 . . . . 50 GLU CG . 17365 1 579 . 1 1 50 50 GLU N N 15 121.871 0.3 . 1 . . . . 50 GLU N . 17365 1 580 . 1 1 51 51 SER H H 1 8.447 0.03 . 1 . . . . 51 SER H . 17365 1 581 . 1 1 51 51 SER HA H 1 4.532 0.03 . 1 . . . . 51 SER HA . 17365 1 582 . 1 1 51 51 SER HB2 H 1 4.016 0.03 . 2 . . . . 51 SER HB2 . 17365 1 583 . 1 1 51 51 SER HB3 H 1 3.957 0.03 . 2 . . . . 51 SER HB3 . 17365 1 584 . 1 1 51 51 SER C C 13 174.591 0.45 . 1 . . . . 51 SER C . 17365 1 585 . 1 1 51 51 SER CA C 13 58.793 0.45 . 1 . . . . 51 SER CA . 17365 1 586 . 1 1 51 51 SER CB C 13 63.947 0.45 . 1 . . . . 51 SER CB . 17365 1 587 . 1 1 51 51 SER N N 15 114.757 0.3 . 1 . . . . 51 SER N . 17365 1 588 . 1 1 52 52 SER H H 1 7.99 0.03 . 1 . . . . 52 SER H . 17365 1 589 . 1 1 52 52 SER HA H 1 4.536 0.03 . 1 . . . . 52 SER HA . 17365 1 590 . 1 1 52 52 SER HB2 H 1 3.953 0.03 . 2 . . . . 52 SER QB . 17365 1 591 . 1 1 52 52 SER HB3 H 1 3.953 0.03 . 2 . . . . 52 SER QB . 17365 1 592 . 1 1 52 52 SER C C 13 173.508 0.45 . 1 . . . . 52 SER C . 17365 1 593 . 1 1 52 52 SER CA C 13 58.412 0.45 . 1 . . . . 52 SER CA . 17365 1 594 . 1 1 52 52 SER CB C 13 64.273 0.45 . 1 . . . . 52 SER CB . 17365 1 595 . 1 1 52 52 SER N N 15 118.326 0.3 . 1 . . . . 52 SER N . 17365 1 596 . 1 1 53 53 ARG H H 1 8.315 0.03 . 1 . . . . 53 ARG H . 17365 1 597 . 1 1 53 53 ARG HA H 1 4.56 0.03 . 1 . . . . 53 ARG HA . 17365 1 598 . 1 1 53 53 ARG HB2 H 1 1.726 0.03 . 2 . . . . 53 ARG QB . 17365 1 599 . 1 1 53 53 ARG HB3 H 1 1.726 0.03 . 2 . . . . 53 ARG QB . 17365 1 600 . 1 1 53 53 ARG HG2 H 1 1.484 0.03 . 2 . . . . 53 ARG QG . 17365 1 601 . 1 1 53 53 ARG HG3 H 1 1.484 0.03 . 2 . . . . 53 ARG QG . 17365 1 602 . 1 1 53 53 ARG HD2 H 1 3.146 0.03 . 2 . . . . 53 ARG HD2 . 17365 1 603 . 1 1 53 53 ARG HD3 H 1 3.237 0.03 . 2 . . . . 53 ARG HD3 . 17365 1 604 . 1 1 53 53 ARG C C 13 175.032 0.45 . 1 . . . . 53 ARG C . 17365 1 605 . 1 1 53 53 ARG CA C 13 55.781 0.45 . 1 . . . . 53 ARG CA . 17365 1 606 . 1 1 53 53 ARG CB C 13 31.561 0.45 . 1 . . . . 53 ARG CB . 17365 1 607 . 1 1 53 53 ARG CG C 13 27.911 0.45 . 1 . . . . 53 ARG CG . 17365 1 608 . 1 1 53 53 ARG CD C 13 43.358 0.45 . 1 . . . . 53 ARG CD . 17365 1 609 . 1 1 53 53 ARG N N 15 122.755 0.3 . 1 . . . . 53 ARG N . 17365 1 610 . 1 1 54 54 TRP H H 1 9.192 0.03 . 1 . . . . 54 TRP H . 17365 1 611 . 1 1 54 54 TRP HA H 1 4.377 0.03 . 1 . . . . 54 TRP HA . 17365 1 612 . 1 1 54 54 TRP HB2 H 1 3.33 0.03 . 2 . . . . 54 TRP HB2 . 17365 1 613 . 1 1 54 54 TRP HB3 H 1 2.899 0.03 . 2 . . . . 54 TRP HB3 . 17365 1 614 . 1 1 54 54 TRP HD1 H 1 7.23 0.03 . 1 . . . . 54 TRP HD1 . 17365 1 615 . 1 1 54 54 TRP HE1 H 1 10.053 0.03 . 1 . . . . 54 TRP HE1 . 17365 1 616 . 1 1 54 54 TRP HE3 H 1 7.185 0.03 . 1 . . . . 54 TRP HE3 . 17365 1 617 . 1 1 54 54 TRP HZ2 H 1 6.785 0.03 . 1 . . . . 54 TRP HZ2 . 17365 1 618 . 1 1 54 54 TRP HZ3 H 1 6.605 0.03 . 1 . . . . 54 TRP HZ3 . 17365 1 619 . 1 1 54 54 TRP HH2 H 1 6.775 0.03 . 1 . . . . 54 TRP HH2 . 17365 1 620 . 1 1 54 54 TRP C C 13 174.293 0.45 . 1 . . . . 54 TRP C . 17365 1 621 . 1 1 54 54 TRP CA C 13 59.878 0.45 . 1 . . . . 54 TRP CA . 17365 1 622 . 1 1 54 54 TRP CB C 13 31.967 0.45 . 1 . . . . 54 TRP CB . 17365 1 623 . 1 1 54 54 TRP CD1 C 13 126.174 0.45 . 1 . . . . 54 TRP CD1 . 17365 1 624 . 1 1 54 54 TRP CE3 C 13 121.856 0.45 . 1 . . . . 54 TRP CE3 . 17365 1 625 . 1 1 54 54 TRP CZ2 C 13 112.805 0.45 . 1 . . . . 54 TRP CZ2 . 17365 1 626 . 1 1 54 54 TRP CZ3 C 13 120.227 0.45 . 1 . . . . 54 TRP CZ3 . 17365 1 627 . 1 1 54 54 TRP CH2 C 13 122.72 0.45 . 1 . . . . 54 TRP CH2 . 17365 1 628 . 1 1 54 54 TRP N N 15 129.055 0.3 . 1 . . . . 54 TRP N . 17365 1 629 . 1 1 54 54 TRP NE1 N 15 127.881 0.3 . 1 . . . . 54 TRP NE1 . 17365 1 630 . 1 1 55 55 ILE H H 1 7.025 0.03 . 1 . . . . 55 ILE H . 17365 1 631 . 1 1 55 55 ILE HA H 1 5.682 0.03 . 1 . . . . 55 ILE HA . 17365 1 632 . 1 1 55 55 ILE HB H 1 1.86 0.03 . 1 . . . . 55 ILE HB . 17365 1 633 . 1 1 55 55 ILE HG12 H 1 0.766 0.03 . 2 . . . . 55 ILE QG1 . 17365 1 634 . 1 1 55 55 ILE HG13 H 1 0.766 0.03 . 2 . . . . 55 ILE QG1 . 17365 1 635 . 1 1 55 55 ILE HG21 H 1 0.775 0.03 . 1 . . . . 55 ILE QG2 . 17365 1 636 . 1 1 55 55 ILE HG22 H 1 0.775 0.03 . 1 . . . . 55 ILE QG2 . 17365 1 637 . 1 1 55 55 ILE HG23 H 1 0.775 0.03 . 1 . . . . 55 ILE QG2 . 17365 1 638 . 1 1 55 55 ILE HD11 H 1 0.758 0.03 . 1 . . . . 55 ILE QD1 . 17365 1 639 . 1 1 55 55 ILE HD12 H 1 0.758 0.03 . 1 . . . . 55 ILE QD1 . 17365 1 640 . 1 1 55 55 ILE HD13 H 1 0.758 0.03 . 1 . . . . 55 ILE QD1 . 17365 1 641 . 1 1 55 55 ILE C C 13 175.625 0.45 . 1 . . . . 55 ILE C . 17365 1 642 . 1 1 55 55 ILE CA C 13 58.122 0.45 . 1 . . . . 55 ILE CA . 17365 1 643 . 1 1 55 55 ILE CB C 13 42.876 0.45 . 1 . . . . 55 ILE CB . 17365 1 644 . 1 1 55 55 ILE CG1 C 13 25.1 0.45 . 1 . . . . 55 ILE CG1 . 17365 1 645 . 1 1 55 55 ILE CG2 C 13 18.22 0.45 . 1 . . . . 55 ILE CG2 . 17365 1 646 . 1 1 55 55 ILE CD1 C 13 13.718 0.45 . 1 . . . . 55 ILE CD1 . 17365 1 647 . 1 1 55 55 ILE N N 15 119.387 0.3 . 1 . . . . 55 ILE N . 17365 1 648 . 1 1 56 56 CYS H H 1 8.603 0.03 . 1 . . . . 56 CYS H . 17365 1 649 . 1 1 56 56 CYS HA H 1 3.563 0.03 . 1 . . . . 56 CYS HA . 17365 1 650 . 1 1 56 56 CYS HB2 H 1 2.745 0.03 . 2 . . . . 56 CYS HB2 . 17365 1 651 . 1 1 56 56 CYS HB3 H 1 2.882 0.03 . 2 . . . . 56 CYS HB3 . 17365 1 652 . 1 1 56 56 CYS C C 13 177.372 0.45 . 1 . . . . 56 CYS C . 17365 1 653 . 1 1 56 56 CYS CA C 13 66.706 0.45 . 1 . . . . 56 CYS CA . 17365 1 654 . 1 1 56 56 CYS CB C 13 29.748 0.45 . 1 . . . . 56 CYS CB . 17365 1 655 . 1 1 56 56 CYS N N 15 121.275 0.3 . 1 . . . . 56 CYS N . 17365 1 656 . 1 1 57 57 MET H H 1 7.688 0.03 . 1 . . . . 57 MET H . 17365 1 657 . 1 1 57 57 MET HA H 1 4.321 0.03 . 1 . . . . 57 MET HA . 17365 1 658 . 1 1 57 57 MET HB2 H 1 1.961 0.03 . 2 . . . . 57 MET QB . 17365 1 659 . 1 1 57 57 MET HB3 H 1 1.961 0.03 . 2 . . . . 57 MET QB . 17365 1 660 . 1 1 57 57 MET HG2 H 1 2.522 0.03 . 2 . . . . 57 MET QG . 17365 1 661 . 1 1 57 57 MET HG3 H 1 2.522 0.03 . 2 . . . . 57 MET QG . 17365 1 662 . 1 1 57 57 MET HE1 H 1 2.087 0.03 . 1 . . . . 57 MET QE . 17365 1 663 . 1 1 57 57 MET HE2 H 1 2.087 0.03 . 1 . . . . 57 MET QE . 17365 1 664 . 1 1 57 57 MET HE3 H 1 2.087 0.03 . 1 . . . . 57 MET QE . 17365 1 665 . 1 1 57 57 MET C C 13 176.433 0.45 . 1 . . . . 57 MET C . 17365 1 666 . 1 1 57 57 MET CA C 13 57.885 0.45 . 1 . . . . 57 MET CA . 17365 1 667 . 1 1 57 57 MET CB C 13 32.386 0.45 . 1 . . . . 57 MET CB . 17365 1 668 . 1 1 57 57 MET CG C 13 31.587 0.45 . 1 . . . . 57 MET CG . 17365 1 669 . 1 1 57 57 MET CE C 13 16.921 0.45 . 1 . . . . 57 MET CE . 17365 1 670 . 1 1 57 57 MET N N 15 113.172 0.3 . 1 . . . . 57 MET N . 17365 1 671 . 1 1 58 58 ASN H H 1 8.186 0.03 . 1 . . . . 58 ASN H . 17365 1 672 . 1 1 58 58 ASN HA H 1 4.428 0.03 . 1 . . . . 58 ASN HA . 17365 1 673 . 1 1 58 58 ASN HB2 H 1 1.728 0.03 . 2 . . . . 58 ASN HB2 . 17365 1 674 . 1 1 58 58 ASN HB3 H 1 2.742 0.03 . 2 . . . . 58 ASN HB3 . 17365 1 675 . 1 1 58 58 ASN HD21 H 1 6.783 0.03 . 2 . . . . 58 ASN HD21 . 17365 1 676 . 1 1 58 58 ASN HD22 H 1 6.873 0.03 . 2 . . . . 58 ASN HD22 . 17365 1 677 . 1 1 58 58 ASN CB C 13 38.447 0.45 . 1 . . . . 58 ASN CB . 17365 1 678 . 1 1 58 58 ASN N N 15 116.715 0.3 . 1 . . . . 58 ASN N . 17365 1 679 . 1 1 58 58 ASN ND2 N 15 107.245 0.3 . 1 . . . . 58 ASN ND2 . 17365 1 680 . 1 1 59 59 ASN H H 1 8.103 0.03 . 1 . . . . 59 ASN H . 17365 1 681 . 1 1 59 59 ASN HA H 1 4.613 0.03 . 1 . . . . 59 ASN HA . 17365 1 682 . 1 1 59 59 ASN HB2 H 1 3.336 0.03 . 2 . . . . 59 ASN HB2 . 17365 1 683 . 1 1 59 59 ASN HB3 H 1 3.035 0.03 . 2 . . . . 59 ASN HB3 . 17365 1 684 . 1 1 59 59 ASN HD21 H 1 8.381 0.03 . 2 . . . . 59 ASN HD21 . 17365 1 685 . 1 1 59 59 ASN HD22 H 1 7.702 0.03 . 2 . . . . 59 ASN HD22 . 17365 1 686 . 1 1 59 59 ASN C C 13 175.697 0.45 . 1 . . . . 59 ASN C . 17365 1 687 . 1 1 59 59 ASN CA C 13 53.895 0.45 . 1 . . . . 59 ASN CA . 17365 1 688 . 1 1 59 59 ASN CB C 13 38.943 0.45 . 1 . . . . 59 ASN CB . 17365 1 689 . 1 1 59 59 ASN N N 15 121.766 0.3 . 1 . . . . 59 ASN N . 17365 1 690 . 1 1 59 59 ASN ND2 N 15 111.789 0.3 . 1 . . . . 59 ASN ND2 . 17365 1 691 . 1 1 60 60 SER H H 1 8.777 0.03 . 1 . . . . 60 SER H . 17365 1 692 . 1 1 60 60 SER HA H 1 4.299 0.03 . 1 . . . . 60 SER HA . 17365 1 693 . 1 1 60 60 SER HB2 H 1 4.055 0.03 . 2 . . . . 60 SER HB2 . 17365 1 694 . 1 1 60 60 SER HB3 H 1 4.02 0.03 . 2 . . . . 60 SER HB3 . 17365 1 695 . 1 1 60 60 SER C C 13 174.617 0.45 . 1 . . . . 60 SER C . 17365 1 696 . 1 1 60 60 SER CA C 13 60.042 0.45 . 1 . . . . 60 SER CA . 17365 1 697 . 1 1 60 60 SER CB C 13 63.192 0.45 . 1 . . . . 60 SER CB . 17365 1 698 . 1 1 60 60 SER N N 15 121.841 0.3 . 1 . . . . 60 SER N . 17365 1 699 . 1 1 61 61 ASP H H 1 7.807 0.03 . 1 . . . . 61 ASP H . 17365 1 700 . 1 1 61 61 ASP HA H 1 4.682 0.03 . 1 . . . . 61 ASP HA . 17365 1 701 . 1 1 61 61 ASP HB2 H 1 2.669 0.03 . 2 . . . . 61 ASP HB2 . 17365 1 702 . 1 1 61 61 ASP HB3 H 1 3.204 0.03 . 2 . . . . 61 ASP HB3 . 17365 1 703 . 1 1 61 61 ASP C C 13 176.705 0.45 . 1 . . . . 61 ASP C . 17365 1 704 . 1 1 61 61 ASP CA C 13 52.81 0.45 . 1 . . . . 61 ASP CA . 17365 1 705 . 1 1 61 61 ASP CB C 13 40.426 0.45 . 1 . . . . 61 ASP CB . 17365 1 706 . 1 1 61 61 ASP N N 15 121.382 0.3 . 1 . . . . 61 ASP N . 17365 1 707 . 1 1 62 62 LYS H H 1 8.492 0.03 . 1 . . . . 62 LYS H . 17365 1 708 . 1 1 62 62 LYS HA H 1 4.035 0.03 . 1 . . . . 62 LYS HA . 17365 1 709 . 1 1 62 62 LYS HB2 H 1 1.854 0.03 . 2 . . . . 62 LYS HB2 . 17365 1 710 . 1 1 62 62 LYS HB3 H 1 1.963 0.03 . 2 . . . . 62 LYS HB3 . 17365 1 711 . 1 1 62 62 LYS HG2 H 1 1.584 0.03 . 2 . . . . 62 LYS QG . 17365 1 712 . 1 1 62 62 LYS HG3 H 1 1.584 0.03 . 2 . . . . 62 LYS QG . 17365 1 713 . 1 1 62 62 LYS HD2 H 1 1.606 0.03 . 2 . . . . 62 LYS QD . 17365 1 714 . 1 1 62 62 LYS HD3 H 1 1.606 0.03 . 2 . . . . 62 LYS QD . 17365 1 715 . 1 1 62 62 LYS HE2 H 1 3.023 0.03 . 2 . . . . 62 LYS QE . 17365 1 716 . 1 1 62 62 LYS HE3 H 1 3.023 0.03 . 2 . . . . 62 LYS QE . 17365 1 717 . 1 1 62 62 LYS C C 13 178.026 0.45 . 1 . . . . 62 LYS C . 17365 1 718 . 1 1 62 62 LYS CA C 13 57.16 0.45 . 1 . . . . 62 LYS CA . 17365 1 719 . 1 1 62 62 LYS CB C 13 31.054 0.45 . 1 . . . . 62 LYS CB . 17365 1 720 . 1 1 62 62 LYS CG C 13 24.373 0.45 . 1 . . . . 62 LYS CG . 17365 1 721 . 1 1 62 62 LYS CD C 13 28.774 0.45 . 1 . . . . 62 LYS CD . 17365 1 722 . 1 1 62 62 LYS CE C 13 42.424 0.45 . 1 . . . . 62 LYS CE . 17365 1 723 . 1 1 62 62 LYS N N 15 124.064 0.3 . 1 . . . . 62 LYS N . 17365 1 724 . 1 1 63 63 ARG H H 1 8.041 0.03 . 1 . . . . 63 ARG H . 17365 1 725 . 1 1 63 63 ARG HA H 1 3.888 0.03 . 1 . . . . 63 ARG HA . 17365 1 726 . 1 1 63 63 ARG HB2 H 1 1.029 0.03 . 2 . . . . 63 ARG HB2 . 17365 1 727 . 1 1 63 63 ARG HB3 H 1 1.531 0.03 . 2 . . . . 63 ARG HB3 . 17365 1 728 . 1 1 63 63 ARG HG2 H 1 1.439 0.03 . 2 . . . . 63 ARG HG2 . 17365 1 729 . 1 1 63 63 ARG HG3 H 1 1.583 0.03 . 2 . . . . 63 ARG HG3 . 17365 1 730 . 1 1 63 63 ARG HD2 H 1 3.258 0.03 . 2 . . . . 63 ARG QD . 17365 1 731 . 1 1 63 63 ARG HD3 H 1 3.258 0.03 . 2 . . . . 63 ARG QD . 17365 1 732 . 1 1 63 63 ARG C C 13 176.952 0.45 . 1 . . . . 63 ARG C . 17365 1 733 . 1 1 63 63 ARG CA C 13 58.187 0.45 . 1 . . . . 63 ARG CA . 17365 1 734 . 1 1 63 63 ARG CB C 13 30.731 0.45 . 1 . . . . 63 ARG CB . 17365 1 735 . 1 1 63 63 ARG CG C 13 26.219 0.45 . 1 . . . . 63 ARG CG . 17365 1 736 . 1 1 63 63 ARG CD C 13 43.325 0.45 . 1 . . . . 63 ARG CD . 17365 1 737 . 1 1 63 63 ARG N N 15 118.443 0.3 . 1 . . . . 63 ARG N . 17365 1 738 . 1 1 64 64 PHE H H 1 7.538 0.03 . 1 . . . . 64 PHE H . 17365 1 739 . 1 1 64 64 PHE HA H 1 4.834 0.03 . 1 . . . . 64 PHE HA . 17365 1 740 . 1 1 64 64 PHE HB2 H 1 2.575 0.03 . 2 . . . . 64 PHE HB2 . 17365 1 741 . 1 1 64 64 PHE HB3 H 1 3.558 0.03 . 2 . . . . 64 PHE HB3 . 17365 1 742 . 1 1 64 64 PHE HD1 H 1 7.291 0.03 . 3 . . . . 64 PHE QD . 17365 1 743 . 1 1 64 64 PHE HD2 H 1 7.291 0.03 . 3 . . . . 64 PHE QD . 17365 1 744 . 1 1 64 64 PHE HE1 H 1 7.249 0.03 . 3 . . . . 64 PHE QE . 17365 1 745 . 1 1 64 64 PHE HE2 H 1 7.249 0.03 . 3 . . . . 64 PHE QE . 17365 1 746 . 1 1 64 64 PHE C C 13 175.547 0.45 . 1 . . . . 64 PHE C . 17365 1 747 . 1 1 64 64 PHE CA C 13 55.698 0.45 . 1 . . . . 64 PHE CA . 17365 1 748 . 1 1 64 64 PHE CB C 13 40.987 0.45 . 1 . . . . 64 PHE CB . 17365 1 749 . 1 1 64 64 PHE CD1 C 13 129.464 0.45 . 3 . . . . 64 PHE CD1 . 17365 1 750 . 1 1 64 64 PHE CE1 C 13 129.717 0.45 . 3 . . . . 64 PHE CE1 . 17365 1 751 . 1 1 64 64 PHE N N 15 114.183 0.3 . 1 . . . . 64 PHE N . 17365 1 752 . 1 1 65 65 ALA H H 1 7.302 0.03 . 1 . . . . 65 ALA H . 17365 1 753 . 1 1 65 65 ALA HA H 1 5.013 0.03 . 1 . . . . 65 ALA HA . 17365 1 754 . 1 1 65 65 ALA HB1 H 1 1.433 0.03 . 1 . . . . 65 ALA QB . 17365 1 755 . 1 1 65 65 ALA HB2 H 1 1.433 0.03 . 1 . . . . 65 ALA QB . 17365 1 756 . 1 1 65 65 ALA HB3 H 1 1.433 0.03 . 1 . . . . 65 ALA QB . 17365 1 757 . 1 1 65 65 ALA C C 13 175.07 0.45 . 1 . . . . 65 ALA C . 17365 1 758 . 1 1 65 65 ALA CA C 13 51.445 0.45 . 1 . . . . 65 ALA CA . 17365 1 759 . 1 1 65 65 ALA CB C 13 19.602 0.45 . 1 . . . . 65 ALA CB . 17365 1 760 . 1 1 65 65 ALA N N 15 122.907 0.3 . 1 . . . . 65 ALA N . 17365 1 761 . 1 1 66 66 ASP H H 1 7.274 0.03 . 1 . . . . 66 ASP H . 17365 1 762 . 1 1 66 66 ASP HA H 1 4.663 0.03 . 1 . . . . 66 ASP HA . 17365 1 763 . 1 1 66 66 ASP HB2 H 1 2.527 0.03 . 2 . . . . 66 ASP HB2 . 17365 1 764 . 1 1 66 66 ASP HB3 H 1 2.782 0.03 . 2 . . . . 66 ASP HB3 . 17365 1 765 . 1 1 66 66 ASP C C 13 175.918 0.45 . 1 . . . . 66 ASP C . 17365 1 766 . 1 1 66 66 ASP CA C 13 53.996 0.45 . 1 . . . . 66 ASP CA . 17365 1 767 . 1 1 66 66 ASP CB C 13 45.262 0.45 . 1 . . . . 66 ASP CB . 17365 1 768 . 1 1 66 66 ASP N N 15 114.147 0.3 . 1 . . . . 66 ASP N . 17365 1 769 . 1 1 67 67 CYS H H 1 8.537 0.03 . 1 . . . . 67 CYS H . 17365 1 770 . 1 1 67 67 CYS HA H 1 4.921 0.03 . 1 . . . . 67 CYS HA . 17365 1 771 . 1 1 67 67 CYS HB2 H 1 3.017 0.03 . 2 . . . . 67 CYS HB2 . 17365 1 772 . 1 1 67 67 CYS HB3 H 1 2.66 0.03 . 2 . . . . 67 CYS HB3 . 17365 1 773 . 1 1 67 67 CYS C C 13 175.728 0.45 . 1 . . . . 67 CYS C . 17365 1 774 . 1 1 67 67 CYS CA C 13 62.764 0.45 . 1 . . . . 67 CYS CA . 17365 1 775 . 1 1 67 67 CYS CB C 13 30.808 0.45 . 1 . . . . 67 CYS CB . 17365 1 776 . 1 1 67 67 CYS N N 15 124.963 0.3 . 1 . . . . 67 CYS N . 17365 1 777 . 1 1 68 68 SER H H 1 8.86 0.03 . 1 . . . . 68 SER H . 17365 1 778 . 1 1 68 68 SER HA H 1 4.309 0.03 . 1 . . . . 68 SER HA . 17365 1 779 . 1 1 68 68 SER HB2 H 1 3.858 0.03 . 2 . . . . 68 SER HB2 . 17365 1 780 . 1 1 68 68 SER HB3 H 1 3.975 0.03 . 2 . . . . 68 SER HB3 . 17365 1 781 . 1 1 68 68 SER C C 13 176.044 0.45 . 1 . . . . 68 SER C . 17365 1 782 . 1 1 68 68 SER CA C 13 59.702 0.45 . 1 . . . . 68 SER CA . 17365 1 783 . 1 1 68 68 SER CB C 13 63.684 0.45 . 1 . . . . 68 SER CB . 17365 1 784 . 1 1 68 68 SER N N 15 113.133 0.3 . 1 . . . . 68 SER N . 17365 1 785 . 1 1 69 69 LYS H H 1 7.659 0.03 . 1 . . . . 69 LYS H . 17365 1 786 . 1 1 69 69 LYS HA H 1 4.479 0.03 . 1 . . . . 69 LYS HA . 17365 1 787 . 1 1 69 69 LYS HB2 H 1 2.078 0.03 . 2 . . . . 69 LYS HB2 . 17365 1 788 . 1 1 69 69 LYS HB3 H 1 2.225 0.03 . 2 . . . . 69 LYS HB3 . 17365 1 789 . 1 1 69 69 LYS HG2 H 1 1.604 0.03 . 2 . . . . 69 LYS QG . 17365 1 790 . 1 1 69 69 LYS HG3 H 1 1.604 0.03 . 2 . . . . 69 LYS QG . 17365 1 791 . 1 1 69 69 LYS HD2 H 1 1.702 0.03 . 2 . . . . 69 LYS QD . 17365 1 792 . 1 1 69 69 LYS HD3 H 1 1.702 0.03 . 2 . . . . 69 LYS QD . 17365 1 793 . 1 1 69 69 LYS HE2 H 1 2.904 0.03 . 2 . . . . 69 LYS QE . 17365 1 794 . 1 1 69 69 LYS HE3 H 1 2.904 0.03 . 2 . . . . 69 LYS QE . 17365 1 795 . 1 1 69 69 LYS C C 13 178.233 0.45 . 1 . . . . 69 LYS C . 17365 1 796 . 1 1 69 69 LYS CA C 13 54.662 0.45 . 1 . . . . 69 LYS CA . 17365 1 797 . 1 1 69 69 LYS CB C 13 31.622 0.45 . 1 . . . . 69 LYS CB . 17365 1 798 . 1 1 69 69 LYS CG C 13 24.305 0.45 . 1 . . . . 69 LYS CG . 17365 1 799 . 1 1 69 69 LYS N N 15 122.83 0.3 . 1 . . . . 69 LYS N . 17365 1 800 . 1 1 70 70 SER H H 1 8.967 0.03 . 1 . . . . 70 SER H . 17365 1 801 . 1 1 70 70 SER HA H 1 4.245 0.03 . 1 . . . . 70 SER HA . 17365 1 802 . 1 1 70 70 SER HB2 H 1 3.96 0.03 . 2 . . . . 70 SER HB2 . 17365 1 803 . 1 1 70 70 SER HB3 H 1 4.071 0.03 . 2 . . . . 70 SER HB3 . 17365 1 804 . 1 1 70 70 SER C C 13 174.311 0.45 . 1 . . . . 70 SER C . 17365 1 805 . 1 1 70 70 SER CA C 13 59.312 0.45 . 1 . . . . 70 SER CA . 17365 1 806 . 1 1 70 70 SER CB C 13 63.543 0.45 . 1 . . . . 70 SER CB . 17365 1 807 . 1 1 70 70 SER N N 15 121.322 0.3 . 1 . . . . 70 SER N . 17365 1 808 . 1 1 71 71 GLN H H 1 9.038 0.03 . 1 . . . . 71 GLN H . 17365 1 809 . 1 1 71 71 GLN HA H 1 4.188 0.03 . 1 . . . . 71 GLN HA . 17365 1 810 . 1 1 71 71 GLN HB2 H 1 2.15 0.03 . 2 . . . . 71 GLN HB2 . 17365 1 811 . 1 1 71 71 GLN HB3 H 1 2.208 0.03 . 2 . . . . 71 GLN HB3 . 17365 1 812 . 1 1 71 71 GLN HG2 H 1 2.943 0.03 . 2 . . . . 71 GLN QG . 17365 1 813 . 1 1 71 71 GLN HG3 H 1 2.943 0.03 . 2 . . . . 71 GLN QG . 17365 1 814 . 1 1 71 71 GLN HE21 H 1 7.584 0.03 . 2 . . . . 71 GLN HE21 . 17365 1 815 . 1 1 71 71 GLN HE22 H 1 8.144 0.03 . 2 . . . . 71 GLN HE22 . 17365 1 816 . 1 1 71 71 GLN C C 13 177.485 0.45 . 1 . . . . 71 GLN C . 17365 1 817 . 1 1 71 71 GLN CA C 13 57.525 0.45 . 1 . . . . 71 GLN CA . 17365 1 818 . 1 1 71 71 GLN CB C 13 31.765 0.45 . 1 . . . . 71 GLN CB . 17365 1 819 . 1 1 71 71 GLN CG C 13 36.342 0.45 . 1 . . . . 71 GLN CG . 17365 1 820 . 1 1 71 71 GLN N N 15 123.59 0.3 . 1 . . . . 71 GLN N . 17365 1 821 . 1 1 71 71 GLN NE2 N 15 113.203 0.3 . 1 . . . . 71 GLN NE2 . 17365 1 822 . 1 1 72 72 GLU H H 1 9.505 0.03 . 1 . . . . 72 GLU H . 17365 1 823 . 1 1 72 72 GLU HA H 1 3.968 0.03 . 1 . . . . 72 GLU HA . 17365 1 824 . 1 1 72 72 GLU HB2 H 1 1.706 0.03 . 2 . . . . 72 GLU QB . 17365 1 825 . 1 1 72 72 GLU HB3 H 1 1.706 0.03 . 2 . . . . 72 GLU QB . 17365 1 826 . 1 1 72 72 GLU HG2 H 1 2.228 0.03 . 2 . . . . 72 GLU HG2 . 17365 1 827 . 1 1 72 72 GLU HG3 H 1 2.328 0.03 . 2 . . . . 72 GLU HG3 . 17365 1 828 . 1 1 72 72 GLU C C 13 175.135 0.45 . 1 . . . . 72 GLU C . 17365 1 829 . 1 1 72 72 GLU CA C 13 59.16 0.45 . 1 . . . . 72 GLU CA . 17365 1 830 . 1 1 72 72 GLU CB C 13 31.104 0.45 . 1 . . . . 72 GLU CB . 17365 1 831 . 1 1 72 72 GLU CG C 13 35.938 0.45 . 1 . . . . 72 GLU CG . 17365 1 832 . 1 1 72 72 GLU N N 15 127.335 0.3 . 1 . . . . 72 GLU N . 17365 1 833 . 1 1 73 73 MET H H 1 7.237 0.03 . 1 . . . . 73 MET H . 17365 1 834 . 1 1 73 73 MET HA H 1 4.73 0.03 . 1 . . . . 73 MET HA . 17365 1 835 . 1 1 73 73 MET HB2 H 1 1.74 0.03 . 2 . . . . 73 MET HB2 . 17365 1 836 . 1 1 73 73 MET HB3 H 1 2.232 0.03 . 2 . . . . 73 MET HB3 . 17365 1 837 . 1 1 73 73 MET HG2 H 1 2.431 0.03 . 2 . . . . 73 MET HG2 . 17365 1 838 . 1 1 73 73 MET HG3 H 1 2.496 0.03 . 2 . . . . 73 MET HG3 . 17365 1 839 . 1 1 73 73 MET HE1 H 1 1.985 0.03 . 1 . . . . 73 MET QE . 17365 1 840 . 1 1 73 73 MET HE2 H 1 1.985 0.03 . 1 . . . . 73 MET QE . 17365 1 841 . 1 1 73 73 MET HE3 H 1 1.985 0.03 . 1 . . . . 73 MET QE . 17365 1 842 . 1 1 73 73 MET C C 13 174.403 0.45 . 1 . . . . 73 MET C . 17365 1 843 . 1 1 73 73 MET CA C 13 53.774 0.45 . 1 . . . . 73 MET CA . 17365 1 844 . 1 1 73 73 MET CB C 13 36.633 0.45 . 1 . . . . 73 MET CB . 17365 1 845 . 1 1 73 73 MET CG C 13 31.872 0.45 . 1 . . . . 73 MET CG . 17365 1 846 . 1 1 73 73 MET CE C 13 17.036 0.45 . 1 . . . . 73 MET CE . 17365 1 847 . 1 1 73 73 MET N N 15 113.286 0.3 . 1 . . . . 73 MET N . 17365 1 848 . 1 1 74 74 SER H H 1 8.789 0.03 . 1 . . . . 74 SER H . 17365 1 849 . 1 1 74 74 SER HA H 1 4.442 0.03 . 1 . . . . 74 SER HA . 17365 1 850 . 1 1 74 74 SER HB2 H 1 4.029 0.03 . 2 . . . . 74 SER HB2 . 17365 1 851 . 1 1 74 74 SER HB3 H 1 4.298 0.03 . 2 . . . . 74 SER HB3 . 17365 1 852 . 1 1 74 74 SER C C 13 174.455 0.45 . 1 . . . . 74 SER C . 17365 1 853 . 1 1 74 74 SER CA C 13 57.99 0.45 . 1 . . . . 74 SER CA . 17365 1 854 . 1 1 74 74 SER CB C 13 64.942 0.45 . 1 . . . . 74 SER CB . 17365 1 855 . 1 1 74 74 SER N N 15 116.635 0.3 . 1 . . . . 74 SER N . 17365 1 856 . 1 1 75 75 ASN H H 1 9.043 0.03 . 1 . . . . 75 ASN H . 17365 1 857 . 1 1 75 75 ASN HA H 1 4.16 0.03 . 1 . . . . 75 ASN HA . 17365 1 858 . 1 1 75 75 ASN HB2 H 1 2.74 0.03 . 2 . . . . 75 ASN QB . 17365 1 859 . 1 1 75 75 ASN HB3 H 1 2.74 0.03 . 2 . . . . 75 ASN QB . 17365 1 860 . 1 1 75 75 ASN HD21 H 1 7.654 0.03 . 2 . . . . 75 ASN HD21 . 17365 1 861 . 1 1 75 75 ASN HD22 H 1 6.997 0.03 . 2 . . . . 75 ASN HD22 . 17365 1 862 . 1 1 75 75 ASN C C 13 176.869 0.45 . 1 . . . . 75 ASN C . 17365 1 863 . 1 1 75 75 ASN CA C 13 55.95 0.45 . 1 . . . . 75 ASN CA . 17365 1 864 . 1 1 75 75 ASN CB C 13 37.557 0.45 . 1 . . . . 75 ASN CB . 17365 1 865 . 1 1 75 75 ASN N N 15 119.833 0.3 . 1 . . . . 75 ASN N . 17365 1 866 . 1 1 75 75 ASN ND2 N 15 111.383 0.3 . 1 . . . . 75 ASN ND2 . 17365 1 867 . 1 1 76 76 GLU H H 1 8.799 0.03 . 1 . . . . 76 GLU H . 17365 1 868 . 1 1 76 76 GLU HA H 1 3.966 0.03 . 1 . . . . 76 GLU HA . 17365 1 869 . 1 1 76 76 GLU HB2 H 1 2.026 0.03 . 2 . . . . 76 GLU HB2 . 17365 1 870 . 1 1 76 76 GLU HB3 H 1 1.939 0.03 . 2 . . . . 76 GLU HB3 . 17365 1 871 . 1 1 76 76 GLU HG2 H 1 2.246 0.03 . 2 . . . . 76 GLU HG2 . 17365 1 872 . 1 1 76 76 GLU HG3 H 1 2.422 0.03 . 2 . . . . 76 GLU HG3 . 17365 1 873 . 1 1 76 76 GLU C C 13 178.768 0.45 . 1 . . . . 76 GLU C . 17365 1 874 . 1 1 76 76 GLU CA C 13 60.128 0.45 . 1 . . . . 76 GLU CA . 17365 1 875 . 1 1 76 76 GLU CB C 13 28.916 0.45 . 1 . . . . 76 GLU CB . 17365 1 876 . 1 1 76 76 GLU CG C 13 37.213 0.45 . 1 . . . . 76 GLU CG . 17365 1 877 . 1 1 76 76 GLU N N 15 118.742 0.3 . 1 . . . . 76 GLU N . 17365 1 878 . 1 1 77 77 GLU H H 1 7.706 0.03 . 1 . . . . 77 GLU H . 17365 1 879 . 1 1 77 77 GLU HA H 1 3.96 0.03 . 1 . . . . 77 GLU HA . 17365 1 880 . 1 1 77 77 GLU HB2 H 1 2.063 0.03 . 2 . . . . 77 GLU QB . 17365 1 881 . 1 1 77 77 GLU HB3 H 1 2.063 0.03 . 2 . . . . 77 GLU QB . 17365 1 882 . 1 1 77 77 GLU HG2 H 1 2.25 0.03 . 2 . . . . 77 GLU QG . 17365 1 883 . 1 1 77 77 GLU HG3 H 1 2.25 0.03 . 2 . . . . 77 GLU QG . 17365 1 884 . 1 1 77 77 GLU C C 13 178.996 0.45 . 1 . . . . 77 GLU C . 17365 1 885 . 1 1 77 77 GLU CA C 13 58.782 0.45 . 1 . . . . 77 GLU CA . 17365 1 886 . 1 1 77 77 GLU CB C 13 30.227 0.45 . 1 . . . . 77 GLU CB . 17365 1 887 . 1 1 77 77 GLU CG C 13 37.55 0.45 . 1 . . . . 77 GLU CG . 17365 1 888 . 1 1 77 77 GLU N N 15 120.733 0.3 . 1 . . . . 77 GLU N . 17365 1 889 . 1 1 78 78 ILE H H 1 7.929 0.03 . 1 . . . . 78 ILE H . 17365 1 890 . 1 1 78 78 ILE HA H 1 3.031 0.03 . 1 . . . . 78 ILE HA . 17365 1 891 . 1 1 78 78 ILE HB H 1 1.08 0.03 . 1 . . . . 78 ILE HB . 17365 1 892 . 1 1 78 78 ILE HG12 H 1 0.914 0.03 . 2 . . . . 78 ILE HG12 . 17365 1 893 . 1 1 78 78 ILE HG13 H 1 -0.454 0.03 . 2 . . . . 78 ILE HG13 . 17365 1 894 . 1 1 78 78 ILE HG21 H 1 -0.642 0.03 . 1 . . . . 78 ILE QG2 . 17365 1 895 . 1 1 78 78 ILE HG22 H 1 -0.642 0.03 . 1 . . . . 78 ILE QG2 . 17365 1 896 . 1 1 78 78 ILE HG23 H 1 -0.642 0.03 . 1 . . . . 78 ILE QG2 . 17365 1 897 . 1 1 78 78 ILE HD11 H 1 -0.1 0.03 . 1 . . . . 78 ILE QD1 . 17365 1 898 . 1 1 78 78 ILE HD12 H 1 -0.1 0.03 . 1 . . . . 78 ILE QD1 . 17365 1 899 . 1 1 78 78 ILE HD13 H 1 -0.1 0.03 . 1 . . . . 78 ILE QD1 . 17365 1 900 . 1 1 78 78 ILE C C 13 176.915 0.45 . 1 . . . . 78 ILE C . 17365 1 901 . 1 1 78 78 ILE CA C 13 64.398 0.45 . 1 . . . . 78 ILE CA . 17365 1 902 . 1 1 78 78 ILE CB C 13 37.41 0.45 . 1 . . . . 78 ILE CB . 17365 1 903 . 1 1 78 78 ILE CG1 C 13 28.339 0.45 . 1 . . . . 78 ILE CG1 . 17365 1 904 . 1 1 78 78 ILE CG2 C 13 15.082 0.45 . 1 . . . . 78 ILE CG2 . 17365 1 905 . 1 1 78 78 ILE CD1 C 13 13.766 0.45 . 1 . . . . 78 ILE CD1 . 17365 1 906 . 1 1 78 78 ILE N N 15 122.597 0.3 . 1 . . . . 78 ILE N . 17365 1 907 . 1 1 79 79 ASN H H 1 8.019 0.03 . 1 . . . . 79 ASN H . 17365 1 908 . 1 1 79 79 ASN HA H 1 4.143 0.03 . 1 . . . . 79 ASN HA . 17365 1 909 . 1 1 79 79 ASN HB2 H 1 2.72 0.03 . 2 . . . . 79 ASN QB . 17365 1 910 . 1 1 79 79 ASN HB3 H 1 2.72 0.03 . 2 . . . . 79 ASN QB . 17365 1 911 . 1 1 79 79 ASN HD21 H 1 7.369 0.03 . 2 . . . . 79 ASN HD21 . 17365 1 912 . 1 1 79 79 ASN HD22 H 1 6.57 0.03 . 2 . . . . 79 ASN HD22 . 17365 1 913 . 1 1 79 79 ASN C C 13 177.631 0.45 . 1 . . . . 79 ASN C . 17365 1 914 . 1 1 79 79 ASN CA C 13 55.149 0.45 . 1 . . . . 79 ASN CA . 17365 1 915 . 1 1 79 79 ASN CB C 13 37.418 0.45 . 1 . . . . 79 ASN CB . 17365 1 916 . 1 1 79 79 ASN CG C 13 173.581 0.45 . 1 . . . . 79 ASN CG . 17365 1 917 . 1 1 79 79 ASN N N 15 118.555 0.3 . 1 . . . . 79 ASN N . 17365 1 918 . 1 1 79 79 ASN ND2 N 15 109.305 0.3 . 1 . . . . 79 ASN ND2 . 17365 1 919 . 1 1 80 80 GLU H H 1 7.647 0.03 . 1 . . . . 80 GLU H . 17365 1 920 . 1 1 80 80 GLU HA H 1 4.038 0.03 . 1 . . . . 80 GLU HA . 17365 1 921 . 1 1 80 80 GLU HB2 H 1 2.032 0.03 . 2 . . . . 80 GLU QB . 17365 1 922 . 1 1 80 80 GLU HB3 H 1 2.032 0.03 . 2 . . . . 80 GLU QB . 17365 1 923 . 1 1 80 80 GLU HG2 H 1 2.309 0.03 . 2 . . . . 80 GLU HG2 . 17365 1 924 . 1 1 80 80 GLU HG3 H 1 2.2 0.03 . 2 . . . . 80 GLU HG3 . 17365 1 925 . 1 1 80 80 GLU C C 13 178.694 0.45 . 1 . . . . 80 GLU C . 17365 1 926 . 1 1 80 80 GLU CA C 13 58.746 0.45 . 1 . . . . 80 GLU CA . 17365 1 927 . 1 1 80 80 GLU CB C 13 29.591 0.45 . 1 . . . . 80 GLU CB . 17365 1 928 . 1 1 80 80 GLU CG C 13 36.208 0.45 . 1 . . . . 80 GLU CG . 17365 1 929 . 1 1 80 80 GLU N N 15 119.398 0.3 . 1 . . . . 80 GLU N . 17365 1 930 . 1 1 81 81 GLU H H 1 7.834 0.03 . 1 . . . . 81 GLU H . 17365 1 931 . 1 1 81 81 GLU HA H 1 4.04 0.03 . 1 . . . . 81 GLU HA . 17365 1 932 . 1 1 81 81 GLU HB2 H 1 2.045 0.03 . 2 . . . . 81 GLU QB . 17365 1 933 . 1 1 81 81 GLU HB3 H 1 2.045 0.03 . 2 . . . . 81 GLU QB . 17365 1 934 . 1 1 81 81 GLU HG2 H 1 2.291 0.03 . 2 . . . . 81 GLU QG . 17365 1 935 . 1 1 81 81 GLU HG3 H 1 2.291 0.03 . 2 . . . . 81 GLU QG . 17365 1 936 . 1 1 81 81 GLU C C 13 178.256 0.45 . 1 . . . . 81 GLU C . 17365 1 937 . 1 1 81 81 GLU CA C 13 58.894 0.45 . 1 . . . . 81 GLU CA . 17365 1 938 . 1 1 81 81 GLU CB C 13 29.654 0.45 . 1 . . . . 81 GLU CB . 17365 1 939 . 1 1 81 81 GLU CG C 13 36.516 0.45 . 1 . . . . 81 GLU CG . 17365 1 940 . 1 1 81 81 GLU N N 15 121.214 0.3 . 1 . . . . 81 GLU N . 17365 1 941 . 1 1 82 82 LEU H H 1 8.02 0.03 . 1 . . . . 82 LEU H . 17365 1 942 . 1 1 82 82 LEU HA H 1 4.164 0.03 . 1 . . . . 82 LEU HA . 17365 1 943 . 1 1 82 82 LEU HB2 H 1 1.388 0.03 . 2 . . . . 82 LEU HB2 . 17365 1 944 . 1 1 82 82 LEU HB3 H 1 1.575 0.03 . 2 . . . . 82 LEU HB3 . 17365 1 945 . 1 1 82 82 LEU HG H 1 1.406 0.03 . 1 . . . . 82 LEU HG . 17365 1 946 . 1 1 82 82 LEU HD11 H 1 0.29 0.03 . 2 . . . . 82 LEU QD1 . 17365 1 947 . 1 1 82 82 LEU HD12 H 1 0.29 0.03 . 2 . . . . 82 LEU QD1 . 17365 1 948 . 1 1 82 82 LEU HD13 H 1 0.29 0.03 . 2 . . . . 82 LEU QD1 . 17365 1 949 . 1 1 82 82 LEU HD21 H 1 0.688 0.03 . 2 . . . . 82 LEU QD2 . 17365 1 950 . 1 1 82 82 LEU HD22 H 1 0.688 0.03 . 2 . . . . 82 LEU QD2 . 17365 1 951 . 1 1 82 82 LEU HD23 H 1 0.688 0.03 . 2 . . . . 82 LEU QD2 . 17365 1 952 . 1 1 82 82 LEU C C 13 177.915 0.45 . 1 . . . . 82 LEU C . 17365 1 953 . 1 1 82 82 LEU CA C 13 55.495 0.45 . 1 . . . . 82 LEU CA . 17365 1 954 . 1 1 82 82 LEU CB C 13 42.827 0.45 . 1 . . . . 82 LEU CB . 17365 1 955 . 1 1 82 82 LEU CG C 13 26.292 0.45 . 1 . . . . 82 LEU CG . 17365 1 956 . 1 1 82 82 LEU CD1 C 13 25.259 0.45 . 2 . . . . 82 LEU CD1 . 17365 1 957 . 1 1 82 82 LEU CD2 C 13 22.709 0.45 . 2 . . . . 82 LEU CD2 . 17365 1 958 . 1 1 82 82 LEU N N 15 117.79 0.3 . 1 . . . . 82 LEU N . 17365 1 959 . 1 1 83 83 GLY H H 1 7.852 0.03 . 1 . . . . 83 GLY H . 17365 1 960 . 1 1 83 83 GLY HA2 H 1 3.882 0.03 . 2 . . . . 83 GLY HA2 . 17365 1 961 . 1 1 83 83 GLY HA3 H 1 3.94 0.03 . 2 . . . . 83 GLY HA3 . 17365 1 962 . 1 1 83 83 GLY C C 13 174.685 0.45 . 1 . . . . 83 GLY C . 17365 1 963 . 1 1 83 83 GLY CA C 13 45.919 0.45 . 1 . . . . 83 GLY CA . 17365 1 964 . 1 1 83 83 GLY N N 15 108.389 0.3 . 1 . . . . 83 GLY N . 17365 1 965 . 1 1 84 84 ILE H H 1 7.829 0.03 . 1 . . . . 84 ILE H . 17365 1 966 . 1 1 84 84 ILE HA H 1 4.145 0.03 . 1 . . . . 84 ILE HA . 17365 1 967 . 1 1 84 84 ILE HB H 1 1.737 0.03 . 1 . . . . 84 ILE HB . 17365 1 968 . 1 1 84 84 ILE HG12 H 1 1.344 0.03 . 2 . . . . 84 ILE HG12 . 17365 1 969 . 1 1 84 84 ILE HG13 H 1 1.019 0.03 . 2 . . . . 84 ILE HG13 . 17365 1 970 . 1 1 84 84 ILE HG21 H 1 0.822 0.03 . 1 . . . . 84 ILE QG2 . 17365 1 971 . 1 1 84 84 ILE HG22 H 1 0.822 0.03 . 1 . . . . 84 ILE QG2 . 17365 1 972 . 1 1 84 84 ILE HG23 H 1 0.822 0.03 . 1 . . . . 84 ILE QG2 . 17365 1 973 . 1 1 84 84 ILE HD11 H 1 0.768 0.03 . 1 . . . . 84 ILE QD1 . 17365 1 974 . 1 1 84 84 ILE HD12 H 1 0.768 0.03 . 1 . . . . 84 ILE QD1 . 17365 1 975 . 1 1 84 84 ILE HD13 H 1 0.768 0.03 . 1 . . . . 84 ILE QD1 . 17365 1 976 . 1 1 84 84 ILE C C 13 176.571 0.45 . 1 . . . . 84 ILE C . 17365 1 977 . 1 1 84 84 ILE CA C 13 61.036 0.45 . 1 . . . . 84 ILE CA . 17365 1 978 . 1 1 84 84 ILE CB C 13 38.928 0.45 . 1 . . . . 84 ILE CB . 17365 1 979 . 1 1 84 84 ILE CG1 C 13 27.048 0.45 . 1 . . . . 84 ILE CG1 . 17365 1 980 . 1 1 84 84 ILE CG2 C 13 17.309 0.45 . 1 . . . . 84 ILE CG2 . 17365 1 981 . 1 1 84 84 ILE CD1 C 13 13.023 0.45 . 1 . . . . 84 ILE CD1 . 17365 1 982 . 1 1 84 84 ILE N N 15 119.017 0.3 . 1 . . . . 84 ILE N . 17365 1 983 . 1 1 85 85 GLY H H 1 8.516 0.03 . 1 . . . . 85 GLY H . 17365 1 984 . 1 1 85 85 GLY HA2 H 1 3.892 0.03 . 2 . . . . 85 GLY HA2 . 17365 1 985 . 1 1 85 85 GLY HA3 H 1 3.993 0.03 . 2 . . . . 85 GLY HA3 . 17365 1 986 . 1 1 85 85 GLY C C 13 174.183 0.45 . 1 . . . . 85 GLY C . 17365 1 987 . 1 1 85 85 GLY CA C 13 45.208 0.45 . 1 . . . . 85 GLY CA . 17365 1 988 . 1 1 85 85 GLY N N 15 112.91 0.3 . 1 . . . . 85 GLY N . 17365 1 989 . 1 1 86 86 GLN H H 1 8.266 0.03 . 1 . . . . 86 GLN H . 17365 1 990 . 1 1 86 86 GLN HA H 1 4.292 0.03 . 1 . . . . 86 GLN HA . 17365 1 991 . 1 1 86 86 GLN HB2 H 1 2.102 0.03 . 2 . . . . 86 GLN HB2 . 17365 1 992 . 1 1 86 86 GLN HB3 H 1 1.954 0.03 . 2 . . . . 86 GLN HB3 . 17365 1 993 . 1 1 86 86 GLN HG2 H 1 2.315 0.03 . 2 . . . . 86 GLN QG . 17365 1 994 . 1 1 86 86 GLN HG3 H 1 2.315 0.03 . 2 . . . . 86 GLN QG . 17365 1 995 . 1 1 86 86 GLN HE21 H 1 7.582 0.03 . 2 . . . . 86 GLN HE21 . 17365 1 996 . 1 1 86 86 GLN HE22 H 1 6.85 0.03 . 2 . . . . 86 GLN HE22 . 17365 1 997 . 1 1 86 86 GLN C C 13 175.926 0.45 . 1 . . . . 86 GLN C . 17365 1 998 . 1 1 86 86 GLN CA C 13 55.926 0.45 . 1 . . . . 86 GLN CA . 17365 1 999 . 1 1 86 86 GLN CB C 13 29.493 0.45 . 1 . . . . 86 GLN CB . 17365 1 1000 . 1 1 86 86 GLN CG C 13 33.629 0.45 . 1 . . . . 86 GLN CG . 17365 1 1001 . 1 1 86 86 GLN CD C 13 180.46 0.45 . 1 . . . . 86 GLN CD . 17365 1 1002 . 1 1 86 86 GLN N N 15 119.656 0.3 . 1 . . . . 86 GLN N . 17365 1 1003 . 1 1 86 86 GLN NE2 N 15 112.67 0.3 . 1 . . . . 86 GLN NE2 . 17365 1 1004 . 1 1 87 87 ASP H H 1 8.5 0.03 . 1 . . . . 87 ASP H . 17365 1 1005 . 1 1 87 87 ASP HA H 1 4.569 0.03 . 1 . . . . 87 ASP HA . 17365 1 1006 . 1 1 87 87 ASP HB2 H 1 2.696 0.03 . 2 . . . . 87 ASP HB2 . 17365 1 1007 . 1 1 87 87 ASP HB3 H 1 2.611 0.03 . 2 . . . . 87 ASP HB3 . 17365 1 1008 . 1 1 87 87 ASP C C 13 176.54 0.45 . 1 . . . . 87 ASP C . 17365 1 1009 . 1 1 87 87 ASP CA C 13 54.664 0.45 . 1 . . . . 87 ASP CA . 17365 1 1010 . 1 1 87 87 ASP CB C 13 41.087 0.45 . 1 . . . . 87 ASP CB . 17365 1 1011 . 1 1 87 87 ASP N N 15 121.153 0.3 . 1 . . . . 87 ASP N . 17365 1 1012 . 1 1 88 88 GLU H H 1 8.327 0.03 . 1 . . . . 88 GLU H . 17365 1 1013 . 1 1 88 88 GLU HA H 1 4.243 0.03 . 1 . . . . 88 GLU HA . 17365 1 1014 . 1 1 88 88 GLU HB2 H 1 2.066 0.03 . 2 . . . . 88 GLU HB2 . 17365 1 1015 . 1 1 88 88 GLU HB3 H 1 1.937 0.03 . 2 . . . . 88 GLU HB3 . 17365 1 1016 . 1 1 88 88 GLU HG2 H 1 2.252 0.03 . 2 . . . . 88 GLU QG . 17365 1 1017 . 1 1 88 88 GLU HG3 H 1 2.252 0.03 . 2 . . . . 88 GLU QG . 17365 1 1018 . 1 1 88 88 GLU C C 13 176.567 0.45 . 1 . . . . 88 GLU C . 17365 1 1019 . 1 1 88 88 GLU CA C 13 56.867 0.45 . 1 . . . . 88 GLU CA . 17365 1 1020 . 1 1 88 88 GLU CB C 13 30.217 0.45 . 1 . . . . 88 GLU CB . 17365 1 1021 . 1 1 88 88 GLU CG C 13 36.249 0.45 . 1 . . . . 88 GLU CG . 17365 1 1022 . 1 1 88 88 GLU N N 15 121.546 0.3 . 1 . . . . 88 GLU N . 17365 1 1023 . 1 1 89 89 ALA H H 1 8.294 0.03 . 1 . . . . 89 ALA H . 17365 1 1024 . 1 1 89 89 ALA HA H 1 4.232 0.03 . 1 . . . . 89 ALA HA . 17365 1 1025 . 1 1 89 89 ALA HB1 H 1 1.384 0.03 . 1 . . . . 89 ALA QB . 17365 1 1026 . 1 1 89 89 ALA HB2 H 1 1.384 0.03 . 1 . . . . 89 ALA QB . 17365 1 1027 . 1 1 89 89 ALA HB3 H 1 1.384 0.03 . 1 . . . . 89 ALA QB . 17365 1 1028 . 1 1 89 89 ALA C C 13 177.882 0.45 . 1 . . . . 89 ALA C . 17365 1 1029 . 1 1 89 89 ALA CA C 13 52.988 0.45 . 1 . . . . 89 ALA CA . 17365 1 1030 . 1 1 89 89 ALA CB C 13 19.215 0.45 . 1 . . . . 89 ALA CB . 17365 1 1031 . 1 1 89 89 ALA N N 15 124.48 0.3 . 1 . . . . 89 ALA N . 17365 1 1032 . 1 1 90 90 ASP H H 1 8.254 0.03 . 1 . . . . 90 ASP H . 17365 1 1033 . 1 1 90 90 ASP HA H 1 4.534 0.03 . 1 . . . . 90 ASP HA . 17365 1 1034 . 1 1 90 90 ASP HB2 H 1 2.673 0.03 . 2 . . . . 90 ASP HB2 . 17365 1 1035 . 1 1 90 90 ASP HB3 H 1 2.631 0.03 . 2 . . . . 90 ASP HB3 . 17365 1 1036 . 1 1 90 90 ASP C C 13 176.177 0.45 . 1 . . . . 90 ASP C . 17365 1 1037 . 1 1 90 90 ASP CA C 13 54.522 0.45 . 1 . . . . 90 ASP CA . 17365 1 1038 . 1 1 90 90 ASP CB C 13 41.128 0.45 . 1 . . . . 90 ASP CB . 17365 1 1039 . 1 1 90 90 ASP N N 15 119.162 0.3 . 1 . . . . 90 ASP N . 17365 1 1040 . 1 1 91 91 ALA H H 1 8.004 0.03 . 1 . . . . 91 ALA H . 17365 1 1041 . 1 1 91 91 ALA HA H 1 4.249 0.03 . 1 . . . . 91 ALA HA . 17365 1 1042 . 1 1 91 91 ALA HB1 H 1 1.294 0.03 . 1 . . . . 91 ALA QB . 17365 1 1043 . 1 1 91 91 ALA HB2 H 1 1.294 0.03 . 1 . . . . 91 ALA QB . 17365 1 1044 . 1 1 91 91 ALA HB3 H 1 1.294 0.03 . 1 . . . . 91 ALA QB . 17365 1 1045 . 1 1 91 91 ALA C C 13 177.572 0.45 . 1 . . . . 91 ALA C . 17365 1 1046 . 1 1 91 91 ALA CA C 13 52.709 0.45 . 1 . . . . 91 ALA CA . 17365 1 1047 . 1 1 91 91 ALA CB C 13 19.203 0.45 . 1 . . . . 91 ALA CB . 17365 1 1048 . 1 1 91 91 ALA N N 15 123.742 0.3 . 1 . . . . 91 ALA N . 17365 1 1049 . 1 1 92 92 TYR H H 1 8.094 0.03 . 1 . . . . 92 TYR H . 17365 1 1050 . 1 1 92 92 TYR HA H 1 4.497 0.03 . 1 . . . . 92 TYR HA . 17365 1 1051 . 1 1 92 92 TYR HB2 H 1 3.045 0.03 . 2 . . . . 92 TYR HB2 . 17365 1 1052 . 1 1 92 92 TYR HB3 H 1 2.976 0.03 . 2 . . . . 92 TYR HB3 . 17365 1 1053 . 1 1 92 92 TYR HD1 H 1 7.127 0.03 . 3 . . . . 92 TYR QD . 17365 1 1054 . 1 1 92 92 TYR HD2 H 1 7.127 0.03 . 3 . . . . 92 TYR QD . 17365 1 1055 . 1 1 92 92 TYR HE1 H 1 6.816 0.03 . 3 . . . . 92 TYR QE . 17365 1 1056 . 1 1 92 92 TYR HE2 H 1 6.816 0.03 . 3 . . . . 92 TYR QE . 17365 1 1057 . 1 1 92 92 TYR C C 13 175.552 0.45 . 1 . . . . 92 TYR C . 17365 1 1058 . 1 1 92 92 TYR CA C 13 58.074 0.45 . 1 . . . . 92 TYR CA . 17365 1 1059 . 1 1 92 92 TYR CB C 13 38.706 0.45 . 1 . . . . 92 TYR CB . 17365 1 1060 . 1 1 92 92 TYR CD1 C 13 133.284 0.45 . 3 . . . . 92 TYR CD1 . 17365 1 1061 . 1 1 92 92 TYR CE1 C 13 118.212 0.45 . 3 . . . . 92 TYR CE1 . 17365 1 1062 . 1 1 92 92 TYR N N 15 119.268 0.3 . 1 . . . . 92 TYR N . 17365 1 1063 . 1 1 93 93 ASP H H 1 8.176 0.03 . 1 . . . . 93 ASP H . 17365 1 1064 . 1 1 93 93 ASP HA H 1 4.585 0.03 . 1 . . . . 93 ASP HA . 17365 1 1065 . 1 1 93 93 ASP HB2 H 1 2.697 0.03 . 2 . . . . 93 ASP HB2 . 17365 1 1066 . 1 1 93 93 ASP HB3 H 1 2.595 0.03 . 2 . . . . 93 ASP HB3 . 17365 1 1067 . 1 1 93 93 ASP C C 13 176.292 0.45 . 1 . . . . 93 ASP C . 17365 1 1068 . 1 1 93 93 ASP CA C 13 53.832 0.45 . 1 . . . . 93 ASP CA . 17365 1 1069 . 1 1 93 93 ASP CB C 13 41.175 0.45 . 1 . . . . 93 ASP CB . 17365 1 1070 . 1 1 93 93 ASP N N 15 122.393 0.3 . 1 . . . . 93 ASP N . 17365 1 1071 . 1 1 94 94 CYS H H 1 8.247 0.03 . 1 . . . . 94 CYS H . 17365 1 1072 . 1 1 94 94 CYS HA H 1 4.387 0.03 . 1 . . . . 94 CYS HA . 17365 1 1073 . 1 1 94 94 CYS HB2 H 1 2.988 0.03 . 2 . . . . 94 CYS HB2 . 17365 1 1074 . 1 1 94 94 CYS HB3 H 1 2.937 0.03 . 2 . . . . 94 CYS HB3 . 17365 1 1075 . 1 1 94 94 CYS C C 13 174.811 0.45 . 1 . . . . 94 CYS C . 17365 1 1076 . 1 1 94 94 CYS CA C 13 58.983 0.45 . 1 . . . . 94 CYS CA . 17365 1 1077 . 1 1 94 94 CYS CB C 13 27.902 0.45 . 1 . . . . 94 CYS CB . 17365 1 1078 . 1 1 94 94 CYS N N 15 120.029 0.3 . 1 . . . . 94 CYS N . 17365 1 1079 . 1 1 95 95 ASP H H 1 8.395 0.03 . 1 . . . . 95 ASP H . 17365 1 1080 . 1 1 95 95 ASP HA H 1 4.585 0.03 . 1 . . . . 95 ASP HA . 17365 1 1081 . 1 1 95 95 ASP HB2 H 1 2.726 0.03 . 2 . . . . 95 ASP HB2 . 17365 1 1082 . 1 1 95 95 ASP HB3 H 1 2.654 0.03 . 2 . . . . 95 ASP HB3 . 17365 1 1083 . 1 1 95 95 ASP C C 13 176.688 0.45 . 1 . . . . 95 ASP C . 17365 1 1084 . 1 1 95 95 ASP CA C 13 54.991 0.45 . 1 . . . . 95 ASP CA . 17365 1 1085 . 1 1 95 95 ASP CB C 13 41.126 0.45 . 1 . . . . 95 ASP CB . 17365 1 1086 . 1 1 95 95 ASP N N 15 122.451 0.3 . 1 . . . . 95 ASP N . 17365 1 1087 . 1 1 96 96 ALA H H 1 8.06 0.03 . 1 . . . . 96 ALA H . 17365 1 1088 . 1 1 96 96 ALA HA H 1 4.142 0.03 . 1 . . . . 96 ALA HA . 17365 1 1089 . 1 1 96 96 ALA HB1 H 1 1.402 0.03 . 1 . . . . 96 ALA QB . 17365 1 1090 . 1 1 96 96 ALA HB2 H 1 1.402 0.03 . 1 . . . . 96 ALA QB . 17365 1 1091 . 1 1 96 96 ALA HB3 H 1 1.402 0.03 . 1 . . . . 96 ALA QB . 17365 1 1092 . 1 1 96 96 ALA C C 13 178.244 0.45 . 1 . . . . 96 ALA C . 17365 1 1093 . 1 1 96 96 ALA CA C 13 53.509 0.45 . 1 . . . . 96 ALA CA . 17365 1 1094 . 1 1 96 96 ALA CB C 13 18.958 0.45 . 1 . . . . 96 ALA CB . 17365 1 1095 . 1 1 96 96 ALA N N 15 124.253 0.3 . 1 . . . . 96 ALA N . 17365 1 1096 . 1 1 97 97 ALA H H 1 8.102 0.03 . 1 . . . . 97 ALA H . 17365 1 1097 . 1 1 97 97 ALA HA H 1 4.247 0.03 . 1 . . . . 97 ALA HA . 17365 1 1098 . 1 1 97 97 ALA HB1 H 1 1.407 0.03 . 1 . . . . 97 ALA QB . 17365 1 1099 . 1 1 97 97 ALA HB2 H 1 1.407 0.03 . 1 . . . . 97 ALA QB . 17365 1 1100 . 1 1 97 97 ALA HB3 H 1 1.407 0.03 . 1 . . . . 97 ALA QB . 17365 1 1101 . 1 1 97 97 ALA C C 13 178.078 0.45 . 1 . . . . 97 ALA C . 17365 1 1102 . 1 1 97 97 ALA CA C 13 52.861 0.45 . 1 . . . . 97 ALA CA . 17365 1 1103 . 1 1 97 97 ALA CB C 13 18.947 0.45 . 1 . . . . 97 ALA CB . 17365 1 1104 . 1 1 97 97 ALA N N 15 121.101 0.3 . 1 . . . . 97 ALA N . 17365 1 1105 . 1 1 98 98 LYS H H 1 7.932 0.03 . 1 . . . . 98 LYS H . 17365 1 1106 . 1 1 98 98 LYS HA H 1 4.285 0.03 . 1 . . . . 98 LYS HA . 17365 1 1107 . 1 1 98 98 LYS HB2 H 1 1.881 0.03 . 2 . . . . 98 LYS HB2 . 17365 1 1108 . 1 1 98 98 LYS HB3 H 1 1.79 0.03 . 2 . . . . 98 LYS HB3 . 17365 1 1109 . 1 1 98 98 LYS HG2 H 1 1.402 0.03 . 2 . . . . 98 LYS HG2 . 17365 1 1110 . 1 1 98 98 LYS HG3 H 1 1.459 0.03 . 2 . . . . 98 LYS HG3 . 17365 1 1111 . 1 1 98 98 LYS HD2 H 1 1.675 0.03 . 2 . . . . 98 LYS QD . 17365 1 1112 . 1 1 98 98 LYS HD3 H 1 1.675 0.03 . 2 . . . . 98 LYS QD . 17365 1 1113 . 1 1 98 98 LYS HE2 H 1 2.986 0.03 . 2 . . . . 98 LYS QE . 17365 1 1114 . 1 1 98 98 LYS HE3 H 1 2.986 0.03 . 2 . . . . 98 LYS QE . 17365 1 1115 . 1 1 98 98 LYS C C 13 176.635 0.45 . 1 . . . . 98 LYS C . 17365 1 1116 . 1 1 98 98 LYS CA C 13 56.403 0.45 . 1 . . . . 98 LYS CA . 17365 1 1117 . 1 1 98 98 LYS CB C 13 32.853 0.45 . 1 . . . . 98 LYS CB . 17365 1 1118 . 1 1 98 98 LYS CG C 13 24.548 0.45 . 1 . . . . 98 LYS CG . 17365 1 1119 . 1 1 98 98 LYS CD C 13 29.087 0.45 . 1 . . . . 98 LYS CD . 17365 1 1120 . 1 1 98 98 LYS CE C 13 42.202 0.45 . 1 . . . . 98 LYS CE . 17365 1 1121 . 1 1 98 98 LYS N N 15 119.265 0.3 . 1 . . . . 98 LYS N . 17365 1 1122 . 1 1 99 99 ARG H H 1 8.137 0.03 . 1 . . . . 99 ARG H . 17365 1 1123 . 1 1 99 99 ARG HA H 1 4.365 0.03 . 1 . . . . 99 ARG HA . 17365 1 1124 . 1 1 99 99 ARG HB2 H 1 1.899 0.03 . 2 . . . . 99 ARG HB2 . 17365 1 1125 . 1 1 99 99 ARG HB3 H 1 1.787 0.03 . 2 . . . . 99 ARG HB3 . 17365 1 1126 . 1 1 99 99 ARG HG2 H 1 1.647 0.03 . 2 . . . . 99 ARG QG . 17365 1 1127 . 1 1 99 99 ARG HG3 H 1 1.647 0.03 . 2 . . . . 99 ARG QG . 17365 1 1128 . 1 1 99 99 ARG HD2 H 1 3.174 0.03 . 2 . . . . 99 ARG QD . 17365 1 1129 . 1 1 99 99 ARG HD3 H 1 3.174 0.03 . 2 . . . . 99 ARG QD . 17365 1 1130 . 1 1 99 99 ARG C C 13 175.84 0.45 . 1 . . . . 99 ARG C . 17365 1 1131 . 1 1 99 99 ARG CA C 13 56.175 0.45 . 1 . . . . 99 ARG CA . 17365 1 1132 . 1 1 99 99 ARG CB C 13 31.023 0.45 . 1 . . . . 99 ARG CB . 17365 1 1133 . 1 1 99 99 ARG CG C 13 26.715 0.45 . 1 . . . . 99 ARG CG . 17365 1 1134 . 1 1 99 99 ARG CD C 13 43.374 0.45 . 1 . . . . 99 ARG CD . 17365 1 1135 . 1 1 99 99 ARG N N 15 122.052 0.3 . 1 . . . . 99 ARG N . 17365 1 1136 . 1 1 100 100 GLY H H 1 7.967 0.03 . 1 . . . . 100 GLY H . 17365 1 1137 . 1 1 100 100 GLY HA2 H 1 3.758 0.03 . 2 . . . . 100 GLY QA . 17365 1 1138 . 1 1 100 100 GLY HA3 H 1 3.758 0.03 . 2 . . . . 100 GLY QA . 17365 1 1139 . 1 1 100 100 GLY C C 13 178.978 0.45 . 1 . . . . 100 GLY C . 17365 1 1140 . 1 1 100 100 GLY CA C 13 46.228 0.45 . 1 . . . . 100 GLY CA . 17365 1 1141 . 1 1 100 100 GLY N N 15 115.971 0.3 . 1 . . . . 100 GLY N . 17365 1 stop_ save_