data_16510 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16510 _Entry.Title ; The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Francesca Chignola . . . 16510 2 Massimiliano Gaetani . . . 16510 3 Ana Rebane . . . 16510 4 Tonis Org . . . 16510 5 Luca Mollica . . . 16510 6 Chiara Zucchelli . . . 16510 7 Andrea Spitaleri . . . 16510 8 Valeria Mannella . . . 16510 9 Part Peterson . . . 16510 10 Giovanna Musco . . . 16510 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 . 'not applicable' 'not applicable' . 16510 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AIRE . 16510 'Histone H3' . 16510 'PHD finger' . 16510 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16510 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 16510 '15N chemical shifts' 64 16510 '1H chemical shifts' 415 16510 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 . . 2010-05-28 2009-09-23 update BMRB 'edit entity/assembly name' 16510 1 . . 2009-10-06 2009-09-23 original author 'original release' 16510 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6374 'free AIRE-PHD1' 16510 PDB 1XWH 'free AIRE-PHD1' 16510 PDB 2KE1 'BMRB Entry Tracking System' 16510 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 16510 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19293276 _Citation.Full_citation . _Citation.Title 'The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 9 _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 2951 _Citation.Page_last 2961 _Citation.Year 2009 _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 Francesca Chignola . . . 16510 1 2 Massimiliano Gaetani . . . 16510 1 3 Ana Rebane . . . 16510 1 4 Tonis Org . . . 16510 1 5 Luca Mollica . . . 16510 1 6 Chiara Zucchelli . . . 16510 1 7 Andrea Spitaleri . . . 16510 1 8 Valeria Mannella . . . 16510 1 9 Part Peterson . . . 16510 1 10 Giovanna Musco . . . 16510 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16510 _Assembly.ID 1 _Assembly.Name 'first PHD finger/non-modified histone H3 tail complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 'first PHD finger' 1 $entity_1 A . yes native no no . . . 16510 1 2 'histone H3 tail' 2 $entity_2 B . no native no no . . . 16510 1 3 'ZINC ION_1' 3 $ZN C . no native no no . . . 16510 1 4 'ZINC ION_2' 3 $ZN D . no native no no . . . 16510 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 disulfide single . 1 . 1 CYS 11 11 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 3 disulfide single . 1 . 1 CYS 23 23 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 4 disulfide single . 1 . 1 CYS 26 26 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 5 disulfide single . 1 . 1 CYS 34 34 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 6 disulfide single . 1 . 1 CYS 49 49 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 7 disulfide single . 1 . 1 CYS 52 52 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 16510 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16510 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'first PHD finger' _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 ; GAMAQKNEDECAVCRDGGEL ICCDGCPRAFHLACLSPPLR EIPSGTWRCSSCLQATVQEV QPRAEE ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'First PHD domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7145.130 _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 1XWH . "Nmr Structure Of The First Phd Finger Of Autoimmune Regulator Protein (Aire1): Insights Into Apeced" . . . . . 100.00 66 100.00 100.00 5.37e-39 . . . . 16510 1 2 no PDB 2KE1 . "Molecular Basis Of Non-Modified Histone H3 Tail Recognition By The First Phd Finger Of Autoimmune Regulator" . . . . . 100.00 66 100.00 100.00 5.37e-39 . . . . 16510 1 3 no DBJ BAA23989 . "AIRE-2 [Homo sapiens]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 1 4 no DBJ BAA23991 . "AIRE-2 [Homo sapiens]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 1 5 no GB AAI37269 . "AIRE protein [Homo sapiens]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 1 6 no GB AAI37271 . "AIRE protein [Homo sapiens]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 1 7 no GB AIC54015 . "AIRE, partial [synthetic construct]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 1 8 no GB EAX09443 . "hCG401300, isoform CRA_c [Homo sapiens]" . . . . . 93.94 348 100.00 100.00 1.15e-33 . . . . 16510 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 . 16510 1 2 . ALA . 16510 1 3 . MET . 16510 1 4 . ALA . 16510 1 5 . GLN . 16510 1 6 . LYS . 16510 1 7 . ASN . 16510 1 8 . GLU . 16510 1 9 . ASP . 16510 1 10 . GLU . 16510 1 11 . CYS . 16510 1 12 . ALA . 16510 1 13 . VAL . 16510 1 14 . CYS . 16510 1 15 . ARG . 16510 1 16 . ASP . 16510 1 17 . GLY . 16510 1 18 . GLY . 16510 1 19 . GLU . 16510 1 20 . LEU . 16510 1 21 . ILE . 16510 1 22 . CYS . 16510 1 23 . CYS . 16510 1 24 . ASP . 16510 1 25 . GLY . 16510 1 26 . CYS . 16510 1 27 . PRO . 16510 1 28 . ARG . 16510 1 29 . ALA . 16510 1 30 . PHE . 16510 1 31 . HIS . 16510 1 32 . LEU . 16510 1 33 . ALA . 16510 1 34 . CYS . 16510 1 35 . LEU . 16510 1 36 . SER . 16510 1 37 . PRO . 16510 1 38 . PRO . 16510 1 39 . LEU . 16510 1 40 . ARG . 16510 1 41 . GLU . 16510 1 42 . ILE . 16510 1 43 . PRO . 16510 1 44 . SER . 16510 1 45 . GLY . 16510 1 46 . THR . 16510 1 47 . TRP . 16510 1 48 . ARG . 16510 1 49 . CYS . 16510 1 50 . SER . 16510 1 51 . SER . 16510 1 52 . CYS . 16510 1 53 . LEU . 16510 1 54 . GLN . 16510 1 55 . ALA . 16510 1 56 . THR . 16510 1 57 . VAL . 16510 1 58 . GLN . 16510 1 59 . GLU . 16510 1 60 . VAL . 16510 1 61 . GLN . 16510 1 62 . PRO . 16510 1 63 . ARG . 16510 1 64 . ALA . 16510 1 65 . GLU . 16510 1 66 . GLU . 16510 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 16510 1 . ALA 2 2 16510 1 . MET 3 3 16510 1 . ALA 4 4 16510 1 . GLN 5 5 16510 1 . LYS 6 6 16510 1 . ASN 7 7 16510 1 . GLU 8 8 16510 1 . ASP 9 9 16510 1 . GLU 10 10 16510 1 . CYS 11 11 16510 1 . ALA 12 12 16510 1 . VAL 13 13 16510 1 . CYS 14 14 16510 1 . ARG 15 15 16510 1 . ASP 16 16 16510 1 . GLY 17 17 16510 1 . GLY 18 18 16510 1 . GLU 19 19 16510 1 . LEU 20 20 16510 1 . ILE 21 21 16510 1 . CYS 22 22 16510 1 . CYS 23 23 16510 1 . ASP 24 24 16510 1 . GLY 25 25 16510 1 . CYS 26 26 16510 1 . PRO 27 27 16510 1 . ARG 28 28 16510 1 . ALA 29 29 16510 1 . PHE 30 30 16510 1 . HIS 31 31 16510 1 . LEU 32 32 16510 1 . ALA 33 33 16510 1 . CYS 34 34 16510 1 . LEU 35 35 16510 1 . SER 36 36 16510 1 . PRO 37 37 16510 1 . PRO 38 38 16510 1 . LEU 39 39 16510 1 . ARG 40 40 16510 1 . GLU 41 41 16510 1 . ILE 42 42 16510 1 . PRO 43 43 16510 1 . SER 44 44 16510 1 . GLY 45 45 16510 1 . THR 46 46 16510 1 . TRP 47 47 16510 1 . ARG 48 48 16510 1 . CYS 49 49 16510 1 . SER 50 50 16510 1 . SER 51 51 16510 1 . CYS 52 52 16510 1 . LEU 53 53 16510 1 . GLN 54 54 16510 1 . ALA 55 55 16510 1 . THR 56 56 16510 1 . VAL 57 57 16510 1 . GLN 58 58 16510 1 . GLU 59 59 16510 1 . VAL 60 60 16510 1 . GLN 61 61 16510 1 . PRO 62 62 16510 1 . ARG 63 63 16510 1 . ALA 64 64 16510 1 . GLU 65 65 16510 1 . GLU 66 66 16510 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16510 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'histone H3 tail' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTKQTARKS _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1150.343 _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 69 ALA . 16510 2 2 70 ARG . 16510 2 3 71 THR . 16510 2 4 72 LYS . 16510 2 5 73 GLN . 16510 2 6 74 THR . 16510 2 7 75 ALA . 16510 2 8 76 ARG . 16510 2 9 77 LYS . 16510 2 10 78 SER . 16510 2 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 . ALA 1 1 16510 2 . ARG 2 2 16510 2 . THR 3 3 16510 2 . LYS 4 4 16510 2 . GLN 5 5 16510 2 . THR 6 6 16510 2 . ALA 7 7 16510 2 . ARG 8 8 16510 2 . LYS 9 9 16510 2 . SER 10 10 16510 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16510 _Entity.ID 3 _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 no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 16510 3 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 16510 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16510 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16510 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 16510 _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 BL21DE3 . . . . . . . . . . . . . . . 'modified pET24d' . . . . . . 16510 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16510 1 3 3 $ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16510 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 16510 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 16510 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16510 ZN [Zn++] SMILES CACTVS 3.341 16510 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16510 ZN [Zn+2] SMILES ACDLabs 10.04 16510 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16510 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16510 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 16510 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16510 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 . 16510 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16510 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AIRE-PHD1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . . 0.1 0.5 mM . . . . 16510 1 2 H3K4me0 'natural abundance' . . 2 $entity_2 . . . 0.3 1.5 mM . . . . 16510 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16510 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16510 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16510 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16510 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16510 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 16510 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 AIRE-PHD1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 16510 2 2 H3K4me0 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM . . . . 16510 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16510 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16510 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16510 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16510 2 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 16510 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 16510 1 pH 6.3 . pH 16510 1 pressure 1 . atm 16510 1 temperature 295 . K 16510 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16510 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16510 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16510 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16510 _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 16510 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16510 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 16510 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16510 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16510 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16510 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16510 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16510 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_aire-phd1_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode aire-phd1_chem_shift_list _Assigned_chem_shift_list.Entry_ID 16510 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16510 1 2 '3D 1H-13C NOESY' . . . 16510 1 8 '2D 1H-1H NOESY' . . . 16510 1 9 '3D 1H-13C NOESY' . . . 16510 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA . . 16510 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 ALA HA H 1 4.271 0.022 . 1 . . . . 2 ALA HA . 16510 1 2 . 1 1 2 2 ALA HB1 H 1 1.341 0.007 . 1 . . . . 2 ALA HB1 . 16510 1 3 . 1 1 2 2 ALA HB2 H 1 1.341 0.007 . 1 . . . . 2 ALA HB2 . 16510 1 4 . 1 1 2 2 ALA HB3 H 1 1.341 0.007 . 1 . . . . 2 ALA HB3 . 16510 1 5 . 1 1 2 2 ALA C C 13 177.708 0.000 . 1 . . . . 2 ALA C . 16510 1 6 . 1 1 2 2 ALA CA C 13 52.378 0.000 . 1 . . . . 2 ALA CA . 16510 1 7 . 1 1 2 2 ALA CB C 13 19.125 0.000 . 1 . . . . 2 ALA CB . 16510 1 8 . 1 1 3 3 MET H H 1 8.425 0.053 . 1 . . . . 3 MET H . 16510 1 9 . 1 1 3 3 MET HA H 1 4.405 0.009 . 1 . . . . 3 MET HA . 16510 1 10 . 1 1 3 3 MET HB2 H 1 2.008 0.020 . 2 . . . . 3 MET HB2 . 16510 1 11 . 1 1 3 3 MET HB3 H 1 2.003 0.017 . 2 . . . . 3 MET HB3 . 16510 1 12 . 1 1 3 3 MET HG2 H 1 2.583 0.010 . 2 . . . . 3 MET HG2 . 16510 1 13 . 1 1 3 3 MET HG3 H 1 2.534 0.000 . 2 . . . . 3 MET HG3 . 16510 1 14 . 1 1 3 3 MET C C 13 175.822 0.000 . 1 . . . . 3 MET C . 16510 1 15 . 1 1 3 3 MET CA C 13 55.473 0.090 . 1 . . . . 3 MET CA . 16510 1 16 . 1 1 3 3 MET CB C 13 32.848 0.840 . 1 . . . . 3 MET CB . 16510 1 17 . 1 1 3 3 MET CG C 13 32.399 0.000 . 1 . . . . 3 MET CG . 16510 1 18 . 1 1 3 3 MET N N 15 120.166 0.153 . 1 . . . . 3 MET N . 16510 1 19 . 1 1 4 4 ALA H H 1 8.326 0.002 . 1 . . . . 4 ALA H . 16510 1 20 . 1 1 4 4 ALA HA H 1 4.242 0.014 . 1 . . . . 4 ALA HA . 16510 1 21 . 1 1 4 4 ALA HB1 H 1 1.327 0.015 . 1 . . . . 4 ALA HB1 . 16510 1 22 . 1 1 4 4 ALA HB2 H 1 1.327 0.015 . 1 . . . . 4 ALA HB2 . 16510 1 23 . 1 1 4 4 ALA HB3 H 1 1.327 0.015 . 1 . . . . 4 ALA HB3 . 16510 1 24 . 1 1 4 4 ALA C C 13 177.322 0.000 . 1 . . . . 4 ALA C . 16510 1 25 . 1 1 4 4 ALA CA C 13 52.378 0.000 . 1 . . . . 4 ALA CA . 16510 1 26 . 1 1 4 4 ALA CB C 13 19.125 0.000 . 1 . . . . 4 ALA CB . 16510 1 27 . 1 1 4 4 ALA N N 15 125.892 0.093 . 1 . . . . 4 ALA N . 16510 1 28 . 1 1 5 5 GLN H H 1 8.222 0.017 . 1 . . . . 5 GLN H . 16510 1 29 . 1 1 5 5 GLN HA H 1 4.153 0.018 . 1 . . . . 5 GLN HA . 16510 1 30 . 1 1 5 5 GLN HB2 H 1 1.940 0.016 . 2 . . . . 5 GLN HB2 . 16510 1 31 . 1 1 5 5 GLN HB3 H 1 1.934 0.012 . 2 . . . . 5 GLN HB3 . 16510 1 32 . 1 1 5 5 GLN HE21 H 1 7.386 0.007 . 1 . . . . 5 GLN HE21 . 16510 1 33 . 1 1 5 5 GLN HE22 H 1 6.731 0.007 . 1 . . . . 5 GLN HE22 . 16510 1 34 . 1 1 5 5 GLN HG2 H 1 2.256 0.014 . 2 . . . . 5 GLN HG2 . 16510 1 35 . 1 1 5 5 GLN HG3 H 1 2.234 0.017 . 2 . . . . 5 GLN HG3 . 16510 1 36 . 1 1 5 5 GLN C C 13 175.177 0.000 . 1 . . . . 5 GLN C . 16510 1 37 . 1 1 5 5 GLN CA C 13 55.698 0.217 . 1 . . . . 5 GLN CA . 16510 1 38 . 1 1 5 5 GLN CB C 13 29.275 0.000 . 1 . . . . 5 GLN CB . 16510 1 39 . 1 1 5 5 GLN CG C 13 33.601 0.075 . 1 . . . . 5 GLN CG . 16510 1 40 . 1 1 5 5 GLN N N 15 120.230 0.087 . 1 . . . . 5 GLN N . 16510 1 41 . 1 1 5 5 GLN NE2 N 15 112.499 0.048 . 1 . . . . 5 GLN NE2 . 16510 1 42 . 1 1 6 6 LYS H H 1 8.259 0.022 . 1 . . . . 6 LYS H . 16510 1 43 . 1 1 6 6 LYS HA H 1 4.357 0.013 . 1 . . . . 6 LYS HA . 16510 1 44 . 1 1 6 6 LYS HB2 H 1 1.730 0.027 . 2 . . . . 6 LYS HB2 . 16510 1 45 . 1 1 6 6 LYS HB3 H 1 1.669 0.021 . 2 . . . . 6 LYS HB3 . 16510 1 46 . 1 1 6 6 LYS HD2 H 1 1.628 0.024 . 2 . . . . 6 LYS HD2 . 16510 1 47 . 1 1 6 6 LYS HD3 H 1 1.629 0.022 . 2 . . . . 6 LYS HD3 . 16510 1 48 . 1 1 6 6 LYS HE2 H 1 2.941 0.012 . 2 . . . . 6 LYS HE2 . 16510 1 49 . 1 1 6 6 LYS HE3 H 1 2.939 0.011 . 2 . . . . 6 LYS HE3 . 16510 1 50 . 1 1 6 6 LYS HG2 H 1 1.357 0.016 . 2 . . . . 6 LYS HG2 . 16510 1 51 . 1 1 6 6 LYS HG3 H 1 1.351 0.019 . 2 . . . . 6 LYS HG3 . 16510 1 52 . 1 1 6 6 LYS C C 13 175.907 0.000 . 1 . . . . 6 LYS C . 16510 1 53 . 1 1 6 6 LYS CA C 13 56.152 0.077 . 1 . . . . 6 LYS CA . 16510 1 54 . 1 1 6 6 LYS CB C 13 33.289 0.162 . 1 . . . . 6 LYS CB . 16510 1 55 . 1 1 6 6 LYS CD C 13 29.144 0.184 . 1 . . . . 6 LYS CD . 16510 1 56 . 1 1 6 6 LYS CE C 13 42.028 0.074 . 1 . . . . 6 LYS CE . 16510 1 57 . 1 1 6 6 LYS CG C 13 24.545 0.071 . 1 . . . . 6 LYS CG . 16510 1 58 . 1 1 6 6 LYS N N 15 123.638 0.076 . 1 . . . . 6 LYS N . 16510 1 59 . 1 1 7 7 ASN H H 1 8.190 0.005 . 1 . . . . 7 ASN H . 16510 1 60 . 1 1 7 7 ASN HA H 1 5.275 0.013 . 1 . . . . 7 ASN HA . 16510 1 61 . 1 1 7 7 ASN HB2 H 1 2.557 0.011 . 2 . . . . 7 ASN HB2 . 16510 1 62 . 1 1 7 7 ASN HB3 H 1 2.344 0.020 . 2 . . . . 7 ASN HB3 . 16510 1 63 . 1 1 7 7 ASN HD21 H 1 7.513 0.008 . 1 . . . . 7 ASN HD21 . 16510 1 64 . 1 1 7 7 ASN HD22 H 1 6.865 0.001 . 1 . . . . 7 ASN HD22 . 16510 1 65 . 1 1 7 7 ASN C C 13 175.377 0.000 . 1 . . . . 7 ASN C . 16510 1 66 . 1 1 7 7 ASN CA C 13 53.710 0.093 . 1 . . . . 7 ASN CA . 16510 1 67 . 1 1 7 7 ASN CB C 13 42.980 0.078 . 1 . . . . 7 ASN CB . 16510 1 68 . 1 1 7 7 ASN N N 15 118.641 0.132 . 1 . . . . 7 ASN N . 16510 1 69 . 1 1 7 7 ASN ND2 N 15 112.783 0.080 . 1 . . . . 7 ASN ND2 . 16510 1 70 . 1 1 8 8 GLU H H 1 9.042 0.009 . 1 . . . . 8 GLU H . 16510 1 71 . 1 1 8 8 GLU HA H 1 3.989 0.008 . 1 . . . . 8 GLU HA . 16510 1 72 . 1 1 8 8 GLU HB2 H 1 2.112 0.028 . 2 . . . . 8 GLU HB2 . 16510 1 73 . 1 1 8 8 GLU HB3 H 1 2.078 0.013 . 2 . . . . 8 GLU HB3 . 16510 1 74 . 1 1 8 8 GLU HG2 H 1 2.371 0.011 . 2 . . . . 8 GLU HG2 . 16510 1 75 . 1 1 8 8 GLU HG3 H 1 2.296 0.049 . 2 . . . . 8 GLU HG3 . 16510 1 76 . 1 1 8 8 GLU C C 13 175.587 0.000 . 1 . . . . 8 GLU C . 16510 1 77 . 1 1 8 8 GLU CA C 13 56.861 0.116 . 1 . . . . 8 GLU CA . 16510 1 78 . 1 1 8 8 GLU CB C 13 31.142 0.060 . 1 . . . . 8 GLU CB . 16510 1 79 . 1 1 8 8 GLU CG C 13 37.455 0.052 . 1 . . . . 8 GLU CG . 16510 1 80 . 1 1 8 8 GLU N N 15 119.788 0.063 . 1 . . . . 8 GLU N . 16510 1 81 . 1 1 9 9 ASP H H 1 8.461 0.008 . 1 . . . . 9 ASP H . 16510 1 82 . 1 1 9 9 ASP HA H 1 4.490 0.018 . 1 . . . . 9 ASP HA . 16510 1 83 . 1 1 9 9 ASP HB2 H 1 2.907 0.012 . 2 . . . . 9 ASP HB2 . 16510 1 84 . 1 1 9 9 ASP HB3 H 1 2.377 0.008 . 2 . . . . 9 ASP HB3 . 16510 1 85 . 1 1 9 9 ASP C C 13 174.190 0.000 . 1 . . . . 9 ASP C . 16510 1 86 . 1 1 9 9 ASP CA C 13 54.356 0.059 . 1 . . . . 9 ASP CA . 16510 1 87 . 1 1 9 9 ASP CB C 13 41.879 0.105 . 1 . . . . 9 ASP CB . 16510 1 88 . 1 1 9 9 ASP N N 15 116.364 0.090 . 1 . . . . 9 ASP N . 16510 1 89 . 1 1 10 10 GLU H H 1 6.969 0.012 . 1 . . . . 10 GLU H . 16510 1 90 . 1 1 10 10 GLU HA H 1 4.084 0.017 . 1 . . . . 10 GLU HA . 16510 1 91 . 1 1 10 10 GLU HB2 H 1 1.454 0.026 . 2 . . . . 10 GLU HB2 . 16510 1 92 . 1 1 10 10 GLU HB3 H 1 1.412 0.018 . 2 . . . . 10 GLU HB3 . 16510 1 93 . 1 1 10 10 GLU HG2 H 1 1.902 0.007 . 2 . . . . 10 GLU HG2 . 16510 1 94 . 1 1 10 10 GLU HG3 H 1 1.718 0.006 . 2 . . . . 10 GLU HG3 . 16510 1 95 . 1 1 10 10 GLU C C 13 171.930 0.000 . 1 . . . . 10 GLU C . 16510 1 96 . 1 1 10 10 GLU CA C 13 53.633 0.142 . 1 . . . . 10 GLU CA . 16510 1 97 . 1 1 10 10 GLU CB C 13 32.621 0.125 . 1 . . . . 10 GLU CB . 16510 1 98 . 1 1 10 10 GLU CG C 13 34.965 0.200 . 1 . . . . 10 GLU CG . 16510 1 99 . 1 1 10 10 GLU N N 15 116.028 0.079 . 1 . . . . 10 GLU N . 16510 1 100 . 1 1 11 11 CYS H H 1 8.197 0.016 . 1 . . . . 11 CYS H . 16510 1 101 . 1 1 11 11 CYS HA H 1 4.061 0.027 . 1 . . . . 11 CYS HA . 16510 1 102 . 1 1 11 11 CYS HB2 H 1 3.321 0.013 . 2 . . . . 11 CYS HB2 . 16510 1 103 . 1 1 11 11 CYS HB3 H 1 1.936 0.017 . 2 . . . . 11 CYS HB3 . 16510 1 104 . 1 1 11 11 CYS C C 13 177.575 0.000 . 1 . . . . 11 CYS C . 16510 1 105 . 1 1 11 11 CYS CA C 13 57.402 0.072 . 1 . . . . 11 CYS CA . 16510 1 106 . 1 1 11 11 CYS CB C 13 31.391 0.096 . 1 . . . . 11 CYS CB . 16510 1 107 . 1 1 11 11 CYS N N 15 122.053 0.083 . 1 . . . . 11 CYS N . 16510 1 108 . 1 1 12 12 ALA H H 1 8.872 0.009 . 1 . . . . 12 ALA H . 16510 1 109 . 1 1 12 12 ALA HA H 1 3.956 0.030 . 1 . . . . 12 ALA HA . 16510 1 110 . 1 1 12 12 ALA HB1 H 1 1.254 0.027 . 1 . . . . 12 ALA HB1 . 16510 1 111 . 1 1 12 12 ALA HB2 H 1 1.254 0.027 . 1 . . . . 12 ALA HB2 . 16510 1 112 . 1 1 12 12 ALA HB3 H 1 1.254 0.027 . 1 . . . . 12 ALA HB3 . 16510 1 113 . 1 1 12 12 ALA C C 13 178.193 0.000 . 1 . . . . 12 ALA C . 16510 1 114 . 1 1 12 12 ALA CA C 13 54.626 0.077 . 1 . . . . 12 ALA CA . 16510 1 115 . 1 1 12 12 ALA CB C 13 18.814 0.087 . 1 . . . . 12 ALA CB . 16510 1 116 . 1 1 12 12 ALA N N 15 132.681 0.066 . 1 . . . . 12 ALA N . 16510 1 117 . 1 1 13 13 VAL H H 1 8.960 0.016 . 1 . . . . 13 VAL H . 16510 1 118 . 1 1 13 13 VAL HA H 1 4.012 0.022 . 1 . . . . 13 VAL HA . 16510 1 119 . 1 1 13 13 VAL HB H 1 2.321 0.011 . 1 . . . . 13 VAL HB . 16510 1 120 . 1 1 13 13 VAL HG11 H 1 1.096 0.012 . 2 . . . . 13 VAL HG11 . 16510 1 121 . 1 1 13 13 VAL HG12 H 1 1.096 0.012 . 2 . . . . 13 VAL HG12 . 16510 1 122 . 1 1 13 13 VAL HG13 H 1 1.096 0.012 . 2 . . . . 13 VAL HG13 . 16510 1 123 . 1 1 13 13 VAL HG21 H 1 1.305 0.011 . 2 . . . . 13 VAL HG21 . 16510 1 124 . 1 1 13 13 VAL HG22 H 1 1.305 0.011 . 2 . . . . 13 VAL HG22 . 16510 1 125 . 1 1 13 13 VAL HG23 H 1 1.305 0.011 . 2 . . . . 13 VAL HG23 . 16510 1 126 . 1 1 13 13 VAL C C 13 176.920 0.000 . 1 . . . . 13 VAL C . 16510 1 127 . 1 1 13 13 VAL CA C 13 65.282 0.097 . 1 . . . . 13 VAL CA . 16510 1 128 . 1 1 13 13 VAL CB C 13 33.256 0.068 . 1 . . . . 13 VAL CB . 16510 1 129 . 1 1 13 13 VAL CG1 C 13 20.457 0.106 . 2 . . . . 13 VAL CG1 . 16510 1 130 . 1 1 13 13 VAL CG2 C 13 21.444 0.106 . 2 . . . . 13 VAL CG2 . 16510 1 131 . 1 1 13 13 VAL N N 15 119.548 0.164 . 1 . . . . 13 VAL N . 16510 1 132 . 1 1 14 14 CYS H H 1 8.009 0.010 . 1 . . . . 14 CYS H . 16510 1 133 . 1 1 14 14 CYS HA H 1 4.886 0.008 . 1 . . . . 14 CYS HA . 16510 1 134 . 1 1 14 14 CYS HB2 H 1 3.303 0.008 . 2 . . . . 14 CYS HB2 . 16510 1 135 . 1 1 14 14 CYS HB3 H 1 2.905 0.014 . 2 . . . . 14 CYS HB3 . 16510 1 136 . 1 1 14 14 CYS C C 13 175.968 0.000 . 1 . . . . 14 CYS C . 16510 1 137 . 1 1 14 14 CYS CA C 13 59.182 0.142 . 1 . . . . 14 CYS CA . 16510 1 138 . 1 1 14 14 CYS CB C 13 31.116 0.072 . 1 . . . . 14 CYS CB . 16510 1 139 . 1 1 14 14 CYS N N 15 117.099 0.067 . 1 . . . . 14 CYS N . 16510 1 140 . 1 1 15 15 ARG H H 1 8.056 0.009 . 1 . . . . 15 ARG H . 16510 1 141 . 1 1 15 15 ARG HA H 1 3.993 0.015 . 1 . . . . 15 ARG HA . 16510 1 142 . 1 1 15 15 ARG HB2 H 1 2.111 0.020 . 2 . . . . 15 ARG HB2 . 16510 1 143 . 1 1 15 15 ARG HB3 H 1 1.975 0.014 . 2 . . . . 15 ARG HB3 . 16510 1 144 . 1 1 15 15 ARG HD2 H 1 3.097 0.013 . 1 . . . . 15 ARG HD2 . 16510 1 145 . 1 1 15 15 ARG HD3 H 1 3.097 0.013 . 1 . . . . 15 ARG HD3 . 16510 1 146 . 1 1 15 15 ARG HG2 H 1 1.577 0.014 . 2 . . . . 15 ARG HG2 . 16510 1 147 . 1 1 15 15 ARG HG3 H 1 1.374 0.015 . 2 . . . . 15 ARG HG3 . 16510 1 148 . 1 1 15 15 ARG C C 13 176.054 0.000 . 1 . . . . 15 ARG C . 16510 1 149 . 1 1 15 15 ARG CA C 13 56.829 0.089 . 1 . . . . 15 ARG CA . 16510 1 150 . 1 1 15 15 ARG CB C 13 25.740 0.079 . 1 . . . . 15 ARG CB . 16510 1 151 . 1 1 15 15 ARG CD C 13 42.328 0.091 . 1 . . . . 15 ARG CD . 16510 1 152 . 1 1 15 15 ARG CG C 13 26.440 0.087 . 1 . . . . 15 ARG CG . 16510 1 153 . 1 1 15 15 ARG N N 15 117.025 0.109 . 1 . . . . 15 ARG N . 16510 1 154 . 1 1 16 16 ASP H H 1 8.156 0.005 . 1 . . . . 16 ASP H . 16510 1 155 . 1 1 16 16 ASP HA H 1 5.285 0.009 . 1 . . . . 16 ASP HA . 16510 1 156 . 1 1 16 16 ASP HB2 H 1 2.921 0.012 . 2 . . . . 16 ASP HB2 . 16510 1 157 . 1 1 16 16 ASP HB3 H 1 2.739 0.011 . 2 . . . . 16 ASP HB3 . 16510 1 158 . 1 1 16 16 ASP C C 13 177.426 0.000 . 1 . . . . 16 ASP C . 16510 1 159 . 1 1 16 16 ASP CA C 13 51.763 0.082 . 1 . . . . 16 ASP CA . 16510 1 160 . 1 1 16 16 ASP CB C 13 44.221 0.154 . 1 . . . . 16 ASP CB . 16510 1 161 . 1 1 16 16 ASP N N 15 118.971 0.105 . 1 . . . . 16 ASP N . 16510 1 162 . 1 1 17 17 GLY H H 1 9.088 0.009 . 1 . . . . 17 GLY H . 16510 1 163 . 1 1 17 17 GLY HA2 H 1 4.115 0.017 . 2 . . . . 17 GLY HA2 . 16510 1 164 . 1 1 17 17 GLY HA3 H 1 3.878 0.016 . 2 . . . . 17 GLY HA3 . 16510 1 165 . 1 1 17 17 GLY C C 13 172.564 0.000 . 1 . . . . 17 GLY C . 16510 1 166 . 1 1 17 17 GLY CA C 13 43.946 0.076 . 1 . . . . 17 GLY CA . 16510 1 167 . 1 1 17 17 GLY N N 15 108.736 0.077 . 1 . . . . 17 GLY N . 16510 1 168 . 1 1 18 18 GLY H H 1 7.730 0.011 . 1 . . . . 18 GLY H . 16510 1 169 . 1 1 18 18 GLY HA2 H 1 4.575 0.011 . 2 . . . . 18 GLY HA2 . 16510 1 170 . 1 1 18 18 GLY HA3 H 1 3.726 0.025 . 2 . . . . 18 GLY HA3 . 16510 1 171 . 1 1 18 18 GLY C C 13 171.854 0.000 . 1 . . . . 18 GLY C . 16510 1 172 . 1 1 18 18 GLY CA C 13 43.966 0.076 . 1 . . . . 18 GLY CA . 16510 1 173 . 1 1 18 18 GLY N N 15 110.312 0.086 . 1 . . . . 18 GLY N . 16510 1 174 . 1 1 19 19 GLU H H 1 8.757 0.018 . 1 . . . . 19 GLU H . 16510 1 175 . 1 1 19 19 GLU HA H 1 4.618 0.018 . 1 . . . . 19 GLU HA . 16510 1 176 . 1 1 19 19 GLU HB2 H 1 2.083 0.025 . 2 . . . . 19 GLU HB2 . 16510 1 177 . 1 1 19 19 GLU HB3 H 1 2.034 0.011 . 2 . . . . 19 GLU HB3 . 16510 1 178 . 1 1 19 19 GLU HG2 H 1 2.065 0.028 . 2 . . . . 19 GLU HG2 . 16510 1 179 . 1 1 19 19 GLU HG3 H 1 1.975 0.044 . 2 . . . . 19 GLU HG3 . 16510 1 180 . 1 1 19 19 GLU C C 13 175.078 0.000 . 1 . . . . 19 GLU C . 16510 1 181 . 1 1 19 19 GLU CA C 13 56.441 0.128 . 1 . . . . 19 GLU CA . 16510 1 182 . 1 1 19 19 GLU CB C 13 29.887 0.087 . 1 . . . . 19 GLU CB . 16510 1 183 . 1 1 19 19 GLU CG C 13 36.445 0.071 . 1 . . . . 19 GLU CG . 16510 1 184 . 1 1 19 19 GLU N N 15 125.258 0.064 . 1 . . . . 19 GLU N . 16510 1 185 . 1 1 20 20 LEU H H 1 8.829 0.009 . 1 . . . . 20 LEU H . 16510 1 186 . 1 1 20 20 LEU HA H 1 4.848 0.018 . 1 . . . . 20 LEU HA . 16510 1 187 . 1 1 20 20 LEU HB2 H 1 1.236 0.013 . 2 . . . . 20 LEU HB2 . 16510 1 188 . 1 1 20 20 LEU HB3 H 1 1.005 0.023 . 2 . . . . 20 LEU HB3 . 16510 1 189 . 1 1 20 20 LEU HD11 H 1 0.191 0.017 . 2 . . . . 20 LEU HD11 . 16510 1 190 . 1 1 20 20 LEU HD12 H 1 0.191 0.017 . 2 . . . . 20 LEU HD12 . 16510 1 191 . 1 1 20 20 LEU HD13 H 1 0.191 0.017 . 2 . . . . 20 LEU HD13 . 16510 1 192 . 1 1 20 20 LEU HD21 H 1 -0.208 0.013 . 2 . . . . 20 LEU HD21 . 16510 1 193 . 1 1 20 20 LEU HD22 H 1 -0.208 0.013 . 2 . . . . 20 LEU HD22 . 16510 1 194 . 1 1 20 20 LEU HD23 H 1 -0.208 0.013 . 2 . . . . 20 LEU HD23 . 16510 1 195 . 1 1 20 20 LEU HG H 1 1.254 0.012 . 1 . . . . 20 LEU HG . 16510 1 196 . 1 1 20 20 LEU C C 13 176.527 0.000 . 1 . . . . 20 LEU C . 16510 1 197 . 1 1 20 20 LEU CA C 13 52.579 0.160 . 1 . . . . 20 LEU CA . 16510 1 198 . 1 1 20 20 LEU CB C 13 44.869 0.088 . 1 . . . . 20 LEU CB . 16510 1 199 . 1 1 20 20 LEU CD1 C 13 26.092 0.149 . 2 . . . . 20 LEU CD1 . 16510 1 200 . 1 1 20 20 LEU CD2 C 13 22.650 0.071 . 2 . . . . 20 LEU CD2 . 16510 1 201 . 1 1 20 20 LEU CG C 13 25.685 0.126 . 1 . . . . 20 LEU CG . 16510 1 202 . 1 1 20 20 LEU N N 15 127.072 0.067 . 1 . . . . 20 LEU N . 16510 1 203 . 1 1 21 21 ILE H H 1 9.462 0.011 . 1 . . . . 21 ILE H . 16510 1 204 . 1 1 21 21 ILE HA H 1 4.716 0.016 . 1 . . . . 21 ILE HA . 16510 1 205 . 1 1 21 21 ILE HB H 1 1.154 0.015 . 1 . . . . 21 ILE HB . 16510 1 206 . 1 1 21 21 ILE HD11 H 1 -0.426 0.010 . 1 . . . . 21 ILE HD11 . 16510 1 207 . 1 1 21 21 ILE HD12 H 1 -0.426 0.010 . 1 . . . . 21 ILE HD12 . 16510 1 208 . 1 1 21 21 ILE HD13 H 1 -0.426 0.010 . 1 . . . . 21 ILE HD13 . 16510 1 209 . 1 1 21 21 ILE HG12 H 1 1.134 0.011 . 2 . . . . 21 ILE HG12 . 16510 1 210 . 1 1 21 21 ILE HG13 H 1 0.619 0.018 . 2 . . . . 21 ILE HG13 . 16510 1 211 . 1 1 21 21 ILE HG21 H 1 0.350 0.015 . 1 . . . . 21 ILE HG21 . 16510 1 212 . 1 1 21 21 ILE HG22 H 1 0.350 0.015 . 1 . . . . 21 ILE HG22 . 16510 1 213 . 1 1 21 21 ILE HG23 H 1 0.350 0.015 . 1 . . . . 21 ILE HG23 . 16510 1 214 . 1 1 21 21 ILE C C 13 174.421 0.000 . 1 . . . . 21 ILE C . 16510 1 215 . 1 1 21 21 ILE CA C 13 59.710 0.026 . 1 . . . . 21 ILE CA . 16510 1 216 . 1 1 21 21 ILE CB C 13 40.483 0.086 . 1 . . . . 21 ILE CB . 16510 1 217 . 1 1 21 21 ILE CD1 C 13 13.907 0.084 . 1 . . . . 21 ILE CD1 . 16510 1 218 . 1 1 21 21 ILE CG1 C 13 28.314 0.087 . 1 . . . . 21 ILE CG1 . 16510 1 219 . 1 1 21 21 ILE CG2 C 13 15.407 0.108 . 1 . . . . 21 ILE CG2 . 16510 1 220 . 1 1 21 21 ILE N N 15 120.110 0.130 . 1 . . . . 21 ILE N . 16510 1 221 . 1 1 22 22 CYS H H 1 8.045 0.008 . 1 . . . . 22 CYS H . 16510 1 222 . 1 1 22 22 CYS HA H 1 4.509 0.009 . 1 . . . . 22 CYS HA . 16510 1 223 . 1 1 22 22 CYS HB2 H 1 2.661 0.018 . 2 . . . . 22 CYS HB2 . 16510 1 224 . 1 1 22 22 CYS HB3 H 1 2.629 0.024 . 2 . . . . 22 CYS HB3 . 16510 1 225 . 1 1 22 22 CYS CA C 13 58.705 0.080 . 1 . . . . 22 CYS CA . 16510 1 226 . 1 1 22 22 CYS CB C 13 30.070 0.161 . 1 . . . . 22 CYS CB . 16510 1 227 . 1 1 22 22 CYS N N 15 123.296 0.075 . 1 . . . . 22 CYS N . 16510 1 228 . 1 1 23 23 CYS H H 1 8.571 0.009 . 1 . . . . 23 CYS H . 16510 1 229 . 1 1 23 23 CYS HA H 1 4.789 0.014 . 1 . . . . 23 CYS HA . 16510 1 230 . 1 1 23 23 CYS HB2 H 1 3.790 0.014 . 2 . . . . 23 CYS HB2 . 16510 1 231 . 1 1 23 23 CYS HB3 H 1 2.849 0.016 . 2 . . . . 23 CYS HB3 . 16510 1 232 . 1 1 23 23 CYS C C 13 176.360 0.000 . 1 . . . . 23 CYS C . 16510 1 233 . 1 1 23 23 CYS CA C 13 61.680 0.000 . 1 . . . . 23 CYS CA . 16510 1 234 . 1 1 23 23 CYS CB C 13 30.195 0.081 . 1 . . . . 23 CYS CB . 16510 1 235 . 1 1 23 23 CYS N N 15 125.883 0.045 . 1 . . . . 23 CYS N . 16510 1 236 . 1 1 24 24 ASP H H 1 9.121 0.012 . 1 . . . . 24 ASP H . 16510 1 237 . 1 1 24 24 ASP HA H 1 4.950 0.012 . 1 . . . . 24 ASP HA . 16510 1 238 . 1 1 24 24 ASP HB2 H 1 2.879 0.022 . 2 . . . . 24 ASP HB2 . 16510 1 239 . 1 1 24 24 ASP HB3 H 1 2.565 0.019 . 2 . . . . 24 ASP HB3 . 16510 1 240 . 1 1 24 24 ASP C C 13 176.486 0.000 . 1 . . . . 24 ASP C . 16510 1 241 . 1 1 24 24 ASP CA C 13 56.382 0.237 . 1 . . . . 24 ASP CA . 16510 1 242 . 1 1 24 24 ASP CB C 13 41.738 0.075 . 1 . . . . 24 ASP CB . 16510 1 243 . 1 1 24 24 ASP N N 15 125.234 0.081 . 1 . . . . 24 ASP N . 16510 1 244 . 1 1 25 25 GLY H H 1 10.880 0.005 . 1 . . . . 25 GLY H . 16510 1 245 . 1 1 25 25 GLY HA2 H 1 4.353 0.007 . 2 . . . . 25 GLY HA2 . 16510 1 246 . 1 1 25 25 GLY HA3 H 1 3.965 0.010 . 2 . . . . 25 GLY HA3 . 16510 1 247 . 1 1 25 25 GLY C C 13 172.117 0.000 . 1 . . . . 25 GLY C . 16510 1 248 . 1 1 25 25 GLY CA C 13 45.559 0.070 . 1 . . . . 25 GLY CA . 16510 1 249 . 1 1 25 25 GLY N N 15 116.622 0.043 . 1 . . . . 25 GLY N . 16510 1 250 . 1 1 26 26 CYS H H 1 8.089 0.006 . 1 . . . . 26 CYS H . 16510 1 251 . 1 1 26 26 CYS HA H 1 4.879 0.005 . 1 . . . . 26 CYS HA . 16510 1 252 . 1 1 26 26 CYS HB2 H 1 3.136 0.012 . 2 . . . . 26 CYS HB2 . 16510 1 253 . 1 1 26 26 CYS HB3 H 1 2.642 0.015 . 2 . . . . 26 CYS HB3 . 16510 1 254 . 1 1 26 26 CYS CA C 13 57.740 0.078 . 1 . . . . 26 CYS CA . 16510 1 255 . 1 1 26 26 CYS CB C 13 30.472 0.082 . 1 . . . . 26 CYS CB . 16510 1 256 . 1 1 26 26 CYS N N 15 124.926 0.109 . 1 . . . . 26 CYS N . 16510 1 257 . 1 1 27 27 PRO HA H 1 4.743 0.005 . 1 . . . . 27 PRO HA . 16510 1 258 . 1 1 27 27 PRO HB2 H 1 2.411 0.030 . 2 . . . . 27 PRO HB2 . 16510 1 259 . 1 1 27 27 PRO HB3 H 1 1.934 0.013 . 2 . . . . 27 PRO HB3 . 16510 1 260 . 1 1 27 27 PRO HD2 H 1 3.725 0.009 . 2 . . . . 27 PRO HD2 . 16510 1 261 . 1 1 27 27 PRO HD3 H 1 3.471 0.019 . 2 . . . . 27 PRO HD3 . 16510 1 262 . 1 1 27 27 PRO HG2 H 1 1.908 0.000 . 1 . . . . 27 PRO HG2 . 16510 1 263 . 1 1 27 27 PRO HG3 H 1 1.908 0.000 . 1 . . . . 27 PRO HG3 . 16510 1 264 . 1 1 27 27 PRO C C 13 177.233 0.000 . 1 . . . . 27 PRO C . 16510 1 265 . 1 1 27 27 PRO CA C 13 63.900 0.000 . 1 . . . . 27 PRO CA . 16510 1 266 . 1 1 27 27 PRO CB C 13 32.950 0.071 . 1 . . . . 27 PRO CB . 16510 1 267 . 1 1 27 27 PRO CD C 13 50.843 0.092 . 1 . . . . 27 PRO CD . 16510 1 268 . 1 1 28 28 ARG H H 1 8.965 0.021 . 1 . . . . 28 ARG H . 16510 1 269 . 1 1 28 28 ARG HA H 1 4.013 0.047 . 1 . . . . 28 ARG HA . 16510 1 270 . 1 1 28 28 ARG HB2 H 1 1.864 0.017 . 2 . . . . 28 ARG HB2 . 16510 1 271 . 1 1 28 28 ARG HB3 H 1 1.416 0.019 . 2 . . . . 28 ARG HB3 . 16510 1 272 . 1 1 28 28 ARG HD2 H 1 3.476 0.012 . 2 . . . . 28 ARG HD2 . 16510 1 273 . 1 1 28 28 ARG HD3 H 1 3.108 0.016 . 2 . . . . 28 ARG HD3 . 16510 1 274 . 1 1 28 28 ARG HG2 H 1 2.065 0.014 . 2 . . . . 28 ARG HG2 . 16510 1 275 . 1 1 28 28 ARG HG3 H 1 1.637 0.013 . 2 . . . . 28 ARG HG3 . 16510 1 276 . 1 1 28 28 ARG C C 13 174.497 0.000 . 1 . . . . 28 ARG C . 16510 1 277 . 1 1 28 28 ARG CA C 13 58.724 0.167 . 1 . . . . 28 ARG CA . 16510 1 278 . 1 1 28 28 ARG CB C 13 32.360 0.075 . 1 . . . . 28 ARG CB . 16510 1 279 . 1 1 28 28 ARG CD C 13 44.543 0.075 . 1 . . . . 28 ARG CD . 16510 1 280 . 1 1 28 28 ARG CG C 13 29.888 0.132 . 1 . . . . 28 ARG CG . 16510 1 281 . 1 1 28 28 ARG N N 15 121.163 0.131 . 1 . . . . 28 ARG N . 16510 1 282 . 1 1 29 29 ALA H H 1 8.895 0.027 . 1 . . . . 29 ALA H . 16510 1 283 . 1 1 29 29 ALA HA H 1 5.304 0.016 . 1 . . . . 29 ALA HA . 16510 1 284 . 1 1 29 29 ALA HB1 H 1 1.044 0.018 . 1 . . . . 29 ALA HB1 . 16510 1 285 . 1 1 29 29 ALA HB2 H 1 1.044 0.018 . 1 . . . . 29 ALA HB2 . 16510 1 286 . 1 1 29 29 ALA HB3 H 1 1.044 0.018 . 1 . . . . 29 ALA HB3 . 16510 1 287 . 1 1 29 29 ALA C C 13 175.274 0.000 . 1 . . . . 29 ALA C . 16510 1 288 . 1 1 29 29 ALA CA C 13 50.537 0.072 . 1 . . . . 29 ALA CA . 16510 1 289 . 1 1 29 29 ALA CB C 13 23.578 0.075 . 1 . . . . 29 ALA CB . 16510 1 290 . 1 1 29 29 ALA N N 15 124.292 0.072 . 1 . . . . 29 ALA N . 16510 1 291 . 1 1 30 30 PHE H H 1 8.819 0.018 . 1 . . . . 30 PHE H . 16510 1 292 . 1 1 30 30 PHE HA H 1 5.646 0.018 . 1 . . . . 30 PHE HA . 16510 1 293 . 1 1 30 30 PHE HB2 H 1 3.056 0.014 . 2 . . . . 30 PHE HB2 . 16510 1 294 . 1 1 30 30 PHE HB3 H 1 2.371 0.015 . 2 . . . . 30 PHE HB3 . 16510 1 295 . 1 1 30 30 PHE HD1 H 1 7.235 0.025 . 3 . . . . 30 PHE HD1 . 16510 1 296 . 1 1 30 30 PHE HD2 H 1 7.235 0.025 . 3 . . . . 30 PHE HD2 . 16510 1 297 . 1 1 30 30 PHE HE1 H 1 7.247 0.031 . 3 . . . . 30 PHE HE1 . 16510 1 298 . 1 1 30 30 PHE HE2 H 1 7.247 0.031 . 3 . . . . 30 PHE HE2 . 16510 1 299 . 1 1 30 30 PHE HZ H 1 7.356 0.033 . 1 . . . . 30 PHE HZ . 16510 1 300 . 1 1 30 30 PHE C C 13 176.756 0.000 . 1 . . . . 30 PHE C . 16510 1 301 . 1 1 30 30 PHE CA C 13 56.810 0.097 . 1 . . . . 30 PHE CA . 16510 1 302 . 1 1 30 30 PHE CB C 13 45.183 0.092 . 1 . . . . 30 PHE CB . 16510 1 303 . 1 1 30 30 PHE CD1 C 13 132.482 0.094 . 3 . . . . 30 PHE CD1 . 16510 1 304 . 1 1 30 30 PHE CD2 C 13 132.482 0.094 . 3 . . . . 30 PHE CD2 . 16510 1 305 . 1 1 30 30 PHE CZ C 13 129.781 0.165 . 1 . . . . 30 PHE CZ . 16510 1 306 . 1 1 30 30 PHE N N 15 113.433 0.085 . 1 . . . . 30 PHE N . 16510 1 307 . 1 1 31 31 HIS H H 1 8.833 0.008 . 1 . . . . 31 HIS H . 16510 1 308 . 1 1 31 31 HIS HA H 1 4.934 0.012 . 1 . . . . 31 HIS HA . 16510 1 309 . 1 1 31 31 HIS HB2 H 1 3.623 0.033 . 2 . . . . 31 HIS HB2 . 16510 1 310 . 1 1 31 31 HIS HB3 H 1 3.550 0.025 . 2 . . . . 31 HIS HB3 . 16510 1 311 . 1 1 31 31 HIS HD2 H 1 7.405 0.024 . 1 . . . . 31 HIS HD2 . 16510 1 312 . 1 1 31 31 HIS HE1 H 1 7.297 0.030 . 1 . . . . 31 HIS HE1 . 16510 1 313 . 1 1 31 31 HIS HE2 H 1 11.328 0.021 . 1 . . . . 31 HIS HE2 . 16510 1 314 . 1 1 31 31 HIS C C 13 177.655 0.000 . 1 . . . . 31 HIS C . 16510 1 315 . 1 1 31 31 HIS CA C 13 58.388 0.069 . 1 . . . . 31 HIS CA . 16510 1 316 . 1 1 31 31 HIS CB C 13 30.518 0.073 . 1 . . . . 31 HIS CB . 16510 1 317 . 1 1 31 31 HIS CD2 C 13 118.827 0.117 . 1 . . . . 31 HIS CD2 . 16510 1 318 . 1 1 31 31 HIS CE1 C 13 139.043 0.056 . 1 . . . . 31 HIS CE1 . 16510 1 319 . 1 1 31 31 HIS N N 15 121.205 0.065 . 1 . . . . 31 HIS N . 16510 1 320 . 1 1 32 32 LEU H H 1 9.053 0.010 . 1 . . . . 32 LEU H . 16510 1 321 . 1 1 32 32 LEU HA H 1 3.801 0.021 . 1 . . . . 32 LEU HA . 16510 1 322 . 1 1 32 32 LEU HB2 H 1 1.793 0.012 . 2 . . . . 32 LEU HB2 . 16510 1 323 . 1 1 32 32 LEU HB3 H 1 1.525 0.011 . 2 . . . . 32 LEU HB3 . 16510 1 324 . 1 1 32 32 LEU HD11 H 1 0.604 0.026 . 2 . . . . 32 LEU HD11 . 16510 1 325 . 1 1 32 32 LEU HD12 H 1 0.604 0.026 . 2 . . . . 32 LEU HD12 . 16510 1 326 . 1 1 32 32 LEU HD13 H 1 0.604 0.026 . 2 . . . . 32 LEU HD13 . 16510 1 327 . 1 1 32 32 LEU HD21 H 1 0.501 0.015 . 2 . . . . 32 LEU HD21 . 16510 1 328 . 1 1 32 32 LEU HD22 H 1 0.501 0.015 . 2 . . . . 32 LEU HD22 . 16510 1 329 . 1 1 32 32 LEU HD23 H 1 0.501 0.015 . 2 . . . . 32 LEU HD23 . 16510 1 330 . 1 1 32 32 LEU HG H 1 1.592 0.026 . 1 . . . . 32 LEU HG . 16510 1 331 . 1 1 32 32 LEU C C 13 179.524 0.000 . 1 . . . . 32 LEU C . 16510 1 332 . 1 1 32 32 LEU CA C 13 59.304 0.071 . 1 . . . . 32 LEU CA . 16510 1 333 . 1 1 32 32 LEU CB C 13 40.131 0.113 . 1 . . . . 32 LEU CB . 16510 1 334 . 1 1 32 32 LEU CD1 C 13 24.792 0.131 . 2 . . . . 32 LEU CD1 . 16510 1 335 . 1 1 32 32 LEU CD2 C 13 23.277 0.106 . 2 . . . . 32 LEU CD2 . 16510 1 336 . 1 1 32 32 LEU CG C 13 28.093 0.053 . 1 . . . . 32 LEU CG . 16510 1 337 . 1 1 32 32 LEU N N 15 124.717 0.082 . 1 . . . . 32 LEU N . 16510 1 338 . 1 1 33 33 ALA H H 1 8.323 0.007 . 1 . . . . 33 ALA H . 16510 1 339 . 1 1 33 33 ALA HA H 1 4.303 0.010 . 1 . . . . 33 ALA HA . 16510 1 340 . 1 1 33 33 ALA HB1 H 1 1.446 0.011 . 1 . . . . 33 ALA HB1 . 16510 1 341 . 1 1 33 33 ALA HB2 H 1 1.446 0.011 . 1 . . . . 33 ALA HB2 . 16510 1 342 . 1 1 33 33 ALA HB3 H 1 1.446 0.011 . 1 . . . . 33 ALA HB3 . 16510 1 343 . 1 1 33 33 ALA C C 13 178.430 0.000 . 1 . . . . 33 ALA C . 16510 1 344 . 1 1 33 33 ALA CA C 13 52.991 0.320 . 1 . . . . 33 ALA CA . 16510 1 345 . 1 1 33 33 ALA CB C 13 18.685 0.113 . 1 . . . . 33 ALA CB . 16510 1 346 . 1 1 33 33 ALA N N 15 114.356 0.080 . 1 . . . . 33 ALA N . 16510 1 347 . 1 1 34 34 CYS H H 1 7.565 0.008 . 1 . . . . 34 CYS H . 16510 1 348 . 1 1 34 34 CYS HA H 1 4.354 0.017 . 1 . . . . 34 CYS HA . 16510 1 349 . 1 1 34 34 CYS HB2 H 1 3.296 0.011 . 2 . . . . 34 CYS HB2 . 16510 1 350 . 1 1 34 34 CYS HB3 H 1 3.044 0.020 . 2 . . . . 34 CYS HB3 . 16510 1 351 . 1 1 34 34 CYS C C 13 175.111 0.000 . 1 . . . . 34 CYS C . 16510 1 352 . 1 1 34 34 CYS CA C 13 61.308 0.075 . 1 . . . . 34 CYS CA . 16510 1 353 . 1 1 34 34 CYS CB C 13 30.803 0.071 . 1 . . . . 34 CYS CB . 16510 1 354 . 1 1 34 34 CYS N N 15 115.498 0.050 . 1 . . . . 34 CYS N . 16510 1 355 . 1 1 35 35 LEU H H 1 6.725 0.029 . 1 . . . . 35 LEU H . 16510 1 356 . 1 1 35 35 LEU HA H 1 4.068 0.016 . 1 . . . . 35 LEU HA . 16510 1 357 . 1 1 35 35 LEU HB2 H 1 1.825 0.024 . 2 . . . . 35 LEU HB2 . 16510 1 358 . 1 1 35 35 LEU HB3 H 1 1.369 0.017 . 2 . . . . 35 LEU HB3 . 16510 1 359 . 1 1 35 35 LEU HD11 H 1 0.744 0.013 . 2 . . . . 35 LEU HD11 . 16510 1 360 . 1 1 35 35 LEU HD12 H 1 0.744 0.013 . 2 . . . . 35 LEU HD12 . 16510 1 361 . 1 1 35 35 LEU HD13 H 1 0.744 0.013 . 2 . . . . 35 LEU HD13 . 16510 1 362 . 1 1 35 35 LEU HD21 H 1 0.438 0.016 . 2 . . . . 35 LEU HD21 . 16510 1 363 . 1 1 35 35 LEU HD22 H 1 0.438 0.016 . 2 . . . . 35 LEU HD22 . 16510 1 364 . 1 1 35 35 LEU HD23 H 1 0.438 0.016 . 2 . . . . 35 LEU HD23 . 16510 1 365 . 1 1 35 35 LEU HG H 1 1.803 0.022 . 1 . . . . 35 LEU HG . 16510 1 366 . 1 1 35 35 LEU C C 13 175.050 0.000 . 1 . . . . 35 LEU C . 16510 1 367 . 1 1 35 35 LEU CA C 13 55.168 0.096 . 1 . . . . 35 LEU CA . 16510 1 368 . 1 1 35 35 LEU CB C 13 43.927 0.091 . 1 . . . . 35 LEU CB . 16510 1 369 . 1 1 35 35 LEU CD1 C 13 26.751 0.092 . 2 . . . . 35 LEU CD1 . 16510 1 370 . 1 1 35 35 LEU CD2 C 13 23.550 0.095 . 2 . . . . 35 LEU CD2 . 16510 1 371 . 1 1 35 35 LEU CG C 13 27.006 0.085 . 1 . . . . 35 LEU CG . 16510 1 372 . 1 1 35 35 LEU N N 15 120.664 0.065 . 1 . . . . 35 LEU N . 16510 1 373 . 1 1 36 36 SER H H 1 7.941 0.004 . 1 . . . . 36 SER H . 16510 1 374 . 1 1 36 36 SER HA H 1 4.737 0.007 . 1 . . . . 36 SER HA . 16510 1 375 . 1 1 36 36 SER HB2 H 1 3.737 0.009 . 2 . . . . 36 SER HB2 . 16510 1 376 . 1 1 36 36 SER HB3 H 1 3.609 0.005 . 2 . . . . 36 SER HB3 . 16510 1 377 . 1 1 36 36 SER CA C 13 54.265 0.053 . 1 . . . . 36 SER CA . 16510 1 378 . 1 1 36 36 SER CB C 13 64.620 0.070 . 1 . . . . 36 SER CB . 16510 1 379 . 1 1 36 36 SER N N 15 113.346 0.083 . 1 . . . . 36 SER N . 16510 1 380 . 1 1 37 37 PRO HA H 1 5.056 0.020 . 1 . . . . 37 PRO HA . 16510 1 381 . 1 1 37 37 PRO HB2 H 1 2.387 0.013 . 2 . . . . 37 PRO HB2 . 16510 1 382 . 1 1 37 37 PRO HB3 H 1 2.026 0.014 . 2 . . . . 37 PRO HB3 . 16510 1 383 . 1 1 37 37 PRO HD2 H 1 3.613 0.013 . 2 . . . . 37 PRO HD2 . 16510 1 384 . 1 1 37 37 PRO HD3 H 1 3.446 0.008 . 2 . . . . 37 PRO HD3 . 16510 1 385 . 1 1 37 37 PRO HG2 H 1 1.907 0.007 . 2 . . . . 37 PRO HG2 . 16510 1 386 . 1 1 37 37 PRO HG3 H 1 1.812 0.002 . 2 . . . . 37 PRO HG3 . 16510 1 387 . 1 1 37 37 PRO CA C 13 62.479 0.106 . 1 . . . . 37 PRO CA . 16510 1 388 . 1 1 37 37 PRO CB C 13 33.122 0.088 . 1 . . . . 37 PRO CB . 16510 1 389 . 1 1 37 37 PRO CD C 13 50.125 0.194 . 1 . . . . 37 PRO CD . 16510 1 390 . 1 1 37 37 PRO CG C 13 24.785 0.118 . 1 . . . . 37 PRO CG . 16510 1 391 . 1 1 38 38 PRO HA H 1 4.283 0.020 . 1 . . . . 38 PRO HA . 16510 1 392 . 1 1 38 38 PRO HB2 H 1 2.238 0.012 . 2 . . . . 38 PRO HB2 . 16510 1 393 . 1 1 38 38 PRO HB3 H 1 1.733 0.039 . 2 . . . . 38 PRO HB3 . 16510 1 394 . 1 1 38 38 PRO HD2 H 1 3.746 0.023 . 2 . . . . 38 PRO HD2 . 16510 1 395 . 1 1 38 38 PRO HD3 H 1 3.646 0.054 . 2 . . . . 38 PRO HD3 . 16510 1 396 . 1 1 38 38 PRO HG2 H 1 2.069 0.019 . 1 . . . . 38 PRO HG2 . 16510 1 397 . 1 1 38 38 PRO HG3 H 1 2.069 0.019 . 1 . . . . 38 PRO HG3 . 16510 1 398 . 1 1 38 38 PRO C C 13 177.339 0.000 . 1 . . . . 38 PRO C . 16510 1 399 . 1 1 38 38 PRO CA C 13 63.072 0.147 . 1 . . . . 38 PRO CA . 16510 1 400 . 1 1 38 38 PRO CB C 13 32.388 0.063 . 1 . . . . 38 PRO CB . 16510 1 401 . 1 1 38 38 PRO CD C 13 50.099 0.127 . 1 . . . . 38 PRO CD . 16510 1 402 . 1 1 38 38 PRO CG C 13 27.699 0.074 . 1 . . . . 38 PRO CG . 16510 1 403 . 1 1 39 39 LEU H H 1 7.307 0.010 . 1 . . . . 39 LEU H . 16510 1 404 . 1 1 39 39 LEU HA H 1 4.543 0.007 . 1 . . . . 39 LEU HA . 16510 1 405 . 1 1 39 39 LEU HB2 H 1 1.457 0.016 . 2 . . . . 39 LEU HB2 . 16510 1 406 . 1 1 39 39 LEU HB3 H 1 1.456 0.015 . 2 . . . . 39 LEU HB3 . 16510 1 407 . 1 1 39 39 LEU HD11 H 1 0.801 0.013 . 2 . . . . 39 LEU HD11 . 16510 1 408 . 1 1 39 39 LEU HD12 H 1 0.801 0.013 . 2 . . . . 39 LEU HD12 . 16510 1 409 . 1 1 39 39 LEU HD13 H 1 0.801 0.013 . 2 . . . . 39 LEU HD13 . 16510 1 410 . 1 1 39 39 LEU HD21 H 1 0.644 0.005 . 2 . . . . 39 LEU HD21 . 16510 1 411 . 1 1 39 39 LEU HD22 H 1 0.644 0.005 . 2 . . . . 39 LEU HD22 . 16510 1 412 . 1 1 39 39 LEU HD23 H 1 0.644 0.005 . 2 . . . . 39 LEU HD23 . 16510 1 413 . 1 1 39 39 LEU HG H 1 1.684 0.016 . 1 . . . . 39 LEU HG . 16510 1 414 . 1 1 39 39 LEU C C 13 176.608 0.000 . 1 . . . . 39 LEU C . 16510 1 415 . 1 1 39 39 LEU CA C 13 53.624 0.091 . 1 . . . . 39 LEU CA . 16510 1 416 . 1 1 39 39 LEU CB C 13 44.574 0.074 . 1 . . . . 39 LEU CB . 16510 1 417 . 1 1 39 39 LEU CD1 C 13 25.074 0.000 . 2 . . . . 39 LEU CD1 . 16510 1 418 . 1 1 39 39 LEU CD2 C 13 22.764 0.142 . 2 . . . . 39 LEU CD2 . 16510 1 419 . 1 1 39 39 LEU CG C 13 27.010 0.115 . 1 . . . . 39 LEU CG . 16510 1 420 . 1 1 39 39 LEU N N 15 120.923 0.079 . 1 . . . . 39 LEU N . 16510 1 421 . 1 1 40 40 ARG H H 1 8.667 0.006 . 1 . . . . 40 ARG H . 16510 1 422 . 1 1 40 40 ARG HA H 1 4.246 0.013 . 1 . . . . 40 ARG HA . 16510 1 423 . 1 1 40 40 ARG HB2 H 1 1.872 0.012 . 1 . . . . 40 ARG HB2 . 16510 1 424 . 1 1 40 40 ARG HB3 H 1 1.872 0.012 . 1 . . . . 40 ARG HB3 . 16510 1 425 . 1 1 40 40 ARG HD2 H 1 3.149 0.011 . 1 . . . . 40 ARG HD2 . 16510 1 426 . 1 1 40 40 ARG HD3 H 1 3.149 0.011 . 1 . . . . 40 ARG HD3 . 16510 1 427 . 1 1 40 40 ARG HG2 H 1 1.654 0.029 . 1 . . . . 40 ARG HG2 . 16510 1 428 . 1 1 40 40 ARG HG3 H 1 1.654 0.029 . 1 . . . . 40 ARG HG3 . 16510 1 429 . 1 1 40 40 ARG C C 13 175.562 0.000 . 1 . . . . 40 ARG C . 16510 1 430 . 1 1 40 40 ARG CA C 13 56.218 0.004 . 1 . . . . 40 ARG CA . 16510 1 431 . 1 1 40 40 ARG CD C 13 42.920 0.000 . 1 . . . . 40 ARG CD . 16510 1 432 . 1 1 40 40 ARG N N 15 118.984 0.096 . 1 . . . . 40 ARG N . 16510 1 433 . 1 1 41 41 GLU H H 1 7.333 0.008 . 1 . . . . 41 GLU H . 16510 1 434 . 1 1 41 41 GLU HA H 1 4.434 0.021 . 1 . . . . 41 GLU HA . 16510 1 435 . 1 1 41 41 GLU HB2 H 1 1.917 0.017 . 2 . . . . 41 GLU HB2 . 16510 1 436 . 1 1 41 41 GLU HB3 H 1 1.734 0.010 . 2 . . . . 41 GLU HB3 . 16510 1 437 . 1 1 41 41 GLU HG2 H 1 1.999 0.000 . 1 . . . . 41 GLU HG2 . 16510 1 438 . 1 1 41 41 GLU HG3 H 1 1.999 0.000 . 1 . . . . 41 GLU HG3 . 16510 1 439 . 1 1 41 41 GLU C C 13 174.600 0.000 . 1 . . . . 41 GLU C . 16510 1 440 . 1 1 41 41 GLU CA C 13 53.653 0.075 . 1 . . . . 41 GLU CA . 16510 1 441 . 1 1 41 41 GLU CB C 13 32.755 0.024 . 1 . . . . 41 GLU CB . 16510 1 442 . 1 1 41 41 GLU N N 15 115.519 0.081 . 1 . . . . 41 GLU N . 16510 1 443 . 1 1 42 42 ILE H H 1 8.676 0.009 . 1 . . . . 42 ILE H . 16510 1 444 . 1 1 42 42 ILE HA H 1 3.795 0.011 . 1 . . . . 42 ILE HA . 16510 1 445 . 1 1 42 42 ILE HB H 1 1.692 0.020 . 1 . . . . 42 ILE HB . 16510 1 446 . 1 1 42 42 ILE HD11 H 1 0.737 0.010 . 1 . . . . 42 ILE HD11 . 16510 1 447 . 1 1 42 42 ILE HD12 H 1 0.737 0.010 . 1 . . . . 42 ILE HD12 . 16510 1 448 . 1 1 42 42 ILE HD13 H 1 0.737 0.010 . 1 . . . . 42 ILE HD13 . 16510 1 449 . 1 1 42 42 ILE HG12 H 1 1.526 0.016 . 2 . . . . 42 ILE HG12 . 16510 1 450 . 1 1 42 42 ILE HG13 H 1 0.870 0.014 . 2 . . . . 42 ILE HG13 . 16510 1 451 . 1 1 42 42 ILE HG21 H 1 0.745 0.008 . 1 . . . . 42 ILE HG21 . 16510 1 452 . 1 1 42 42 ILE HG22 H 1 0.745 0.008 . 1 . . . . 42 ILE HG22 . 16510 1 453 . 1 1 42 42 ILE HG23 H 1 0.745 0.008 . 1 . . . . 42 ILE HG23 . 16510 1 454 . 1 1 42 42 ILE CA C 13 59.297 0.073 . 1 . . . . 42 ILE CA . 16510 1 455 . 1 1 42 42 ILE CB C 13 38.204 0.240 . 1 . . . . 42 ILE CB . 16510 1 456 . 1 1 42 42 ILE CD1 C 13 13.304 0.066 . 1 . . . . 42 ILE CD1 . 16510 1 457 . 1 1 42 42 ILE CG1 C 13 28.106 0.100 . 1 . . . . 42 ILE CG1 . 16510 1 458 . 1 1 42 42 ILE CG2 C 13 17.653 0.072 . 1 . . . . 42 ILE CG2 . 16510 1 459 . 1 1 42 42 ILE N N 15 124.004 0.093 . 1 . . . . 42 ILE N . 16510 1 460 . 1 1 43 43 PRO HA H 1 4.462 0.021 . 1 . . . . 43 PRO HA . 16510 1 461 . 1 1 43 43 PRO HB2 H 1 2.344 0.010 . 2 . . . . 43 PRO HB2 . 16510 1 462 . 1 1 43 43 PRO HB3 H 1 1.917 0.015 . 2 . . . . 43 PRO HB3 . 16510 1 463 . 1 1 43 43 PRO HD2 H 1 3.068 0.011 . 2 . . . . 43 PRO HD2 . 16510 1 464 . 1 1 43 43 PRO HD3 H 1 3.797 0.017 . 2 . . . . 43 PRO HD3 . 16510 1 465 . 1 1 43 43 PRO HG2 H 1 1.820 0.028 . 2 . . . . 43 PRO HG2 . 16510 1 466 . 1 1 43 43 PRO HG3 H 1 1.748 0.017 . 2 . . . . 43 PRO HG3 . 16510 1 467 . 1 1 43 43 PRO C C 13 176.040 0.000 . 1 . . . . 43 PRO C . 16510 1 468 . 1 1 43 43 PRO CA C 13 62.781 0.091 . 1 . . . . 43 PRO CA . 16510 1 469 . 1 1 43 43 PRO CB C 13 32.522 0.155 . 1 . . . . 43 PRO CB . 16510 1 470 . 1 1 43 43 PRO CD C 13 50.844 0.088 . 1 . . . . 43 PRO CD . 16510 1 471 . 1 1 43 43 PRO CG C 13 27.333 0.134 . 1 . . . . 43 PRO CG . 16510 1 472 . 1 1 44 44 SER H H 1 8.565 0.014 . 1 . . . . 44 SER H . 16510 1 473 . 1 1 44 44 SER HA H 1 4.321 0.007 . 1 . . . . 44 SER HA . 16510 1 474 . 1 1 44 44 SER HB2 H 1 3.854 0.002 . 1 . . . . 44 SER HB2 . 16510 1 475 . 1 1 44 44 SER HB3 H 1 3.854 0.002 . 1 . . . . 44 SER HB3 . 16510 1 476 . 1 1 44 44 SER C C 13 175.904 0.000 . 1 . . . . 44 SER C . 16510 1 477 . 1 1 44 44 SER CA C 13 58.677 0.071 . 1 . . . . 44 SER CA . 16510 1 478 . 1 1 44 44 SER CB C 13 63.973 0.083 . 1 . . . . 44 SER CB . 16510 1 479 . 1 1 44 44 SER N N 15 116.694 0.130 . 1 . . . . 44 SER N . 16510 1 480 . 1 1 45 45 GLY H H 1 8.522 0.007 . 1 . . . . 45 GLY H . 16510 1 481 . 1 1 45 45 GLY HA2 H 1 4.066 0.012 . 2 . . . . 45 GLY HA2 . 16510 1 482 . 1 1 45 45 GLY HA3 H 1 4.060 0.013 . 2 . . . . 45 GLY HA3 . 16510 1 483 . 1 1 45 45 GLY C C 13 173.825 0.000 . 1 . . . . 45 GLY C . 16510 1 484 . 1 1 45 45 GLY CA C 13 44.637 0.000 . 1 . . . . 45 GLY CA . 16510 1 485 . 1 1 45 45 GLY N N 15 110.742 0.023 . 1 . . . . 45 GLY N . 16510 1 486 . 1 1 46 46 THR H H 1 8.093 0.012 . 1 . . . . 46 THR H . 16510 1 487 . 1 1 46 46 THR HA H 1 4.342 0.011 . 1 . . . . 46 THR HA . 16510 1 488 . 1 1 46 46 THR HB H 1 4.109 0.016 . 1 . . . . 46 THR HB . 16510 1 489 . 1 1 46 46 THR HG21 H 1 1.197 0.010 . 1 . . . . 46 THR HG21 . 16510 1 490 . 1 1 46 46 THR HG22 H 1 1.197 0.010 . 1 . . . . 46 THR HG22 . 16510 1 491 . 1 1 46 46 THR HG23 H 1 1.197 0.010 . 1 . . . . 46 THR HG23 . 16510 1 492 . 1 1 46 46 THR C C 13 173.821 0.000 . 1 . . . . 46 THR C . 16510 1 493 . 1 1 46 46 THR CA C 13 62.624 0.198 . 1 . . . . 46 THR CA . 16510 1 494 . 1 1 46 46 THR CB C 13 69.625 0.077 . 1 . . . . 46 THR CB . 16510 1 495 . 1 1 46 46 THR CG2 C 13 20.821 0.096 . 1 . . . . 46 THR CG2 . 16510 1 496 . 1 1 46 46 THR N N 15 114.167 0.113 . 1 . . . . 46 THR N . 16510 1 497 . 1 1 47 47 TRP H H 1 8.940 0.006 . 1 . . . . 47 TRP H . 16510 1 498 . 1 1 47 47 TRP HA H 1 4.567 0.010 . 1 . . . . 47 TRP HA . 16510 1 499 . 1 1 47 47 TRP HB2 H 1 3.324 0.020 . 2 . . . . 47 TRP HB2 . 16510 1 500 . 1 1 47 47 TRP HB3 H 1 2.871 0.012 . 2 . . . . 47 TRP HB3 . 16510 1 501 . 1 1 47 47 TRP HD1 H 1 7.222 0.016 . 1 . . . . 47 TRP HD1 . 16510 1 502 . 1 1 47 47 TRP HE1 H 1 9.785 0.013 . 1 . . . . 47 TRP HE1 . 16510 1 503 . 1 1 47 47 TRP HE3 H 1 7.491 0.019 . 1 . . . . 47 TRP HE3 . 16510 1 504 . 1 1 47 47 TRP HH2 H 1 6.314 0.018 . 1 . . . . 47 TRP HH2 . 16510 1 505 . 1 1 47 47 TRP HZ2 H 1 7.096 0.010 . 1 . . . . 47 TRP HZ2 . 16510 1 506 . 1 1 47 47 TRP HZ3 H 1 6.674 0.027 . 1 . . . . 47 TRP HZ3 . 16510 1 507 . 1 1 47 47 TRP C C 13 172.739 0.000 . 1 . . . . 47 TRP C . 16510 1 508 . 1 1 47 47 TRP CA C 13 59.611 0.073 . 1 . . . . 47 TRP CA . 16510 1 509 . 1 1 47 47 TRP CB C 13 32.056 0.144 . 1 . . . . 47 TRP CB . 16510 1 510 . 1 1 47 47 TRP CD1 C 13 126.159 0.136 . 1 . . . . 47 TRP CD1 . 16510 1 511 . 1 1 47 47 TRP CE3 C 13 121.395 0.120 . 1 . . . . 47 TRP CE3 . 16510 1 512 . 1 1 47 47 TRP CH2 C 13 123.560 0.173 . 1 . . . . 47 TRP CH2 . 16510 1 513 . 1 1 47 47 TRP CZ2 C 13 114.387 0.070 . 1 . . . . 47 TRP CZ2 . 16510 1 514 . 1 1 47 47 TRP CZ3 C 13 119.482 0.146 . 1 . . . . 47 TRP CZ3 . 16510 1 515 . 1 1 47 47 TRP N N 15 128.718 0.111 . 1 . . . . 47 TRP N . 16510 1 516 . 1 1 47 47 TRP NE1 N 15 128.240 0.023 . 1 . . . . 47 TRP NE1 . 16510 1 517 . 1 1 48 48 ARG H H 1 6.830 0.021 . 1 . . . . 48 ARG H . 16510 1 518 . 1 1 48 48 ARG HA H 1 5.174 0.024 . 1 . . . . 48 ARG HA . 16510 1 519 . 1 1 48 48 ARG HB2 H 1 1.261 0.020 . 2 . . . . 48 ARG HB2 . 16510 1 520 . 1 1 48 48 ARG HB3 H 1 1.096 0.009 . 2 . . . . 48 ARG HB3 . 16510 1 521 . 1 1 48 48 ARG HD2 H 1 2.888 0.019 . 2 . . . . 48 ARG HD2 . 16510 1 522 . 1 1 48 48 ARG HD3 H 1 2.852 0.018 . 2 . . . . 48 ARG HD3 . 16510 1 523 . 1 1 48 48 ARG HG2 H 1 1.449 0.015 . 2 . . . . 48 ARG HG2 . 16510 1 524 . 1 1 48 48 ARG HG3 H 1 1.242 0.023 . 2 . . . . 48 ARG HG3 . 16510 1 525 . 1 1 48 48 ARG C C 13 173.514 0.000 . 1 . . . . 48 ARG C . 16510 1 526 . 1 1 48 48 ARG CA C 13 52.719 0.059 . 1 . . . . 48 ARG CA . 16510 1 527 . 1 1 48 48 ARG CB C 13 34.814 0.096 . 1 . . . . 48 ARG CB . 16510 1 528 . 1 1 48 48 ARG CD C 13 43.612 0.073 . 1 . . . . 48 ARG CD . 16510 1 529 . 1 1 48 48 ARG CG C 13 28.297 0.076 . 1 . . . . 48 ARG CG . 16510 1 530 . 1 1 48 48 ARG N N 15 124.292 0.079 . 1 . . . . 48 ARG N . 16510 1 531 . 1 1 49 49 CYS H H 1 9.123 0.013 . 1 . . . . 49 CYS H . 16510 1 532 . 1 1 49 49 CYS HA H 1 3.652 0.014 . 1 . . . . 49 CYS HA . 16510 1 533 . 1 1 49 49 CYS HB2 H 1 3.178 0.017 . 2 . . . . 49 CYS HB2 . 16510 1 534 . 1 1 49 49 CYS HB3 H 1 2.665 0.013 . 2 . . . . 49 CYS HB3 . 16510 1 535 . 1 1 49 49 CYS C C 13 174.624 0.000 . 1 . . . . 49 CYS C . 16510 1 536 . 1 1 49 49 CYS CA C 13 57.420 0.073 . 1 . . . . 49 CYS CA . 16510 1 537 . 1 1 49 49 CYS CB C 13 33.275 0.129 . 1 . . . . 49 CYS CB . 16510 1 538 . 1 1 49 49 CYS N N 15 124.327 0.052 . 1 . . . . 49 CYS N . 16510 1 539 . 1 1 50 50 SER H H 1 8.187 0.012 . 1 . . . . 50 SER H . 16510 1 540 . 1 1 50 50 SER HA H 1 3.905 0.018 . 1 . . . . 50 SER HA . 16510 1 541 . 1 1 50 50 SER HB2 H 1 3.878 0.000 . 1 . . . . 50 SER HB2 . 16510 1 542 . 1 1 50 50 SER HB3 H 1 3.878 0.000 . 1 . . . . 50 SER HB3 . 16510 1 543 . 1 1 50 50 SER C C 13 176.922 0.000 . 1 . . . . 50 SER C . 16510 1 544 . 1 1 50 50 SER CA C 13 61.757 0.087 . 1 . . . . 50 SER CA . 16510 1 545 . 1 1 50 50 SER N N 15 111.845 0.100 . 1 . . . . 50 SER N . 16510 1 546 . 1 1 51 51 SER H H 1 8.208 0.011 . 1 . . . . 51 SER H . 16510 1 547 . 1 1 51 51 SER HA H 1 4.288 0.014 . 1 . . . . 51 SER HA . 16510 1 548 . 1 1 51 51 SER HB2 H 1 3.938 0.026 . 2 . . . . 51 SER HB2 . 16510 1 549 . 1 1 51 51 SER HB3 H 1 3.920 0.020 . 2 . . . . 51 SER HB3 . 16510 1 550 . 1 1 51 51 SER C C 13 177.027 0.000 . 1 . . . . 51 SER C . 16510 1 551 . 1 1 51 51 SER CA C 13 62.122 0.071 . 1 . . . . 51 SER CA . 16510 1 552 . 1 1 51 51 SER CB C 13 63.112 0.000 . 1 . . . . 51 SER CB . 16510 1 553 . 1 1 51 51 SER N N 15 119.087 0.107 . 1 . . . . 51 SER N . 16510 1 554 . 1 1 52 52 CYS H H 1 8.335 0.008 . 1 . . . . 52 CYS H . 16510 1 555 . 1 1 52 52 CYS HA H 1 3.869 0.014 . 1 . . . . 52 CYS HA . 16510 1 556 . 1 1 52 52 CYS HB2 H 1 2.817 0.011 . 2 . . . . 52 CYS HB2 . 16510 1 557 . 1 1 52 52 CYS HB3 H 1 2.648 0.018 . 2 . . . . 52 CYS HB3 . 16510 1 558 . 1 1 52 52 CYS C C 13 178.037 0.000 . 1 . . . . 52 CYS C . 16510 1 559 . 1 1 52 52 CYS CA C 13 65.241 0.064 . 1 . . . . 52 CYS CA . 16510 1 560 . 1 1 52 52 CYS CB C 13 28.614 0.091 . 1 . . . . 52 CYS CB . 16510 1 561 . 1 1 52 52 CYS N N 15 125.985 0.122 . 1 . . . . 52 CYS N . 16510 1 562 . 1 1 53 53 LEU H H 1 8.065 0.011 . 1 . . . . 53 LEU H . 16510 1 563 . 1 1 53 53 LEU HA H 1 3.948 0.019 . 1 . . . . 53 LEU HA . 16510 1 564 . 1 1 53 53 LEU HB2 H 1 1.500 0.014 . 2 . . . . 53 LEU HB2 . 16510 1 565 . 1 1 53 53 LEU HB3 H 1 1.429 0.057 . 2 . . . . 53 LEU HB3 . 16510 1 566 . 1 1 53 53 LEU HD11 H 1 0.633 0.012 . 2 . . . . 53 LEU HD11 . 16510 1 567 . 1 1 53 53 LEU HD12 H 1 0.633 0.012 . 2 . . . . 53 LEU HD12 . 16510 1 568 . 1 1 53 53 LEU HD13 H 1 0.633 0.012 . 2 . . . . 53 LEU HD13 . 16510 1 569 . 1 1 53 53 LEU HD21 H 1 0.633 0.011 . 2 . . . . 53 LEU HD21 . 16510 1 570 . 1 1 53 53 LEU HD22 H 1 0.633 0.011 . 2 . . . . 53 LEU HD22 . 16510 1 571 . 1 1 53 53 LEU HD23 H 1 0.633 0.011 . 2 . . . . 53 LEU HD23 . 16510 1 572 . 1 1 53 53 LEU HG H 1 1.386 0.012 . 1 . . . . 53 LEU HG . 16510 1 573 . 1 1 53 53 LEU C C 13 178.450 0.000 . 1 . . . . 53 LEU C . 16510 1 574 . 1 1 53 53 LEU CA C 13 56.766 0.107 . 1 . . . . 53 LEU CA . 16510 1 575 . 1 1 53 53 LEU CB C 13 42.085 0.070 . 1 . . . . 53 LEU CB . 16510 1 576 . 1 1 53 53 LEU CD1 C 13 25.074 0.000 . 2 . . . . 53 LEU CD1 . 16510 1 577 . 1 1 53 53 LEU CD2 C 13 23.113 0.079 . 2 . . . . 53 LEU CD2 . 16510 1 578 . 1 1 53 53 LEU CG C 13 26.414 0.074 . 1 . . . . 53 LEU CG . 16510 1 579 . 1 1 53 53 LEU N N 15 119.565 0.084 . 1 . . . . 53 LEU N . 16510 1 580 . 1 1 54 54 GLN H H 1 7.637 0.006 . 1 . . . . 54 GLN H . 16510 1 581 . 1 1 54 54 GLN HA H 1 4.123 0.014 . 1 . . . . 54 GLN HA . 16510 1 582 . 1 1 54 54 GLN HB2 H 1 2.085 0.014 . 2 . . . . 54 GLN HB2 . 16510 1 583 . 1 1 54 54 GLN HB3 H 1 2.077 0.020 . 2 . . . . 54 GLN HB3 . 16510 1 584 . 1 1 54 54 GLN HE21 H 1 7.418 0.002 . 1 . . . . 54 GLN HE21 . 16510 1 585 . 1 1 54 54 GLN HE22 H 1 6.801 0.000 . 1 . . . . 54 GLN HE22 . 16510 1 586 . 1 1 54 54 GLN HG2 H 1 2.410 0.020 . 2 . . . . 54 GLN HG2 . 16510 1 587 . 1 1 54 54 GLN HG3 H 1 2.386 0.020 . 2 . . . . 54 GLN HG3 . 16510 1 588 . 1 1 54 54 GLN C C 13 176.202 0.000 . 1 . . . . 54 GLN C . 16510 1 589 . 1 1 54 54 GLN CA C 13 56.789 0.074 . 1 . . . . 54 GLN CA . 16510 1 590 . 1 1 54 54 GLN CB C 13 28.636 0.060 . 1 . . . . 54 GLN CB . 16510 1 591 . 1 1 54 54 GLN CG C 13 34.139 0.140 . 1 . . . . 54 GLN CG . 16510 1 592 . 1 1 54 54 GLN N N 15 118.355 0.089 . 1 . . . . 54 GLN N . 16510 1 593 . 1 1 54 54 GLN NE2 N 15 112.088 0.020 . 1 . . . . 54 GLN NE2 . 16510 1 594 . 1 1 55 55 ALA H H 1 7.674 0.021 . 1 . . . . 55 ALA H . 16510 1 595 . 1 1 55 55 ALA HA H 1 4.264 0.006 . 1 . . . . 55 ALA HA . 16510 1 596 . 1 1 55 55 ALA HB1 H 1 1.383 0.009 . 1 . . . . 55 ALA HB1 . 16510 1 597 . 1 1 55 55 ALA HB2 H 1 1.383 0.009 . 1 . . . . 55 ALA HB2 . 16510 1 598 . 1 1 55 55 ALA HB3 H 1 1.383 0.009 . 1 . . . . 55 ALA HB3 . 16510 1 599 . 1 1 55 55 ALA C C 13 177.986 0.000 . 1 . . . . 55 ALA C . 16510 1 600 . 1 1 55 55 ALA CB C 13 19.197 0.075 . 1 . . . . 55 ALA CB . 16510 1 601 . 1 1 55 55 ALA N N 15 122.512 0.050 . 1 . . . . 55 ALA N . 16510 1 602 . 1 1 56 56 THR H H 1 7.873 0.011 . 1 . . . . 56 THR H . 16510 1 603 . 1 1 56 56 THR HA H 1 4.240 0.028 . 1 . . . . 56 THR HA . 16510 1 604 . 1 1 56 56 THR HB H 1 4.159 0.015 . 1 . . . . 56 THR HB . 16510 1 605 . 1 1 56 56 THR HG21 H 1 1.153 0.011 . 1 . . . . 56 THR HG21 . 16510 1 606 . 1 1 56 56 THR HG22 H 1 1.153 0.011 . 1 . . . . 56 THR HG22 . 16510 1 607 . 1 1 56 56 THR HG23 H 1 1.153 0.011 . 1 . . . . 56 THR HG23 . 16510 1 608 . 1 1 56 56 THR C C 13 174.624 0.000 . 1 . . . . 56 THR C . 16510 1 609 . 1 1 56 56 THR CA C 13 62.472 0.062 . 1 . . . . 56 THR CA . 16510 1 610 . 1 1 56 56 THR CB C 13 70.018 0.018 . 1 . . . . 56 THR CB . 16510 1 611 . 1 1 56 56 THR CG2 C 13 21.367 0.053 . 1 . . . . 56 THR CG2 . 16510 1 612 . 1 1 56 56 THR N N 15 112.775 0.038 . 1 . . . . 56 THR N . 16510 1 613 . 1 1 57 57 VAL H H 1 7.997 0.007 . 1 . . . . 57 VAL H . 16510 1 614 . 1 1 57 57 VAL HA H 1 4.042 0.010 . 1 . . . . 57 VAL HA . 16510 1 615 . 1 1 57 57 VAL HB H 1 2.030 0.011 . 1 . . . . 57 VAL HB . 16510 1 616 . 1 1 57 57 VAL HG11 H 1 0.880 0.010 . 1 . . . . 57 VAL HG11 . 16510 1 617 . 1 1 57 57 VAL HG12 H 1 0.880 0.010 . 1 . . . . 57 VAL HG12 . 16510 1 618 . 1 1 57 57 VAL HG13 H 1 0.880 0.010 . 1 . . . . 57 VAL HG13 . 16510 1 619 . 1 1 57 57 VAL HG21 H 1 0.880 0.010 . 1 . . . . 57 VAL HG21 . 16510 1 620 . 1 1 57 57 VAL HG22 H 1 0.880 0.010 . 1 . . . . 57 VAL HG22 . 16510 1 621 . 1 1 57 57 VAL HG23 H 1 0.880 0.010 . 1 . . . . 57 VAL HG23 . 16510 1 622 . 1 1 57 57 VAL C C 13 175.968 0.000 . 1 . . . . 57 VAL C . 16510 1 623 . 1 1 57 57 VAL CA C 13 62.410 0.075 . 1 . . . . 57 VAL CA . 16510 1 624 . 1 1 57 57 VAL CB C 13 32.704 0.086 . 1 . . . . 57 VAL CB . 16510 1 625 . 1 1 57 57 VAL CG1 C 13 21.077 0.000 . 2 . . . . 57 VAL CG1 . 16510 1 626 . 1 1 57 57 VAL CG2 C 13 21.102 0.035 . 2 . . . . 57 VAL CG2 . 16510 1 627 . 1 1 57 57 VAL N N 15 122.723 0.103 . 1 . . . . 57 VAL N . 16510 1 628 . 1 1 58 58 GLN H H 1 8.355 0.002 . 1 . . . . 58 GLN H . 16510 1 629 . 1 1 58 58 GLN HA H 1 4.275 0.011 . 1 . . . . 58 GLN HA . 16510 1 630 . 1 1 58 58 GLN HB2 H 1 1.909 0.000 . 1 . . . . 58 GLN HB2 . 16510 1 631 . 1 1 58 58 GLN HB3 H 1 1.909 0.000 . 1 . . . . 58 GLN HB3 . 16510 1 632 . 1 1 58 58 GLN HE21 H 1 7.502 0.003 . 1 . . . . 58 GLN HE21 . 16510 1 633 . 1 1 58 58 GLN HE22 H 1 6.818 0.002 . 1 . . . . 58 GLN HE22 . 16510 1 634 . 1 1 58 58 GLN HG2 H 1 2.303 0.006 . 1 . . . . 58 GLN HG2 . 16510 1 635 . 1 1 58 58 GLN HG3 H 1 2.303 0.006 . 1 . . . . 58 GLN HG3 . 16510 1 636 . 1 1 58 58 GLN C C 13 175.674 0.000 . 1 . . . . 58 GLN C . 16510 1 637 . 1 1 58 58 GLN CB C 13 29.142 0.000 . 1 . . . . 58 GLN CB . 16510 1 638 . 1 1 58 58 GLN CG C 13 33.626 0.071 . 1 . . . . 58 GLN CG . 16510 1 639 . 1 1 58 58 GLN N N 15 123.866 0.089 . 1 . . . . 58 GLN N . 16510 1 640 . 1 1 58 58 GLN NE2 N 15 112.594 0.011 . 1 . . . . 58 GLN NE2 . 16510 1 641 . 1 1 59 59 GLU H H 1 8.396 0.001 . 1 . . . . 59 GLU H . 16510 1 642 . 1 1 59 59 GLU HA H 1 4.247 0.020 . 1 . . . . 59 GLU HA . 16510 1 643 . 1 1 59 59 GLU HB2 H 1 2.191 0.016 . 2 . . . . 59 GLU HB2 . 16510 1 644 . 1 1 59 59 GLU HB3 H 1 1.948 0.009 . 2 . . . . 59 GLU HB3 . 16510 1 645 . 1 1 59 59 GLU HG2 H 1 2.245 0.016 . 2 . . . . 59 GLU HG2 . 16510 1 646 . 1 1 59 59 GLU HG3 H 1 2.186 0.014 . 2 . . . . 59 GLU HG3 . 16510 1 647 . 1 1 59 59 GLU C C 13 176.231 0.000 . 1 . . . . 59 GLU C . 16510 1 648 . 1 1 59 59 GLU CB C 13 29.666 0.000 . 1 . . . . 59 GLU CB . 16510 1 649 . 1 1 59 59 GLU CG C 13 36.077 0.113 . 1 . . . . 59 GLU CG . 16510 1 650 . 1 1 59 59 GLU N N 15 122.926 0.116 . 1 . . . . 59 GLU N . 16510 1 651 . 1 1 60 60 VAL H H 1 8.239 0.006 . 1 . . . . 60 VAL H . 16510 1 652 . 1 1 60 60 VAL HA H 1 4.038 0.007 . 1 . . . . 60 VAL HA . 16510 1 653 . 1 1 60 60 VAL HB H 1 2.004 0.020 . 1 . . . . 60 VAL HB . 16510 1 654 . 1 1 60 60 VAL HG11 H 1 0.873 0.015 . 2 . . . . 60 VAL HG11 . 16510 1 655 . 1 1 60 60 VAL HG12 H 1 0.873 0.015 . 2 . . . . 60 VAL HG12 . 16510 1 656 . 1 1 60 60 VAL HG13 H 1 0.873 0.015 . 2 . . . . 60 VAL HG13 . 16510 1 657 . 1 1 60 60 VAL HG21 H 1 0.878 0.005 . 2 . . . . 60 VAL HG21 . 16510 1 658 . 1 1 60 60 VAL HG22 H 1 0.878 0.005 . 2 . . . . 60 VAL HG22 . 16510 1 659 . 1 1 60 60 VAL HG23 H 1 0.878 0.005 . 2 . . . . 60 VAL HG23 . 16510 1 660 . 1 1 60 60 VAL C C 13 175.873 0.000 . 1 . . . . 60 VAL C . 16510 1 661 . 1 1 60 60 VAL CA C 13 62.410 0.075 . 1 . . . . 60 VAL CA . 16510 1 662 . 1 1 60 60 VAL CB C 13 32.726 0.109 . 1 . . . . 60 VAL CB . 16510 1 663 . 1 1 60 60 VAL CG1 C 13 21.077 0.000 . 1 . . . . 60 VAL CG1 . 16510 1 664 . 1 1 60 60 VAL CG2 C 13 21.077 0.000 . 1 . . . . 60 VAL CG2 . 16510 1 665 . 1 1 60 60 VAL N N 15 122.042 0.100 . 1 . . . . 60 VAL N . 16510 1 666 . 1 1 61 61 GLN H H 1 8.454 0.006 . 1 . . . . 61 GLN H . 16510 1 667 . 1 1 61 61 GLN HA H 1 4.579 0.018 . 1 . . . . 61 GLN HA . 16510 1 668 . 1 1 61 61 GLN HB2 H 1 2.020 0.029 . 2 . . . . 61 GLN HB2 . 16510 1 669 . 1 1 61 61 GLN HB3 H 1 1.881 0.005 . 2 . . . . 61 GLN HB3 . 16510 1 670 . 1 1 61 61 GLN HG2 H 1 2.351 0.007 . 2 . . . . 61 GLN HG2 . 16510 1 671 . 1 1 61 61 GLN HG3 H 1 2.308 0.006 . 2 . . . . 61 GLN HG3 . 16510 1 672 . 1 1 61 61 GLN CA C 13 53.272 0.130 . 1 . . . . 61 GLN CA . 16510 1 673 . 1 1 61 61 GLN CB C 13 28.885 0.000 . 1 . . . . 61 GLN CB . 16510 1 674 . 1 1 61 61 GLN CG C 13 33.601 0.075 . 1 . . . . 61 GLN CG . 16510 1 675 . 1 1 61 61 GLN N N 15 125.674 0.094 . 1 . . . . 61 GLN N . 16510 1 676 . 1 1 62 62 PRO HA H 1 4.344 0.037 . 1 . . . . 62 PRO HA . 16510 1 677 . 1 1 62 62 PRO HB2 H 1 2.244 0.015 . 2 . . . . 62 PRO HB2 . 16510 1 678 . 1 1 62 62 PRO HB3 H 1 1.835 0.007 . 2 . . . . 62 PRO HB3 . 16510 1 679 . 1 1 62 62 PRO HD2 H 1 3.769 0.035 . 2 . . . . 62 PRO HD2 . 16510 1 680 . 1 1 62 62 PRO HD3 H 1 3.621 0.006 . 2 . . . . 62 PRO HD3 . 16510 1 681 . 1 1 62 62 PRO HG2 H 1 1.989 0.026 . 1 . . . . 62 PRO HG2 . 16510 1 682 . 1 1 62 62 PRO HG3 H 1 1.989 0.026 . 1 . . . . 62 PRO HG3 . 16510 1 683 . 1 1 62 62 PRO C C 13 176.601 0.000 . 1 . . . . 62 PRO C . 16510 1 684 . 1 1 62 62 PRO CA C 13 63.127 0.062 . 1 . . . . 62 PRO CA . 16510 1 685 . 1 1 62 62 PRO CB C 13 32.228 0.168 . 1 . . . . 62 PRO CB . 16510 1 686 . 1 1 62 62 PRO CD C 13 50.122 0.000 . 1 . . . . 62 PRO CD . 16510 1 687 . 1 1 62 62 PRO CG C 13 27.492 0.168 . 1 . . . . 62 PRO CG . 16510 1 688 . 1 1 63 63 ARG H H 1 8.430 0.002 . 1 . . . . 63 ARG H . 16510 1 689 . 1 1 63 63 ARG HA H 1 4.248 0.013 . 1 . . . . 63 ARG HA . 16510 1 690 . 1 1 63 63 ARG HB2 H 1 1.730 0.000 . 1 . . . . 63 ARG HB2 . 16510 1 691 . 1 1 63 63 ARG HB3 H 1 1.730 0.000 . 1 . . . . 63 ARG HB3 . 16510 1 692 . 1 1 63 63 ARG HD2 H 1 3.149 0.011 . 1 . . . . 63 ARG HD2 . 16510 1 693 . 1 1 63 63 ARG HD3 H 1 3.149 0.011 . 1 . . . . 63 ARG HD3 . 16510 1 694 . 1 1 63 63 ARG HG2 H 1 1.620 0.000 . 1 . . . . 63 ARG HG2 . 16510 1 695 . 1 1 63 63 ARG HG3 H 1 1.620 0.000 . 1 . . . . 63 ARG HG3 . 16510 1 696 . 1 1 63 63 ARG C C 13 175.872 0.000 . 1 . . . . 63 ARG C . 16510 1 697 . 1 1 63 63 ARG CA C 13 56.217 0.004 . 1 . . . . 63 ARG CA . 16510 1 698 . 1 1 63 63 ARG CD C 13 42.920 0.000 . 1 . . . . 63 ARG CD . 16510 1 699 . 1 1 63 63 ARG N N 15 122.042 0.100 . 1 . . . . 63 ARG N . 16510 1 700 . 1 1 64 64 ALA H H 1 8.438 0.003 . 1 . . . . 64 ALA H . 16510 1 701 . 1 1 64 64 ALA HA H 1 4.254 0.003 . 1 . . . . 64 ALA HA . 16510 1 702 . 1 1 64 64 ALA HB1 H 1 1.341 0.006 . 1 . . . . 64 ALA HB1 . 16510 1 703 . 1 1 64 64 ALA HB2 H 1 1.341 0.006 . 1 . . . . 64 ALA HB2 . 16510 1 704 . 1 1 64 64 ALA HB3 H 1 1.341 0.006 . 1 . . . . 64 ALA HB3 . 16510 1 705 . 1 1 64 64 ALA C C 13 177.444 0.000 . 1 . . . . 64 ALA C . 16510 1 706 . 1 1 64 64 ALA CA C 13 52.378 0.000 . 1 . . . . 64 ALA CA . 16510 1 707 . 1 1 64 64 ALA CB C 13 19.125 0.000 . 1 . . . . 64 ALA CB . 16510 1 708 . 1 1 64 64 ALA N N 15 126.572 0.065 . 1 . . . . 64 ALA N . 16510 1 709 . 1 1 65 65 GLU H H 1 8.399 0.001 . 1 . . . . 65 GLU H . 16510 1 710 . 1 1 65 65 GLU HA H 1 4.246 0.011 . 1 . . . . 65 GLU HA . 16510 1 711 . 1 1 65 65 GLU HB2 H 1 1.885 0.015 . 1 . . . . 65 GLU HB2 . 16510 1 712 . 1 1 65 65 GLU HB3 H 1 1.885 0.015 . 1 . . . . 65 GLU HB3 . 16510 1 713 . 1 1 65 65 GLU HG2 H 1 2.049 0.000 . 1 . . . . 65 GLU HG2 . 16510 1 714 . 1 1 65 65 GLU HG3 H 1 2.049 0.000 . 1 . . . . 65 GLU HG3 . 16510 1 715 . 1 1 65 65 GLU C C 13 175.486 0.000 . 1 . . . . 65 GLU C . 16510 1 716 . 1 1 65 65 GLU CA C 13 56.460 0.075 . 1 . . . . 65 GLU CA . 16510 1 717 . 1 1 65 65 GLU N N 15 120.660 0.116 . 1 . . . . 65 GLU N . 16510 1 718 . 1 1 66 66 GLU H H 1 7.970 0.003 . 1 . . . . 66 GLU H . 16510 1 719 . 1 1 66 66 GLU HA H 1 4.231 0.000 . 1 . . . . 66 GLU HA . 16510 1 720 . 1 1 66 66 GLU N N 15 126.768 0.153 . 1 . . . . 66 GLU N . 16510 1 721 . 2 2 1 1 ALA HA H 1 4.281 0.007 . 1 . . . . 69 ALA HA . 16510 1 722 . 2 2 1 1 ALA HB1 H 1 1.448 0.014 . 1 . . . . 69 ALA HB1 . 16510 1 723 . 2 2 1 1 ALA HB2 H 1 1.448 0.014 . 1 . . . . 69 ALA HB2 . 16510 1 724 . 2 2 1 1 ALA HB3 H 1 1.448 0.014 . 1 . . . . 69 ALA HB3 . 16510 1 725 . 2 2 2 2 ARG H H 1 9.763 0.007 . 1 . . . . 70 ARG H . 16510 1 726 . 2 2 2 2 ARG HA H 1 4.217 0.005 . 1 . . . . 70 ARG HA . 16510 1 727 . 2 2 2 2 ARG HB2 H 1 1.656 0.013 . 2 . . . . 70 ARG HB2 . 16510 1 728 . 2 2 2 2 ARG HB3 H 1 1.763 0.010 . 2 . . . . 70 ARG HB3 . 16510 1 729 . 2 2 2 2 ARG HD2 H 1 2.956 0.008 . 2 . . . . 70 ARG HD2 . 16510 1 730 . 2 2 2 2 ARG HD3 H 1 2.958 0.009 . 2 . . . . 70 ARG HD3 . 16510 1 731 . 2 2 2 2 ARG HE H 1 7.163 0.012 . 1 . . . . 70 ARG HE . 16510 1 732 . 2 2 2 2 ARG HG2 H 1 1.455 0.013 . 2 . . . . 70 ARG HG2 . 16510 1 733 . 2 2 2 2 ARG HG3 H 1 1.660 0.009 . 2 . . . . 70 ARG HG3 . 16510 1 734 . 2 2 3 3 THR H H 1 8.081 0.004 . 1 . . . . 71 THR H . 16510 1 735 . 2 2 3 3 THR HA H 1 5.507 0.016 . 1 . . . . 71 THR HA . 16510 1 736 . 2 2 3 3 THR HB H 1 4.062 0.006 . 1 . . . . 71 THR HB . 16510 1 737 . 2 2 3 3 THR HG1 H 1 4.500 0.006 . 1 . . . . 71 THR HG1 . 16510 1 738 . 2 2 3 3 THR HG21 H 1 0.978 0.013 . 1 . . . . 71 THR HG21 . 16510 1 739 . 2 2 3 3 THR HG22 H 1 0.978 0.013 . 1 . . . . 71 THR HG22 . 16510 1 740 . 2 2 3 3 THR HG23 H 1 0.978 0.013 . 1 . . . . 71 THR HG23 . 16510 1 741 . 2 2 4 4 LYS H H 1 8.860 0.023 . 1 . . . . 72 LYS H . 16510 1 742 . 2 2 4 4 LYS HA H 1 4.622 0.007 . 1 . . . . 72 LYS HA . 16510 1 743 . 2 2 4 4 LYS HB2 H 1 1.620 0.012 . 1 . . . . 72 LYS HB2 . 16510 1 744 . 2 2 4 4 LYS HB3 H 1 1.620 0.012 . 1 . . . . 72 LYS HB3 . 16510 1 745 . 2 2 4 4 LYS HD2 H 1 1.390 0.017 . 1 . . . . 72 LYS HD2 . 16510 1 746 . 2 2 4 4 LYS HD3 H 1 1.390 0.017 . 1 . . . . 72 LYS HD3 . 16510 1 747 . 2 2 4 4 LYS HE2 H 1 2.933 0.015 . 1 . . . . 72 LYS HE2 . 16510 1 748 . 2 2 4 4 LYS HE3 H 1 2.933 0.015 . 1 . . . . 72 LYS HE3 . 16510 1 749 . 2 2 4 4 LYS HG2 H 1 1.499 0.013 . 1 . . . . 72 LYS HG2 . 16510 1 750 . 2 2 4 4 LYS HG3 H 1 1.499 0.013 . 1 . . . . 72 LYS HG3 . 16510 1 751 . 2 2 5 5 GLN H H 1 8.400 0.006 . 1 . . . . 73 GLN H . 16510 1 752 . 2 2 5 5 GLN HA H 1 5.148 0.011 . 1 . . . . 73 GLN HA . 16510 1 753 . 2 2 5 5 GLN HB2 H 1 1.872 0.009 . 1 . . . . 73 GLN HB2 . 16510 1 754 . 2 2 5 5 GLN HB3 H 1 1.872 0.009 . 1 . . . . 73 GLN HB3 . 16510 1 755 . 2 2 5 5 GLN HE21 H 1 6.793 0.005 . 1 . . . . 73 GLN HE21 . 16510 1 756 . 2 2 5 5 GLN HE22 H 1 7.553 0.004 . 1 . . . . 73 GLN HE22 . 16510 1 757 . 2 2 5 5 GLN HG2 H 1 2.177 0.003 . 1 . . . . 73 GLN HG2 . 16510 1 758 . 2 2 5 5 GLN HG3 H 1 2.177 0.003 . 1 . . . . 73 GLN HG3 . 16510 1 759 . 2 2 6 6 THR H H 1 9.201 0.015 . 1 . . . . 74 THR H . 16510 1 760 . 2 2 6 6 THR HA H 1 4.670 0.011 . 1 . . . . 74 THR HA . 16510 1 761 . 2 2 6 6 THR HB H 1 4.503 0.014 . 1 . . . . 74 THR HB . 16510 1 762 . 2 2 6 6 THR HG21 H 1 1.038 0.021 . 1 . . . . 74 THR HG21 . 16510 1 763 . 2 2 6 6 THR HG22 H 1 1.038 0.021 . 1 . . . . 74 THR HG22 . 16510 1 764 . 2 2 6 6 THR HG23 H 1 1.038 0.021 . 1 . . . . 74 THR HG23 . 16510 1 765 . 2 2 7 7 ALA H H 1 8.432 0.005 . 1 . . . . 75 ALA H . 16510 1 766 . 2 2 7 7 ALA HA H 1 4.169 0.004 . 1 . . . . 75 ALA HA . 16510 1 767 . 2 2 7 7 ALA HB1 H 1 1.317 0.004 . 1 . . . . 75 ALA HB1 . 16510 1 768 . 2 2 7 7 ALA HB2 H 1 1.317 0.004 . 1 . . . . 75 ALA HB2 . 16510 1 769 . 2 2 7 7 ALA HB3 H 1 1.317 0.004 . 1 . . . . 75 ALA HB3 . 16510 1 770 . 2 2 8 8 ARG H H 1 8.334 0.019 . 1 . . . . 76 ARG H . 16510 1 771 . 2 2 8 8 ARG HA H 1 4.215 0.020 . 1 . . . . 76 ARG HA . 16510 1 772 . 2 2 8 8 ARG HB2 H 1 1.655 0.013 . 2 . . . . 76 ARG HB2 . 16510 1 773 . 2 2 8 8 ARG HB3 H 1 1.922 0.016 . 2 . . . . 76 ARG HB3 . 16510 1 774 . 2 2 8 8 ARG HD2 H 1 3.124 0.013 . 1 . . . . 76 ARG HD2 . 16510 1 775 . 2 2 8 8 ARG HD3 H 1 3.124 0.013 . 1 . . . . 76 ARG HD3 . 16510 1 776 . 2 2 8 8 ARG HE H 1 7.214 0.006 . 1 . . . . 76 ARG HE . 16510 1 777 . 2 2 8 8 ARG HG2 H 1 1.456 0.011 . 2 . . . . 76 ARG HG2 . 16510 1 778 . 2 2 8 8 ARG HG3 H 1 1.653 0.015 . 2 . . . . 76 ARG HG3 . 16510 1 779 . 2 2 9 9 LYS H H 1 8.242 0.008 . 1 . . . . 77 LYS H . 16510 1 780 . 2 2 9 9 LYS HA H 1 4.087 0.001 . 1 . . . . 77 LYS HA . 16510 1 781 . 2 2 9 9 LYS HB2 H 1 1.570 0.007 . 2 . . . . 77 LYS HB2 . 16510 1 782 . 2 2 9 9 LYS HB3 H 1 1.763 0.005 . 2 . . . . 77 LYS HB3 . 16510 1 783 . 2 2 9 9 LYS HE2 H 1 3.149 0.008 . 1 . . . . 77 LYS HE2 . 16510 1 784 . 2 2 9 9 LYS HE3 H 1 3.149 0.008 . 1 . . . . 77 LYS HE3 . 16510 1 785 . 2 2 9 9 LYS HG2 H 1 1.570 0.007 . 2 . . . . 77 LYS HG2 . 16510 1 786 . 2 2 9 9 LYS HG3 H 1 1.656 0.017 . 2 . . . . 77 LYS HG3 . 16510 1 787 . 2 2 10 10 SER H H 1 8.054 0.004 . 1 . . . . 78 SER H . 16510 1 788 . 2 2 10 10 SER HA H 1 4.216 0.009 . 1 . . . . 78 SER HA . 16510 1 789 . 2 2 10 10 SER HB2 H 1 3.777 0.003 . 1 . . . . 78 SER HB2 . 16510 1 790 . 2 2 10 10 SER HB3 H 1 3.777 0.003 . 1 . . . . 78 SER HB3 . 16510 1 stop_ save_