data_18885 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18885 _Entry.Title ; S. cerevisiae proteasome regulatory particle ATPase Rpt6 C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-07 _Entry.Accession_date 2012-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'S. cerevisiae proteasome regulatory particle ATPase Rpt6 C-terminal domain [318-405] 4-helix and partially unfolded conformations' _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 Aaron Ehlinger . C. . 18885 2 Kylie Walters . J. . 18885 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Minnesota' . 18885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 18885 '15N chemical shifts' 112 18885 '1H chemical shifts' 112 18885 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 . . 2013-05-22 2012-12-07 update BMRB 'update entry citation' 18885 1 . . 2013-02-15 2012-12-07 original author 'original release' 18885 stop_ save_ ############### # Citations # ############### save_Rpt6-C _Citation.Sf_category citations _Citation.Sf_framecode Rpt6-C _Citation.Entry_ID 18885 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23562395 _Citation.Full_citation . _Citation.Title 'Conformational dynamics of the rpt6 ATPase in proteasome assembly and rpn14 binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 5 _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 753 _Citation.Page_last 765 _Citation.Year 2013 _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 Aaron Ehlinger . . . 18885 1 2 Soyeon Park . . . 18885 1 3 Amr Fahmy . . . 18885 1 4 Jeffrey Lary . W. . 18885 1 5 James Cole . L. . 18885 1 6 Daniel Finley . . . 18885 1 7 Kylie Walters . J. . 18885 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Proteasome 18885 1 Rpn14 18885 1 Rpt6 18885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18885 _Assembly.ID 1 _Assembly.Name Rpt6 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rpt6 4-helix bundle' 1 $Rpt6 A . yes native yes yes . . 'Rpt6 C-terminal domain primary conformation' 18885 1 2 'Rpt6 partially unfolded' 1 $Rpt6 A . yes native yes yes . . 'Rpt6 C-terminal domain minor conformation' 18885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpt6 _Entity.Sf_category entity _Entity.Sf_framecode Rpt6 _Entity.Entry_ID 18885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpt6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSQHMPPSVAARAE ILRIHSRKMNLTRGINLRKV AEKMNGCSGADVKGVCTEAG MYALRERRIHVTQEDFELAV GKVMNKNQETAISVAKLFK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain [318-405]' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 4CR2 . "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 2 no PDB 4CR3 . "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 3 no PDB 4CR4 . "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 4 no PDB 5A5B . "Structure Of The 26s Proteasome-ubp6 Complex" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 5 no DBJ GAA23341 . "K7_Rpt6p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 6 no EMBL CAA47023 . "sug1 [Saccharomyces cerevisiae]" . . . . . 88.89 405 100.00 100.00 1.51e-53 . . . . 18885 1 7 no EMBL CAA96750 . "SUG1 [Saccharomyces cerevisiae]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 8 no EMBL CAY79712 . "Rpt6p [Saccharomyces cerevisiae EC1118]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 9 no EMBL CCD24599 . "hypothetical protein NDAI_0D02850 [Naumovozyma dairenensis CBS 421]" . . . . . 88.89 405 98.86 100.00 2.62e-53 . . . . 18885 1 10 no GB AAA35138 . "Tat-binding protein [Saccharomyces cerevisiae]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 11 no GB AAB35417 . "26S protease subunit S8=SUG1 homolog [human, erythrocytes, Peptide, 405 aa]" . . . . . 88.89 405 100.00 100.00 1.51e-53 . . . . 18885 1 12 no GB AAT93154 . "YGL048C [Saccharomyces cerevisiae]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 13 no GB AHY79325 . "Rpt6p [Saccharomyces cerevisiae YJM993]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 14 no GB AJP38743 . "Rpt6p [Saccharomyces cerevisiae YJM1078]" . . . . . 88.89 405 100.00 100.00 1.51e-53 . . . . 18885 1 15 no PRF 1813279A . "SUG1 gene" . . . . . 83.84 400 100.00 100.00 6.71e-50 . . . . 18885 1 16 no REF NP_011467 . "proteasome regulatory particle base subunit RPT6 [Saccharomyces cerevisiae S288c]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 17 no REF XP_003669842 . "hypothetical protein NDAI_0D02850 [Naumovozyma dairenensis CBS 421]" . . . . . 88.89 405 98.86 100.00 2.62e-53 . . . . 18885 1 18 no SP Q01939 . "RecName: Full=26S protease regulatory subunit 8 homolog; AltName: Full=Protein CIM3; AltName: Full=Protein SUG1; AltName: Full=" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 19 no TPG DAA08053 . "TPA: proteasome regulatory particle base subunit RPT6 [Saccharomyces cerevisiae S288c]" . . . . . 88.89 405 100.00 100.00 1.54e-53 . . . . 18885 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'proteasome assembly; proteasome substrate unfolding' 18885 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 . MET . 18885 1 2 . HIS . 18885 1 3 . HIS . 18885 1 4 . HIS . 18885 1 5 . HIS . 18885 1 6 . HIS . 18885 1 7 . HIS . 18885 1 8 . SER . 18885 1 9 . GLN . 18885 1 10 . HIS . 18885 1 11 . MET . 18885 1 12 . PRO . 18885 1 13 . PRO . 18885 1 14 . SER . 18885 1 15 . VAL . 18885 1 16 . ALA . 18885 1 17 . ALA . 18885 1 18 . ARG . 18885 1 19 . ALA . 18885 1 20 . GLU . 18885 1 21 . ILE . 18885 1 22 . LEU . 18885 1 23 . ARG . 18885 1 24 . ILE . 18885 1 25 . HIS . 18885 1 26 . SER . 18885 1 27 . ARG . 18885 1 28 . LYS . 18885 1 29 . MET . 18885 1 30 . ASN . 18885 1 31 . LEU . 18885 1 32 . THR . 18885 1 33 . ARG . 18885 1 34 . GLY . 18885 1 35 . ILE . 18885 1 36 . ASN . 18885 1 37 . LEU . 18885 1 38 . ARG . 18885 1 39 . LYS . 18885 1 40 . VAL . 18885 1 41 . ALA . 18885 1 42 . GLU . 18885 1 43 . LYS . 18885 1 44 . MET . 18885 1 45 . ASN . 18885 1 46 . GLY . 18885 1 47 . CYS . 18885 1 48 . SER . 18885 1 49 . GLY . 18885 1 50 . ALA . 18885 1 51 . ASP . 18885 1 52 . VAL . 18885 1 53 . LYS . 18885 1 54 . GLY . 18885 1 55 . VAL . 18885 1 56 . CYS . 18885 1 57 . THR . 18885 1 58 . GLU . 18885 1 59 . ALA . 18885 1 60 . GLY . 18885 1 61 . MET . 18885 1 62 . TYR . 18885 1 63 . ALA . 18885 1 64 . LEU . 18885 1 65 . ARG . 18885 1 66 . GLU . 18885 1 67 . ARG . 18885 1 68 . ARG . 18885 1 69 . ILE . 18885 1 70 . HIS . 18885 1 71 . VAL . 18885 1 72 . THR . 18885 1 73 . GLN . 18885 1 74 . GLU . 18885 1 75 . ASP . 18885 1 76 . PHE . 18885 1 77 . GLU . 18885 1 78 . LEU . 18885 1 79 . ALA . 18885 1 80 . VAL . 18885 1 81 . GLY . 18885 1 82 . LYS . 18885 1 83 . VAL . 18885 1 84 . MET . 18885 1 85 . ASN . 18885 1 86 . LYS . 18885 1 87 . ASN . 18885 1 88 . GLN . 18885 1 89 . GLU . 18885 1 90 . THR . 18885 1 91 . ALA . 18885 1 92 . ILE . 18885 1 93 . SER . 18885 1 94 . VAL . 18885 1 95 . ALA . 18885 1 96 . LYS . 18885 1 97 . LEU . 18885 1 98 . PHE . 18885 1 99 . LYS . 18885 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 . MET 1 1 18885 1 . HIS 2 2 18885 1 . HIS 3 3 18885 1 . HIS 4 4 18885 1 . HIS 5 5 18885 1 . HIS 6 6 18885 1 . HIS 7 7 18885 1 . SER 8 8 18885 1 . GLN 9 9 18885 1 . HIS 10 10 18885 1 . MET 11 11 18885 1 . PRO 12 12 18885 1 . PRO 13 13 18885 1 . SER 14 14 18885 1 . VAL 15 15 18885 1 . ALA 16 16 18885 1 . ALA 17 17 18885 1 . ARG 18 18 18885 1 . ALA 19 19 18885 1 . GLU 20 20 18885 1 . ILE 21 21 18885 1 . LEU 22 22 18885 1 . ARG 23 23 18885 1 . ILE 24 24 18885 1 . HIS 25 25 18885 1 . SER 26 26 18885 1 . ARG 27 27 18885 1 . LYS 28 28 18885 1 . MET 29 29 18885 1 . ASN 30 30 18885 1 . LEU 31 31 18885 1 . THR 32 32 18885 1 . ARG 33 33 18885 1 . GLY 34 34 18885 1 . ILE 35 35 18885 1 . ASN 36 36 18885 1 . LEU 37 37 18885 1 . ARG 38 38 18885 1 . LYS 39 39 18885 1 . VAL 40 40 18885 1 . ALA 41 41 18885 1 . GLU 42 42 18885 1 . LYS 43 43 18885 1 . MET 44 44 18885 1 . ASN 45 45 18885 1 . GLY 46 46 18885 1 . CYS 47 47 18885 1 . SER 48 48 18885 1 . GLY 49 49 18885 1 . ALA 50 50 18885 1 . ASP 51 51 18885 1 . VAL 52 52 18885 1 . LYS 53 53 18885 1 . GLY 54 54 18885 1 . VAL 55 55 18885 1 . CYS 56 56 18885 1 . THR 57 57 18885 1 . GLU 58 58 18885 1 . ALA 59 59 18885 1 . GLY 60 60 18885 1 . MET 61 61 18885 1 . TYR 62 62 18885 1 . ALA 63 63 18885 1 . LEU 64 64 18885 1 . ARG 65 65 18885 1 . GLU 66 66 18885 1 . ARG 67 67 18885 1 . ARG 68 68 18885 1 . ILE 69 69 18885 1 . HIS 70 70 18885 1 . VAL 71 71 18885 1 . THR 72 72 18885 1 . GLN 73 73 18885 1 . GLU 74 74 18885 1 . ASP 75 75 18885 1 . PHE 76 76 18885 1 . GLU 77 77 18885 1 . LEU 78 78 18885 1 . ALA 79 79 18885 1 . VAL 80 80 18885 1 . GLY 81 81 18885 1 . LYS 82 82 18885 1 . VAL 83 83 18885 1 . MET 84 84 18885 1 . ASN 85 85 18885 1 . LYS 86 86 18885 1 . ASN 87 87 18885 1 . GLN 88 88 18885 1 . GLU 89 89 18885 1 . THR 90 90 18885 1 . ALA 91 91 18885 1 . ILE 92 92 18885 1 . SER 93 93 18885 1 . VAL 94 94 18885 1 . ALA 95 95 18885 1 . LYS 96 96 18885 1 . LEU 97 97 18885 1 . PHE 98 98 18885 1 . LYS 99 99 18885 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18885 _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 $Rpt6 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18885 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 18885 _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 $Rpt6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pRSF-duet1 . . . . . . 18885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18885 _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 Rpt6 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Rpt6 . . 0.3 . . mM . . . . 18885 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 14 . . mM . . . . 18885 1 3 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18885 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18885 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 18885 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 18885 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18885 _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 pH 6.8 . pH 18885 1 pressure 1 . atm 18885 1 temperature 273 . K 18885 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18885 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18885 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18885 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 18885 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18885 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 'cold probe' . . 18885 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 18885 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 1 7 '2D ZZ-Exchange Spectroscopy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18885 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 18885 _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 . . . . . . . . . 18885 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18885 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18885 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_1 _Assigned_chem_shift_list.Entry_ID 18885 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18885 1 2 '3D HNCA' . . . 18885 1 3 '3D HN(CO)CA' . . . 18885 1 4 '3D HNCACB' . . . 18885 1 5 '3D HNCO' . . . 18885 1 6 '3D HNCACO' . . . 18885 1 7 '2D ZZ-Exchange Spectroscopy' . . . 18885 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 16 16 ALA H H 1 8.203 . . 1 . . . . 322 ALA HN . 18885 1 2 . 1 1 16 16 ALA C C 13 180.6 . . 1 . . . . 322 ALA C . 18885 1 3 . 1 1 16 16 ALA CA C 13 54.9 . . 1 . . . . 322 ALA CA . 18885 1 4 . 1 1 16 16 ALA N N 15 121.9 . . 1 . . . . 322 ALA N . 18885 1 5 . 1 1 17 17 ALA H H 1 7.946 . . 1 . . . . 323 ALA HN . 18885 1 6 . 1 1 17 17 ALA C C 13 180.9 . . 1 . . . . 323 ALA C . 18885 1 7 . 1 1 17 17 ALA CA C 13 54.6 . . 1 . . . . 323 ALA CA . 18885 1 8 . 1 1 17 17 ALA N N 15 120.98 . . 1 . . . . 323 ALA N . 18885 1 9 . 1 1 18 18 ARG H H 1 8.295 . . 1 . . . . 324 ARG HN . 18885 1 10 . 1 1 18 18 ARG C C 13 177.8 . . 1 . . . . 324 ARG C . 18885 1 11 . 1 1 18 18 ARG CA C 13 60 . . 1 . . . . 324 ARG CA . 18885 1 12 . 1 1 18 18 ARG N N 15 118.12 . . 1 . . . . 324 ARG N . 18885 1 13 . 1 1 19 19 ALA H H 1 8.565 . . 1 . . . . 325 ALA HN . 18885 1 14 . 1 1 19 19 ALA C C 13 179.3 . . 1 . . . . 325 ALA C . 18885 1 15 . 1 1 19 19 ALA CA C 13 55.3 . . 1 . . . . 325 ALA CA . 18885 1 16 . 1 1 19 19 ALA CB C 13 17.2 . . 1 . . . . 325 ALA CB . 18885 1 17 . 1 1 19 19 ALA N N 15 120.94 . . 1 . . . . 325 ALA N . 18885 1 18 . 1 1 20 20 GLU H H 1 7.707 . . 1 . . . . 326 GLU HN . 18885 1 19 . 1 1 20 20 GLU C C 13 178.1 . . 1 . . . . 326 GLU C . 18885 1 20 . 1 1 20 20 GLU CA C 13 58.4 . . 1 . . . . 326 GLU CA . 18885 1 21 . 1 1 20 20 GLU CB C 13 29.1 . . 1 . . . . 326 GLU CB . 18885 1 22 . 1 1 20 20 GLU N N 15 119.06 . . 1 . . . . 326 GLU N . 18885 1 23 . 1 1 21 21 ILE H H 1 7.772 . . 1 . . . . 327 ILE HN . 18885 1 24 . 1 1 21 21 ILE C C 13 178.5 . . 1 . . . . 327 ILE C . 18885 1 25 . 1 1 21 21 ILE CA C 13 65.1 . . 1 . . . . 327 ILE CA . 18885 1 26 . 1 1 21 21 ILE CB C 13 38.1 . . 1 . . . . 327 ILE CB . 18885 1 27 . 1 1 21 21 ILE N N 15 120 . . 1 . . . . 327 ILE N . 18885 1 28 . 1 1 22 22 LEU H H 1 8.153 . . 1 . . . . 328 LEU HN . 18885 1 29 . 1 1 22 22 LEU C C 13 177.9 . . 1 . . . . 328 LEU C . 18885 1 30 . 1 1 22 22 LEU CA C 13 58 . . 1 . . . . 328 LEU CA . 18885 1 31 . 1 1 22 22 LEU CB C 13 42.6 . . 1 . . . . 328 LEU CB . 18885 1 32 . 1 1 22 22 LEU N N 15 119.53 . . 1 . . . . 328 LEU N . 18885 1 33 . 1 1 23 23 ARG H H 1 8.125 . . 1 . . . . 329 ARG HN . 18885 1 34 . 1 1 23 23 ARG C C 13 178.8 . . 1 . . . . 329 ARG C . 18885 1 35 . 1 1 23 23 ARG CA C 13 59.6 . . 1 . . . . 329 ARG CA . 18885 1 36 . 1 1 23 23 ARG N N 15 121.22 . . 1 . . . . 329 ARG N . 18885 1 37 . 1 1 24 24 ILE H H 1 8.163 . . 1 . . . . 330 ILE HN . 18885 1 38 . 1 1 24 24 ILE C C 13 179.6 . . 1 . . . . 330 ILE C . 18885 1 39 . 1 1 24 24 ILE CA C 13 65 . . 1 . . . . 330 ILE CA . 18885 1 40 . 1 1 24 24 ILE N N 15 119.47 . . 1 . . . . 330 ILE N . 18885 1 41 . 1 1 25 25 HIS H H 1 8.17 . . 1 . . . . 331 HIS HN . 18885 1 42 . 1 1 25 25 HIS C C 13 176.7 . . 1 . . . . 331 HIS C . 18885 1 43 . 1 1 25 25 HIS CA C 13 59.2 . . 1 . . . . 331 HIS CA . 18885 1 44 . 1 1 25 25 HIS CB C 13 30.4 . . 1 . . . . 331 HIS CB . 18885 1 45 . 1 1 25 25 HIS N N 15 116.25 . . 1 . . . . 331 HIS N . 18885 1 46 . 1 1 26 26 SER H H 1 8.08 . . 1 . . . . 332 SER HN . 18885 1 47 . 1 1 26 26 SER C C 13 176.2 . . 1 . . . . 332 SER C . 18885 1 48 . 1 1 26 26 SER CA C 13 59.1 . . 1 . . . . 332 SER CA . 18885 1 49 . 1 1 26 26 SER CB C 13 64.9 . . 1 . . . . 332 SER CB . 18885 1 50 . 1 1 26 26 SER N N 15 113.44 . . 1 . . . . 332 SER N . 18885 1 51 . 1 1 27 27 ARG H H 1 7.211 . . 1 . . . . 333 ARG HN . 18885 1 52 . 1 1 27 27 ARG C C 13 177.2 . . 1 . . . . 333 ARG C . 18885 1 53 . 1 1 27 27 ARG CA C 13 59 . . 1 . . . . 333 ARG CA . 18885 1 54 . 1 1 27 27 ARG CB C 13 30.2 . . 1 . . . . 333 ARG CB . 18885 1 55 . 1 1 27 27 ARG N N 15 121.87 . . 1 . . . . 333 ARG N . 18885 1 56 . 1 1 28 28 LYS H H 1 8.214 . . 1 . . . . 334 LYS HN . 18885 1 57 . 1 1 28 28 LYS C C 13 176.9 . . 1 . . . . 334 LYS C . 18885 1 58 . 1 1 28 28 LYS CA C 13 55.6 . . 1 . . . . 334 LYS CA . 18885 1 59 . 1 1 28 28 LYS CB C 13 31.9 . . 1 . . . . 334 LYS CB . 18885 1 60 . 1 1 28 28 LYS N N 15 115.78 . . 1 . . . . 334 LYS N . 18885 1 61 . 1 1 29 29 MET C C 13 174.7 . . 1 . . . . 335 MET C . 18885 1 62 . 1 1 29 29 MET CA C 13 55.2 . . 1 . . . . 335 MET CA . 18885 1 63 . 1 1 30 30 ASN H H 1 8.93 . . 1 . . . . 336 ASN HN . 18885 1 64 . 1 1 30 30 ASN C C 13 173.9 . . 1 . . . . 336 ASN C . 18885 1 65 . 1 1 30 30 ASN CA C 13 52 . . 1 . . . . 336 ASN CA . 18885 1 66 . 1 1 30 30 ASN CB C 13 37.9 . . 1 . . . . 336 ASN CB . 18885 1 67 . 1 1 30 30 ASN N N 15 120.47 . . 1 . . . . 336 ASN N . 18885 1 68 . 1 1 31 31 LEU H H 1 8.366 . . 1 . . . . 337 LEU HN . 18885 1 69 . 1 1 31 31 LEU C C 13 178 . . 1 . . . . 337 LEU C . 18885 1 70 . 1 1 31 31 LEU CA C 13 54.4 . . 1 . . . . 337 LEU CA . 18885 1 71 . 1 1 31 31 LEU CB C 13 42.6 . . 1 . . . . 337 LEU CB . 18885 1 72 . 1 1 31 31 LEU N N 15 123.28 . . 1 . . . . 337 LEU N . 18885 1 73 . 1 1 32 32 THR H H 1 8.251 . . 1 . . . . 338 THR HN . 18885 1 74 . 1 1 32 32 THR C C 13 174.4 . . 1 . . . . 338 THR C . 18885 1 75 . 1 1 32 32 THR CA C 13 63 . . 1 . . . . 338 THR CA . 18885 1 76 . 1 1 32 32 THR CB C 13 70 . . 1 . . . . 338 THR CB . 18885 1 77 . 1 1 32 32 THR N N 15 116.72 . . 1 . . . . 338 THR N . 18885 1 78 . 1 1 33 33 ARG H H 1 8.434 . . 1 . . . . 339 ARG HN . 18885 1 79 . 1 1 33 33 ARG C C 13 175 . . 1 . . . . 339 ARG C . 18885 1 80 . 1 1 33 33 ARG CA C 13 57.6 . . 1 . . . . 339 ARG CA . 18885 1 81 . 1 1 33 33 ARG CB C 13 29.8 . . 1 . . . . 339 ARG CB . 18885 1 82 . 1 1 33 33 ARG N N 15 124.68 . . 1 . . . . 339 ARG N . 18885 1 83 . 1 1 34 34 GLY H H 1 8.794 . . 1 . . . . 340 GLY HN . 18885 1 84 . 1 1 34 34 GLY C C 13 174.9 . . 1 . . . . 340 GLY C . 18885 1 85 . 1 1 34 34 GLY CA C 13 44.25 . . 1 . . . . 340 GLY CA . 18885 1 86 . 1 1 34 34 GLY N N 15 111.09 . . 1 . . . . 340 GLY N . 18885 1 87 . 1 1 35 35 ILE H H 1 7.311 . . 1 . . . . 341 ILE HN . 18885 1 88 . 1 1 35 35 ILE C C 13 174.2 . . 1 . . . . 341 ILE C . 18885 1 89 . 1 1 35 35 ILE CA C 13 61.5 . . 1 . . . . 341 ILE CA . 18885 1 90 . 1 1 35 35 ILE CB C 13 38.1 . . 1 . . . . 341 ILE CB . 18885 1 91 . 1 1 35 35 ILE N N 15 121.4 . . 1 . . . . 341 ILE N . 18885 1 92 . 1 1 36 36 ASN H H 1 9.186 . . 1 . . . . 342 ASN HN . 18885 1 93 . 1 1 36 36 ASN C C 13 175.9 . . 1 . . . . 342 ASN C . 18885 1 94 . 1 1 36 36 ASN CA C 13 51 . . 1 . . . . 342 ASN CA . 18885 1 95 . 1 1 36 36 ASN CB C 13 38.4 . . 1 . . . . 342 ASN CB . 18885 1 96 . 1 1 36 36 ASN N N 15 126.56 . . 1 . . . . 342 ASN N . 18885 1 97 . 1 1 37 37 LEU H H 1 8.728 . . 1 . . . . 343 LEU HN . 18885 1 98 . 1 1 37 37 LEU C C 13 179.2 . . 1 . . . . 343 LEU C . 18885 1 99 . 1 1 37 37 LEU CA C 13 56.5 . . 1 . . . . 343 LEU CA . 18885 1 100 . 1 1 37 37 LEU CB C 13 41 . . 1 . . . . 343 LEU CB . 18885 1 101 . 1 1 37 37 LEU N N 15 123.28 . . 1 . . . . 343 LEU N . 18885 1 102 . 1 1 38 38 ARG H H 1 8.172 . . 1 . . . . 344 ARG HN . 18885 1 103 . 1 1 38 38 ARG C C 13 177.9 . . 1 . . . . 344 ARG C . 18885 1 104 . 1 1 38 38 ARG CA C 13 59.5 . . 1 . . . . 344 ARG CA . 18885 1 105 . 1 1 38 38 ARG CB C 13 32.7 . . 1 . . . . 344 ARG CB . 18885 1 106 . 1 1 38 38 ARG N N 15 121.4 . . 1 . . . . 344 ARG N . 18885 1 107 . 1 1 39 39 LYS H H 1 7.304 . . 1 . . . . 345 LYS HN . 18885 1 108 . 1 1 39 39 LYS C C 13 179.2 . . 1 . . . . 345 LYS C . 18885 1 109 . 1 1 39 39 LYS CA C 13 58.3 . . 1 . . . . 345 LYS CA . 18885 1 110 . 1 1 39 39 LYS CB C 13 32.3 . . 1 . . . . 345 LYS CB . 18885 1 111 . 1 1 39 39 LYS N N 15 117.66 . . 1 . . . . 345 LYS N . 18885 1 112 . 1 1 40 40 VAL H H 1 6.822 . . 1 . . . . 346 VAL HN . 18885 1 113 . 1 1 40 40 VAL C C 13 177.1 . . 1 . . . . 346 VAL C . 18885 1 114 . 1 1 40 40 VAL CA C 13 66.2 . . 1 . . . . 346 VAL CA . 18885 1 115 . 1 1 40 40 VAL CB C 13 31 . . 1 . . . . 346 VAL CB . 18885 1 116 . 1 1 40 40 VAL N N 15 117.66 . . 1 . . . . 346 VAL N . 18885 1 117 . 1 1 41 41 ALA H H 1 8.06 . . 1 . . . . 347 ALA HN . 18885 1 118 . 1 1 41 41 ALA C C 13 181.3 . . 1 . . . . 347 ALA C . 18885 1 119 . 1 1 41 41 ALA CA C 13 55.1 . . 1 . . . . 347 ALA CA . 18885 1 120 . 1 1 41 41 ALA N N 15 119.86 . . 1 . . . . 347 ALA N . 18885 1 121 . 1 1 42 42 GLU H H 1 8.388 . . 1 . . . . 348 GLU HN . 18885 1 122 . 1 1 42 42 GLU C C 13 177.4 . . 1 . . . . 348 GLU C . 18885 1 123 . 1 1 42 42 GLU CA C 13 58.9 . . 1 . . . . 348 GLU CA . 18885 1 124 . 1 1 42 42 GLU CB C 13 29.9 . . 1 . . . . 348 GLU CB . 18885 1 125 . 1 1 42 42 GLU N N 15 119.06 . . 1 . . . . 348 GLU N . 18885 1 126 . 1 1 43 43 LYS H H 1 7.392 . . 1 . . . . 349 LYS HN . 18885 1 127 . 1 1 43 43 LYS C C 13 176.9 . . 1 . . . . 349 LYS C . 18885 1 128 . 1 1 43 43 LYS CA C 13 56.8 . . 1 . . . . 349 LYS CA . 18885 1 129 . 1 1 43 43 LYS CB C 13 32.8 . . 1 . . . . 349 LYS CB . 18885 1 130 . 1 1 43 43 LYS N N 15 116.77 . . 1 . . . . 349 LYS N . 18885 1 131 . 1 1 44 44 MET H H 1 7.103 . . 1 . . . . 350 MET HN . 18885 1 132 . 1 1 44 44 MET C C 13 176.7 . . 1 . . . . 350 MET C . 18885 1 133 . 1 1 44 44 MET CA C 13 55.5 . . 1 . . . . 350 MET CA . 18885 1 134 . 1 1 44 44 MET CB C 13 30.4 . . 1 . . . . 350 MET CB . 18885 1 135 . 1 1 44 44 MET N N 15 116.25 . . 1 . . . . 350 MET N . 18885 1 136 . 1 1 45 45 ASN H H 1 7.666 . . 1 . . . . 351 ASN HN . 18885 1 137 . 1 1 45 45 ASN C C 13 178.7 . . 1 . . . . 351 ASN C . 18885 1 138 . 1 1 45 45 ASN CA C 13 55.3 . . 1 . . . . 351 ASN CA . 18885 1 139 . 1 1 45 45 ASN CB C 13 40.4 . . 1 . . . . 351 ASN CB . 18885 1 140 . 1 1 45 45 ASN N N 15 118.12 . . 1 . . . . 351 ASN N . 18885 1 141 . 1 1 46 46 GLY H H 1 8.433 . . 1 . . . . 352 GLY HN . 18885 1 142 . 1 1 46 46 GLY C C 13 174.5 . . 1 . . . . 352 GLY C . 18885 1 143 . 1 1 46 46 GLY CA C 13 45.4 . . 1 . . . . 352 GLY CA . 18885 1 144 . 1 1 46 46 GLY N N 15 112.03 . . 1 . . . . 352 GLY N . 18885 1 145 . 1 1 47 47 CYS H H 1 7.687 . . 1 . . . . 353 CYS HN . 18885 1 146 . 1 1 47 47 CYS C C 13 174.2 . . 1 . . . . 353 CYS C . 18885 1 147 . 1 1 47 47 CYS CA C 13 59.2 . . 1 . . . . 353 CYS CA . 18885 1 148 . 1 1 47 47 CYS CB C 13 29.4 . . 1 . . . . 353 CYS CB . 18885 1 149 . 1 1 47 47 CYS N N 15 117.19 . . 1 . . . . 353 CYS N . 18885 1 150 . 1 1 48 48 SER H H 1 9.342 . . 1 . . . . 354 SER HN . 18885 1 151 . 1 1 48 48 SER C C 13 176.7 . . 1 . . . . 354 SER C . 18885 1 152 . 1 1 48 48 SER CA C 13 56.8 . . 1 . . . . 354 SER CA . 18885 1 153 . 1 1 48 48 SER CB C 13 65.8 . . 1 . . . . 354 SER CB . 18885 1 154 . 1 1 48 48 SER N N 15 118.12 . . 1 . . . . 354 SER N . 18885 1 155 . 1 1 49 49 GLY H H 1 9.144 . . 1 . . . . 355 GLY HN . 18885 1 156 . 1 1 49 49 GLY C C 13 176.5 . . 1 . . . . 355 GLY C . 18885 1 157 . 1 1 49 49 GLY CA C 13 47.6 . . 1 . . . . 355 GLY CA . 18885 1 158 . 1 1 49 49 GLY N N 15 108.75 . . 1 . . . . 355 GLY N . 18885 1 159 . 1 1 50 50 ALA H H 1 8.271 . . 1 . . . . 356 ALA HN . 18885 1 160 . 1 1 50 50 ALA C C 13 180.5 . . 1 . . . . 356 ALA C . 18885 1 161 . 1 1 50 50 ALA CA C 13 54.6 . . 1 . . . . 356 ALA CA . 18885 1 162 . 1 1 50 50 ALA CB C 13 19.3 . . 1 . . . . 356 ALA CB . 18885 1 163 . 1 1 50 50 ALA N N 15 123.85 . . 1 . . . . 356 ALA N . 18885 1 164 . 1 1 51 51 ASP H H 1 7.868 . . 1 . . . . 357 ASP HN . 18885 1 165 . 1 1 51 51 ASP C C 13 177.8 . . 1 . . . . 357 ASP C . 18885 1 166 . 1 1 51 51 ASP CA C 13 56.7 . . 1 . . . . 357 ASP CA . 18885 1 167 . 1 1 51 51 ASP CB C 13 40.9 . . 1 . . . . 357 ASP CB . 18885 1 168 . 1 1 51 51 ASP N N 15 120 . . 1 . . . . 357 ASP N . 18885 1 169 . 1 1 52 52 VAL H H 1 7.748 . . 1 . . . . 358 VAL HN . 18885 1 170 . 1 1 52 52 VAL C C 13 179.3 . . 1 . . . . 358 VAL C . 18885 1 171 . 1 1 52 52 VAL CA C 13 66.7 . . 1 . . . . 358 VAL CA . 18885 1 172 . 1 1 52 52 VAL CB C 13 31.3 . . 1 . . . . 358 VAL CB . 18885 1 173 . 1 1 52 52 VAL N N 15 119.06 . . 1 . . . . 358 VAL N . 18885 1 174 . 1 1 53 53 LYS H H 1 7.735 . . 1 . . . . 359 LYS HN . 18885 1 175 . 1 1 53 53 LYS C C 13 179.2 . . 1 . . . . 359 LYS C . 18885 1 176 . 1 1 53 53 LYS CA C 13 60.1 . . 1 . . . . 359 LYS CA . 18885 1 177 . 1 1 53 53 LYS CB C 13 32.1 . . 1 . . . . 359 LYS CB . 18885 1 178 . 1 1 53 53 LYS N N 15 119.06 . . 1 . . . . 359 LYS N . 18885 1 179 . 1 1 54 54 GLY H H 1 8.168 . . 1 . . . . 360 GLY HN . 18885 1 180 . 1 1 54 54 GLY C C 13 176.4 . . 1 . . . . 360 GLY C . 18885 1 181 . 1 1 54 54 GLY CA C 13 46.9 . . 1 . . . . 360 GLY CA . 18885 1 182 . 1 1 54 54 GLY N N 15 106.88 . . 1 . . . . 360 GLY N . 18885 1 183 . 1 1 55 55 VAL H H 1 8.222 . . 1 . . . . 361 VAL HN . 18885 1 184 . 1 1 55 55 VAL C C 13 177.22 . . 1 . . . . 361 VAL C . 18885 1 185 . 1 1 55 55 VAL CA C 13 66.7 . . 1 . . . . 361 VAL CA . 18885 1 186 . 1 1 55 55 VAL N N 15 122.51 . . 1 . . . . 361 VAL N . 18885 1 187 . 1 1 56 56 CYS H H 1 7.577 . . 1 . . . . 362 CYS HN . 18885 1 188 . 1 1 56 56 CYS C C 13 176.7 . . 1 . . . . 362 CYS C . 18885 1 189 . 1 1 56 56 CYS CA C 13 64.2 . . 1 . . . . 362 CYS CA . 18885 1 190 . 1 1 56 56 CYS CB C 13 27.1 . . 1 . . . . 362 CYS CB . 18885 1 191 . 1 1 56 56 CYS N N 15 117.23 . . 1 . . . . 362 CYS N . 18885 1 192 . 1 1 57 57 THR H H 1 8.043 . . 1 . . . . 363 THR HN . 18885 1 193 . 1 1 57 57 THR C C 13 177.3 . . 1 . . . . 363 THR C . 18885 1 194 . 1 1 57 57 THR CA C 13 65.9 . . 1 . . . . 363 THR CA . 18885 1 195 . 1 1 57 57 THR CB C 13 68.8 . . 1 . . . . 363 THR CB . 18885 1 196 . 1 1 57 57 THR N N 15 115.46 . . 1 . . . . 363 THR N . 18885 1 197 . 1 1 58 58 GLU H H 1 8.376 . . 1 . . . . 364 GLU HN . 18885 1 198 . 1 1 58 58 GLU C C 13 177.4 . . 1 . . . . 364 GLU C . 18885 1 199 . 1 1 58 58 GLU CA C 13 58.4 . . 1 . . . . 364 GLU CA . 18885 1 200 . 1 1 58 58 GLU N N 15 121.65 . . 1 . . . . 364 GLU N . 18885 1 201 . 1 1 59 59 ALA H H 1 8.423 . . 1 . . . . 365 ALA HN . 18885 1 202 . 1 1 59 59 ALA C C 13 179.3 . . 1 . . . . 365 ALA C . 18885 1 203 . 1 1 59 59 ALA CA C 13 55.2 . . 1 . . . . 365 ALA CA . 18885 1 204 . 1 1 59 59 ALA CB C 13 18.9 . . 1 . . . . 365 ALA CB . 18885 1 205 . 1 1 59 59 ALA N N 15 122.34 . . 1 . . . . 365 ALA N . 18885 1 206 . 1 1 60 60 GLY H H 1 7.426 . . 1 . . . . 366 GLY HN . 18885 1 207 . 1 1 60 60 GLY C C 13 176.7 . . 1 . . . . 366 GLY C . 18885 1 208 . 1 1 60 60 GLY CA C 13 46.6 . . 1 . . . . 366 GLY CA . 18885 1 209 . 1 1 60 60 GLY N N 15 99.96 . . 1 . . . . 366 GLY N . 18885 1 210 . 1 1 61 61 MET H H 1 7.661 . . 1 . . . . 367 MET HN . 18885 1 211 . 1 1 61 61 MET C C 13 178.9 . . 1 . . . . 367 MET C . 18885 1 212 . 1 1 61 61 MET CA C 13 57.5 . . 1 . . . . 367 MET CA . 18885 1 213 . 1 1 61 61 MET CB C 13 31.2 . . 1 . . . . 367 MET CB . 18885 1 214 . 1 1 61 61 MET N N 15 121.4 . . 1 . . . . 367 MET N . 18885 1 215 . 1 1 62 62 TYR H H 1 8.045 . . 1 . . . . 368 TYR HN . 18885 1 216 . 1 1 62 62 TYR C C 13 178.4 . . 1 . . . . 368 TYR C . 18885 1 217 . 1 1 62 62 TYR CA C 13 61.9 . . 1 . . . . 368 TYR CA . 18885 1 218 . 1 1 62 62 TYR CB C 13 39.5 . . 1 . . . . 368 TYR CB . 18885 1 219 . 1 1 62 62 TYR N N 15 120.94 . . 1 . . . . 368 TYR N . 18885 1 220 . 1 1 63 63 ALA H H 1 7.256 . . 1 . . . . 369 ALA HN . 18885 1 221 . 1 1 63 63 ALA C C 13 179.8 . . 1 . . . . 369 ALA C . 18885 1 222 . 1 1 63 63 ALA CA C 13 55.5 . . 1 . . . . 369 ALA CA . 18885 1 223 . 1 1 63 63 ALA CB C 13 18.5 . . 1 . . . . 369 ALA CB . 18885 1 224 . 1 1 63 63 ALA N N 15 120.47 . . 1 . . . . 369 ALA N . 18885 1 225 . 1 1 64 64 LEU H H 1 7.713 . . 1 . . . . 370 LEU HN . 18885 1 226 . 1 1 64 64 LEU C C 13 182 . . 1 . . . . 370 LEU C . 18885 1 227 . 1 1 64 64 LEU CA C 13 57.9 . . 1 . . . . 370 LEU CA . 18885 1 228 . 1 1 64 64 LEU CB C 13 42.3 . . 1 . . . . 370 LEU CB . 18885 1 229 . 1 1 64 64 LEU N N 15 117.66 . . 1 . . . . 370 LEU N . 18885 1 230 . 1 1 65 65 ARG H H 1 8.414 . . 1 . . . . 371 ARG HN . 18885 1 231 . 1 1 65 65 ARG C C 13 178.1 . . 1 . . . . 371 ARG C . 18885 1 232 . 1 1 65 65 ARG CA C 13 59.2 . . 1 . . . . 371 ARG CA . 18885 1 233 . 1 1 65 65 ARG CB C 13 30.2 . . 1 . . . . 371 ARG CB . 18885 1 234 . 1 1 65 65 ARG N N 15 120.74 . . 1 . . . . 371 ARG N . 18885 1 235 . 1 1 66 66 GLU H H 1 7.358 . . 1 . . . . 372 GLU HN . 18885 1 236 . 1 1 66 66 GLU C C 13 174.6 . . 1 . . . . 372 GLU C . 18885 1 237 . 1 1 66 66 GLU CA C 13 55.6 . . 1 . . . . 372 GLU CA . 18885 1 238 . 1 1 66 66 GLU CB C 13 29.9 . . 1 . . . . 372 GLU CB . 18885 1 239 . 1 1 66 66 GLU N N 15 116.72 . . 1 . . . . 372 GLU N . 18885 1 240 . 1 1 67 67 ARG H H 1 8.109 . . 1 . . . . 373 ARG HN . 18885 1 241 . 1 1 67 67 ARG C C 13 175.3 . . 1 . . . . 373 ARG C . 18885 1 242 . 1 1 67 67 ARG CA C 13 56.7 . . 1 . . . . 373 ARG CA . 18885 1 243 . 1 1 67 67 ARG CB C 13 26.5 . . 1 . . . . 373 ARG CB . 18885 1 244 . 1 1 67 67 ARG N N 15 115.31 . . 1 . . . . 373 ARG N . 18885 1 245 . 1 1 68 68 ARG H H 1 8.18 . . 1 . . . . 374 ARG HN . 18885 1 246 . 1 1 68 68 ARG C C 13 176.3 . . 1 . . . . 374 ARG C . 18885 1 247 . 1 1 68 68 ARG CA C 13 55.3 . . 1 . . . . 374 ARG CA . 18885 1 248 . 1 1 68 68 ARG CB C 13 33.7 . . 1 . . . . 374 ARG CB . 18885 1 249 . 1 1 68 68 ARG N N 15 117.66 . . 1 . . . . 374 ARG N . 18885 1 250 . 1 1 69 69 ILE H H 1 8.242 . . 1 . . . . 375 ILE HN . 18885 1 251 . 1 1 69 69 ILE C C 13 176 . . 1 . . . . 375 ILE C . 18885 1 252 . 1 1 69 69 ILE CA C 13 61.8 . . 1 . . . . 375 ILE CA . 18885 1 253 . 1 1 69 69 ILE CB C 13 38.7 . . 1 . . . . 375 ILE CB . 18885 1 254 . 1 1 69 69 ILE N N 15 117.19 . . 1 . . . . 375 ILE N . 18885 1 255 . 1 1 70 70 HIS H H 1 7.492 . . 1 . . . . 376 HIS HN . 18885 1 256 . 1 1 70 70 HIS C C 13 176.1 . . 1 . . . . 376 HIS C . 18885 1 257 . 1 1 70 70 HIS CA C 13 55.4 . . 1 . . . . 376 HIS CA . 18885 1 258 . 1 1 70 70 HIS CB C 13 32 . . 1 . . . . 376 HIS CB . 18885 1 259 . 1 1 70 70 HIS N N 15 117.19 . . 1 . . . . 376 HIS N . 18885 1 260 . 1 1 71 71 VAL H H 1 8.567 . . 1 . . . . 377 VAL HN . 18885 1 261 . 1 1 71 71 VAL C C 13 176.8 . . 1 . . . . 377 VAL C . 18885 1 262 . 1 1 71 71 VAL CA C 13 61.5 . . 1 . . . . 377 VAL CA . 18885 1 263 . 1 1 71 71 VAL CB C 13 33 . . 1 . . . . 377 VAL CB . 18885 1 264 . 1 1 71 71 VAL N N 15 123.28 . . 1 . . . . 377 VAL N . 18885 1 265 . 1 1 72 72 THR H H 1 9.783 . . 1 . . . . 378 THR HN . 18885 1 266 . 1 1 72 72 THR C C 13 175.9 . . 1 . . . . 378 THR C . 18885 1 267 . 1 1 72 72 THR CA C 13 60.2 . . 1 . . . . 378 THR CA . 18885 1 268 . 1 1 72 72 THR CB C 13 72.7 . . 1 . . . . 378 THR CB . 18885 1 269 . 1 1 72 72 THR N N 15 119.06 . . 1 . . . . 378 THR N . 18885 1 270 . 1 1 73 73 GLN H H 1 9.186 . . 1 . . . . 379 GLN HN . 18885 1 271 . 1 1 73 73 GLN C C 13 178.4 . . 1 . . . . 379 GLN C . 18885 1 272 . 1 1 73 73 GLN CA C 13 59.3 . . 1 . . . . 379 GLN CA . 18885 1 273 . 1 1 73 73 GLN N N 15 120.47 . . 1 . . . . 379 GLN N . 18885 1 274 . 1 1 74 74 GLU H H 1 8.485 . . 1 . . . . 380 GLU HN . 18885 1 275 . 1 1 74 74 GLU C C 13 178.2 . . 1 . . . . 380 GLU C . 18885 1 276 . 1 1 74 74 GLU CA C 13 60.2 . . 1 . . . . 380 GLU CA . 18885 1 277 . 1 1 74 74 GLU CB C 13 28.8 . . 1 . . . . 380 GLU CB . 18885 1 278 . 1 1 74 74 GLU N N 15 117.66 . . 1 . . . . 380 GLU N . 18885 1 279 . 1 1 75 75 ASP H H 1 7.738 . . 1 . . . . 381 ASP HN . 18885 1 280 . 1 1 75 75 ASP C C 13 179 . . 1 . . . . 381 ASP C . 18885 1 281 . 1 1 75 75 ASP CA C 13 58 . . 1 . . . . 381 ASP CA . 18885 1 282 . 1 1 75 75 ASP CB C 13 40.2 . . 1 . . . . 381 ASP CB . 18885 1 283 . 1 1 75 75 ASP N N 15 120.94 . . 1 . . . . 381 ASP N . 18885 1 284 . 1 1 76 76 PHE H H 1 7.461 . . 1 . . . . 382 PHE HN . 18885 1 285 . 1 1 76 76 PHE C C 13 178.1 . . 1 . . . . 382 PHE C . 18885 1 286 . 1 1 76 76 PHE CA C 13 62.9 . . 1 . . . . 382 PHE CA . 18885 1 287 . 1 1 76 76 PHE CB C 13 38.7 . . 1 . . . . 382 PHE CB . 18885 1 288 . 1 1 76 76 PHE N N 15 115.31 . . 1 . . . . 382 PHE N . 18885 1 289 . 1 1 77 77 GLU H H 1 8.457 . . 1 . . . . 383 GLU HN . 18885 1 290 . 1 1 77 77 GLU C C 13 180.4 . . 1 . . . . 383 GLU C . 18885 1 291 . 1 1 77 77 GLU CA C 13 60.3 . . 1 . . . . 383 GLU CA . 18885 1 292 . 1 1 77 77 GLU CB C 13 29.2 . . 1 . . . . 383 GLU CB . 18885 1 293 . 1 1 77 77 GLU N N 15 118.59 . . 1 . . . . 383 GLU N . 18885 1 294 . 1 1 78 78 LEU H H 1 8.594 . . 1 . . . . 384 LEU HN . 18885 1 295 . 1 1 78 78 LEU C C 13 179.8 . . 1 . . . . 384 LEU C . 18885 1 296 . 1 1 78 78 LEU CA C 13 57.4 . . 1 . . . . 384 LEU CA . 18885 1 297 . 1 1 78 78 LEU CB C 13 41.2 . . 1 . . . . 384 LEU CB . 18885 1 298 . 1 1 78 78 LEU N N 15 121.87 . . 1 . . . . 384 LEU N . 18885 1 299 . 1 1 79 79 ALA H H 1 7.878 . . 1 . . . . 385 ALA HN . 18885 1 300 . 1 1 79 79 ALA C C 13 179.5 . . 1 . . . . 385 ALA C . 18885 1 301 . 1 1 79 79 ALA CA C 13 55.4 . . 1 . . . . 385 ALA CA . 18885 1 302 . 1 1 79 79 ALA CB C 13 20.5 . . 1 . . . . 385 ALA CB . 18885 1 303 . 1 1 79 79 ALA N N 15 122.44 . . 1 . . . . 385 ALA N . 18885 1 304 . 1 1 80 80 VAL H H 1 8.576 . . 1 . . . . 386 VAL HN . 18885 1 305 . 1 1 80 80 VAL C C 13 177.8 . . 1 . . . . 386 VAL C . 18885 1 306 . 1 1 80 80 VAL CA C 13 66.8 . . 1 . . . . 386 VAL CA . 18885 1 307 . 1 1 80 80 VAL CB C 13 31.9 . . 1 . . . . 386 VAL CB . 18885 1 308 . 1 1 80 80 VAL N N 15 118.12 . . 1 . . . . 386 VAL N . 18885 1 309 . 1 1 81 81 GLY H H 1 7.578 . . 1 . . . . 387 GLY HN . 18885 1 310 . 1 1 81 81 GLY C C 13 175.6 . . 1 . . . . 387 GLY C . 18885 1 311 . 1 1 81 81 GLY CA C 13 46.9 . . 1 . . . . 387 GLY CA . 18885 1 312 . 1 1 81 81 GLY N N 15 105 . . 1 . . . . 387 GLY N . 18885 1 313 . 1 1 82 82 LYS H H 1 7.719 . . 1 . . . . 388 LYS HN . 18885 1 314 . 1 1 82 82 LYS C C 13 179.1 . . 1 . . . . 388 LYS C . 18885 1 315 . 1 1 82 82 LYS CA C 13 58.6 . . 1 . . . . 388 LYS CA . 18885 1 316 . 1 1 82 82 LYS CB C 13 33 . . 1 . . . . 388 LYS CB . 18885 1 317 . 1 1 82 82 LYS N N 15 120.47 . . 1 . . . . 388 LYS N . 18885 1 318 . 1 1 83 83 VAL H H 1 8.153 . . 1 . . . . 389 VAL HN . 18885 1 319 . 1 1 83 83 VAL C C 13 177.9 . . 1 . . . . 389 VAL C . 18885 1 320 . 1 1 83 83 VAL CA C 13 65.1 . . 1 . . . . 389 VAL CA . 18885 1 321 . 1 1 83 83 VAL CB C 13 32.7 . . 1 . . . . 389 VAL CB . 18885 1 322 . 1 1 83 83 VAL N N 15 118.16 . . 1 . . . . 389 VAL N . 18885 1 323 . 1 1 84 84 MET H H 1 8.346 . . 1 . . . . 390 MET HN . 18885 1 324 . 1 1 84 84 MET C C 13 177.3 . . 1 . . . . 390 MET C . 18885 1 325 . 1 1 84 84 MET CA C 13 56.3 . . 1 . . . . 390 MET CA . 18885 1 326 . 1 1 84 84 MET CB C 13 31.3 . . 1 . . . . 390 MET CB . 18885 1 327 . 1 1 84 84 MET N N 15 116.06 . . 1 . . . . 390 MET N . 18885 1 328 . 1 1 85 85 ASN H H 1 7.771 . . 1 . . . . 391 ASN HN . 18885 1 329 . 1 1 85 85 ASN C C 13 175.6 . . 1 . . . . 391 ASN C . 18885 1 330 . 1 1 85 85 ASN CA C 13 53.9 . . 1 . . . . 391 ASN CA . 18885 1 331 . 1 1 85 85 ASN CB C 13 38.4 . . 1 . . . . 391 ASN CB . 18885 1 332 . 1 1 85 85 ASN N N 15 117.66 . . 1 . . . . 391 ASN N . 18885 1 333 . 1 1 86 86 LYS H H 1 7.991 . . 1 . . . . 392 LYS HN . 18885 1 334 . 1 1 86 86 LYS C C 13 176.9 . . 1 . . . . 392 LYS C . 18885 1 335 . 1 1 86 86 LYS CA C 13 56.8 . . 1 . . . . 392 LYS CA . 18885 1 336 . 1 1 86 86 LYS CB C 13 32.6 . . 1 . . . . 392 LYS CB . 18885 1 337 . 1 1 86 86 LYS N N 15 120.39 . . 1 . . . . 392 LYS N . 18885 1 338 . 1 1 87 87 ASN H H 1 8.359 . . 1 . . . . 393 ASN HN . 18885 1 339 . 1 1 87 87 ASN C C 13 175.6 . . 1 . . . . 393 ASN C . 18885 1 340 . 1 1 87 87 ASN CA C 13 53.6 . . 1 . . . . 393 ASN CA . 18885 1 341 . 1 1 87 87 ASN CB C 13 38.6 . . 1 . . . . 393 ASN CB . 18885 1 342 . 1 1 87 87 ASN N N 15 118.59 . . 1 . . . . 393 ASN N . 18885 1 343 . 1 1 88 88 GLN H H 1 8.241 . . 1 . . . . 394 GLN HN . 18885 1 344 . 1 1 88 88 GLN C C 13 176.2 . . 1 . . . . 394 GLN C . 18885 1 345 . 1 1 88 88 GLN CA C 13 56.1 . . 1 . . . . 394 GLN CA . 18885 1 346 . 1 1 88 88 GLN CB C 13 29.3 . . 1 . . . . 394 GLN CB . 18885 1 347 . 1 1 88 88 GLN N N 15 120 . . 1 . . . . 394 GLN N . 18885 1 348 . 1 1 89 89 GLU H H 1 8.411 . . 1 . . . . 395 GLU HN . 18885 1 349 . 1 1 89 89 GLU C C 13 176.8 . . 1 . . . . 395 GLU C . 18885 1 350 . 1 1 89 89 GLU CA C 13 56.9 . . 1 . . . . 395 GLU CA . 18885 1 351 . 1 1 89 89 GLU CB C 13 29.9 . . 1 . . . . 395 GLU CB . 18885 1 352 . 1 1 89 89 GLU N N 15 121.4 . . 1 . . . . 395 GLU N . 18885 1 353 . 1 1 90 90 THR H H 1 8.156 . . 1 . . . . 396 THR HN . 18885 1 354 . 1 1 90 90 THR C C 13 174.2 . . 1 . . . . 396 THR C . 18885 1 355 . 1 1 90 90 THR CA C 13 62.1 . . 1 . . . . 396 THR CA . 18885 1 356 . 1 1 90 90 THR CB C 13 69.7 . . 1 . . . . 396 THR CB . 18885 1 357 . 1 1 90 90 THR N N 15 114.84 . . 1 . . . . 396 THR N . 18885 1 358 . 1 1 91 91 ALA H H 1 8.234 . . 1 . . . . 397 ALA HN . 18885 1 359 . 1 1 91 91 ALA C C 13 177.6 . . 1 . . . . 397 ALA C . 18885 1 360 . 1 1 91 91 ALA CA C 13 52.6 . . 1 . . . . 397 ALA CA . 18885 1 361 . 1 1 91 91 ALA CB C 13 19.1 . . 1 . . . . 397 ALA CB . 18885 1 362 . 1 1 91 91 ALA N N 15 126.12 . . 1 . . . . 397 ALA N . 18885 1 363 . 1 1 92 92 ILE H H 1 8.051 . . 1 . . . . 398 ILE HN . 18885 1 364 . 1 1 92 92 ILE C C 13 176.3 . . 1 . . . . 398 ILE C . 18885 1 365 . 1 1 92 92 ILE CA C 13 61.1 . . 1 . . . . 398 ILE CA . 18885 1 366 . 1 1 92 92 ILE CB C 13 38.7 . . 1 . . . . 398 ILE CB . 18885 1 367 . 1 1 92 92 ILE N N 15 119.43 . . 1 . . . . 398 ILE N . 18885 1 368 . 1 1 93 93 SER H H 1 8.251 . . 1 . . . . 399 SER HN . 18885 1 369 . 1 1 93 93 SER C C 13 174.3 . . 1 . . . . 399 SER C . 18885 1 370 . 1 1 93 93 SER CA C 13 58.3 . . 1 . . . . 399 SER CA . 18885 1 371 . 1 1 93 93 SER CB C 13 63.8 . . 1 . . . . 399 SER CB . 18885 1 372 . 1 1 93 93 SER N N 15 119.06 . . 1 . . . . 399 SER N . 18885 1 373 . 1 1 94 94 VAL H H 1 8.111 . . 1 . . . . 400 VAL HN . 18885 1 374 . 1 1 94 94 VAL C C 13 176 . . 1 . . . . 400 VAL C . 18885 1 375 . 1 1 94 94 VAL CA C 13 62.3 . . 1 . . . . 400 VAL CA . 18885 1 376 . 1 1 94 94 VAL CB C 13 32.4 . . 1 . . . . 400 VAL CB . 18885 1 377 . 1 1 94 94 VAL N N 15 121.65 . . 1 . . . . 400 VAL N . 18885 1 378 . 1 1 95 95 ALA H H 1 8.171 . . 1 . . . . 401 ALA HN . 18885 1 379 . 1 1 95 95 ALA C C 13 177.7 . . 1 . . . . 401 ALA C . 18885 1 380 . 1 1 95 95 ALA CA C 13 52.7 . . 1 . . . . 401 ALA CA . 18885 1 381 . 1 1 95 95 ALA CB C 13 19 . . 1 . . . . 401 ALA CB . 18885 1 382 . 1 1 95 95 ALA N N 15 126.32 . . 1 . . . . 401 ALA N . 18885 1 383 . 1 1 96 96 LYS H H 1 8.089 . . 1 . . . . 402 LYS HN . 18885 1 384 . 1 1 96 96 LYS C C 13 176.1 . . 1 . . . . 402 LYS C . 18885 1 385 . 1 1 96 96 LYS CA C 13 56.1 . . 1 . . . . 402 LYS CA . 18885 1 386 . 1 1 96 96 LYS CB C 13 32.9 . . 1 . . . . 402 LYS CB . 18885 1 387 . 1 1 96 96 LYS N N 15 119.8 . . 1 . . . . 402 LYS N . 18885 1 388 . 1 1 97 97 LEU H H 1 8.013 . . 1 . . . . 403 LEU HN . 18885 1 389 . 1 1 97 97 LEU C C 13 176.7 . . 1 . . . . 403 LEU C . 18885 1 390 . 1 1 97 97 LEU CA C 13 54.9 . . 1 . . . . 403 LEU CA . 18885 1 391 . 1 1 97 97 LEU CB C 13 42.6 . . 1 . . . . 403 LEU CB . 18885 1 392 . 1 1 97 97 LEU N N 15 122.34 . . 1 . . . . 403 LEU N . 18885 1 393 . 1 1 98 98 PHE H H 1 8.097 . . 1 . . . . 404 PHE HN . 18885 1 394 . 1 1 98 98 PHE C C 13 174.5 . . 1 . . . . 404 PHE C . 18885 1 395 . 1 1 98 98 PHE CA C 13 57.3 . . 1 . . . . 404 PHE CA . 18885 1 396 . 1 1 98 98 PHE CB C 13 39.6 . . 1 . . . . 404 PHE CB . 18885 1 397 . 1 1 98 98 PHE N N 15 120.35 . . 1 . . . . 404 PHE N . 18885 1 398 . 1 1 99 99 LYS H H 1 7.76 . . 1 . . . . 405 LYS HN . 18885 1 399 . 1 1 99 99 LYS C C 13 180.9 . . 1 . . . . 405 LYS C . 18885 1 400 . 1 1 99 99 LYS CA C 13 57.5 . . 1 . . . . 405 LYS CA . 18885 1 401 . 1 1 99 99 LYS CB C 13 33.8 . . 1 . . . . 405 LYS CB . 18885 1 402 . 1 1 99 99 LYS N N 15 127.07 . . 1 . . . . 405 LYS N . 18885 1 403 . 2 1 30 30 ASN H H 1 8.445 . . 1 . . . . 336 ASN HN . 18885 1 404 . 2 1 30 30 ASN CA C 13 53.4 . . 1 . . . . 336 ASN CA . 18885 1 405 . 2 1 30 30 ASN N N 15 119.57 . . 1 . . . . 336 ASN N . 18885 1 406 . 2 1 33 33 ARG H H 1 8.331 . . 1 . . . . 339 ARG HN . 18885 1 407 . 2 1 33 33 ARG CA C 13 58.4 . . 1 . . . . 339 ARG CA . 18885 1 408 . 2 1 33 33 ARG CB C 13 31.9 . . 1 . . . . 339 ARG CB . 18885 1 409 . 2 1 33 33 ARG N N 15 115.26 . . 1 . . . . 339 ARG N . 18885 1 410 . 2 1 34 34 GLY H H 1 8.483 . . 1 . . . . 340 GLY HN . 18885 1 411 . 2 1 34 34 GLY C C 13 174.1 . . 1 . . . . 340 GLY C . 18885 1 412 . 2 1 34 34 GLY CA C 13 45.2 . . 1 . . . . 340 GLY CA . 18885 1 413 . 2 1 34 34 GLY N N 15 111.09 . . 1 . . . . 340 GLY N . 18885 1 414 . 2 1 35 35 ILE H H 1 7.951 . . 1 . . . . 341 ILE HN . 18885 1 415 . 2 1 35 35 ILE CA C 13 61.2 . . 1 . . . . 341 ILE CA . 18885 1 416 . 2 1 35 35 ILE N N 15 119.45 . . 1 . . . . 341 ILE N . 18885 1 417 . 2 1 40 40 VAL H H 1 8.063 . . 1 . . . . 346 VAL HN . 18885 1 418 . 2 1 40 40 VAL CA C 13 62.2 . . 1 . . . . 346 VAL CA . 18885 1 419 . 2 1 40 40 VAL N N 15 120.98 . . 1 . . . . 346 VAL N . 18885 1 420 . 2 1 43 43 LYS H H 1 8.216 . . 1 . . . . 349 LYS HN . 18885 1 421 . 2 1 43 43 LYS CA C 13 56.2 . . 1 . . . . 349 LYS CA . 18885 1 422 . 2 1 43 43 LYS N N 15 121.36 . . 1 . . . . 349 LYS N . 18885 1 423 . 2 1 48 48 SER CA C 13 56.1 . . 1 . . . . 354 SER CA . 18885 1 424 . 2 1 49 49 GLY H H 1 8.391 . . 1 . . . . 355 GLY HN . 18885 1 425 . 2 1 49 49 GLY C C 13 173.9 . . 1 . . . . 355 GLY C . 18885 1 426 . 2 1 49 49 GLY CA C 13 45.2 . . 1 . . . . 355 GLY CA . 18885 1 427 . 2 1 49 49 GLY N N 15 109.4 . . 1 . . . . 355 GLY N . 18885 1 428 . 2 1 50 50 ALA H H 1 8.139 . . 1 . . . . 356 ALA HN . 18885 1 429 . 2 1 50 50 ALA C C 13 177.4 . . 1 . . . . 356 ALA C . 18885 1 430 . 2 1 50 50 ALA CA C 13 52.4 . . 1 . . . . 356 ALA CA . 18885 1 431 . 2 1 50 50 ALA CB C 13 24.6 . . 1 . . . . 356 ALA CB . 18885 1 432 . 2 1 50 50 ALA N N 15 123.28 . . 1 . . . . 356 ALA N . 18885 1 433 . 2 1 51 51 ASP H H 1 8.322 . . 1 . . . . 357 ASP HN . 18885 1 434 . 2 1 51 51 ASP C C 13 176.3 . . 1 . . . . 357 ASP C . 18885 1 435 . 2 1 51 51 ASP CA C 13 54.1 . . 1 . . . . 357 ASP CA . 18885 1 436 . 2 1 51 51 ASP CB C 13 41 . . 1 . . . . 357 ASP CB . 18885 1 437 . 2 1 51 51 ASP N N 15 119.06 . . 1 . . . . 357 ASP N . 18885 1 438 . 2 1 52 52 VAL H H 1 7.964 . . 1 . . . . 358 VAL HN . 18885 1 439 . 2 1 52 52 VAL C C 13 176.2 . . 1 . . . . 358 VAL C . 18885 1 440 . 2 1 52 52 VAL CA C 13 62.3 . . 1 . . . . 358 VAL CA . 18885 1 441 . 2 1 52 52 VAL CB C 13 32.6 . . 1 . . . . 358 VAL CB . 18885 1 442 . 2 1 52 52 VAL N N 15 120 . . 1 . . . . 358 VAL N . 18885 1 443 . 2 1 53 53 LYS H H 1 8.346 . . 1 . . . . 359 LYS HN . 18885 1 444 . 2 1 53 53 LYS C C 13 177.1 . . 1 . . . . 359 LYS C . 18885 1 445 . 2 1 53 53 LYS CA C 13 56.2 . . 1 . . . . 359 LYS CA . 18885 1 446 . 2 1 53 53 LYS CB C 13 32.9 . . 1 . . . . 359 LYS CB . 18885 1 447 . 2 1 53 53 LYS N N 15 124.07 . . 1 . . . . 359 LYS N . 18885 1 448 . 2 1 54 54 GLY H H 1 8.322 . . 1 . . . . 360 GLY HN . 18885 1 449 . 2 1 54 54 GLY C C 13 173.9 . . 1 . . . . 360 GLY C . 18885 1 450 . 2 1 54 54 GLY CA C 13 45.1 . . 1 . . . . 360 GLY CA . 18885 1 451 . 2 1 54 54 GLY N N 15 109.47 . . 1 . . . . 360 GLY N . 18885 1 452 . 2 1 55 55 VAL H H 1 8.006 . . 1 . . . . 361 VAL HN . 18885 1 453 . 2 1 55 55 VAL C C 13 176.1 . . 1 . . . . 361 VAL C . 18885 1 454 . 2 1 55 55 VAL CA C 13 62.1 . . 1 . . . . 361 VAL CA . 18885 1 455 . 2 1 55 55 VAL CB C 13 32.8 . . 1 . . . . 361 VAL CB . 18885 1 456 . 2 1 55 55 VAL N N 15 119.06 . . 1 . . . . 361 VAL N . 18885 1 457 . 2 1 56 56 CYS H H 1 8.538 . . 1 . . . . 362 CYS HN . 18885 1 458 . 2 1 56 56 CYS C C 13 175 . . 1 . . . . 362 CYS C . 18885 1 459 . 2 1 56 56 CYS CA C 13 58.4 . . 1 . . . . 362 CYS CA . 18885 1 460 . 2 1 56 56 CYS CB C 13 28.1 . . 1 . . . . 362 CYS CB . 18885 1 461 . 2 1 56 56 CYS N N 15 123.17 . . 1 . . . . 362 CYS N . 18885 1 462 . 2 1 57 57 THR H H 1 8.321 . . 1 . . . . 363 THR HN . 18885 1 463 . 2 1 57 57 THR C C 13 174.7 . . 1 . . . . 363 THR C . 18885 1 464 . 2 1 57 57 THR CA C 13 61.8 . . 1 . . . . 363 THR CA . 18885 1 465 . 2 1 57 57 THR CB C 13 70.3 . . 1 . . . . 363 THR CB . 18885 1 466 . 2 1 57 57 THR N N 15 116.73 . . 1 . . . . 363 THR N . 18885 1 467 . 2 1 58 58 GLU H H 1 8.456 . . 1 . . . . 364 GLU HN . 18885 1 468 . 2 1 58 58 GLU C C 13 176.6 . . 1 . . . . 364 GLU C . 18885 1 469 . 2 1 58 58 GLU CA C 13 56.9 . . 1 . . . . 364 GLU CA . 18885 1 470 . 2 1 58 58 GLU CB C 13 30.1 . . 1 . . . . 364 GLU CB . 18885 1 471 . 2 1 58 58 GLU N N 15 122.81 . . 1 . . . . 364 GLU N . 18885 1 472 . 2 1 59 59 ALA H H 1 8.321 . . 1 . . . . 365 ALA HN . 18885 1 473 . 2 1 59 59 ALA C C 13 178.6 . . 1 . . . . 365 ALA C . 18885 1 474 . 2 1 59 59 ALA CA C 13 53.1 . . 1 . . . . 365 ALA CA . 18885 1 475 . 2 1 59 59 ALA CB C 13 19.1 . . 1 . . . . 365 ALA CB . 18885 1 476 . 2 1 59 59 ALA N N 15 124.04 . . 1 . . . . 365 ALA N . 18885 1 477 . 2 1 60 60 GLY H H 1 8.321 . . 1 . . . . 366 GLY HN . 18885 1 478 . 2 1 60 60 GLY C C 13 174.7 . . 1 . . . . 366 GLY C . 18885 1 479 . 2 1 60 60 GLY CA C 13 45.1 . . 1 . . . . 366 GLY CA . 18885 1 480 . 2 1 60 60 GLY N N 15 107.27 . . 1 . . . . 366 GLY N . 18885 1 481 . 2 1 63 63 ALA H H 1 8.004 . . 1 . . . . 369 ALA HN . 18885 1 482 . 2 1 63 63 ALA C C 13 176.1 . . 1 . . . . 369 ALA C . 18885 1 483 . 2 1 63 63 ALA CA C 13 52.7 . . 1 . . . . 369 ALA CA . 18885 1 484 . 2 1 63 63 ALA N N 15 123.44 . . 1 . . . . 369 ALA N . 18885 1 485 . 2 1 70 70 HIS H H 1 8.071 . . 1 . . . . 376 HIS HN . 18885 1 486 . 2 1 70 70 HIS CA C 13 55.7 . . 1 . . . . 376 HIS CA . 18885 1 487 . 2 1 70 70 HIS N N 15 123.15 . . 1 . . . . 376 HIS N . 18885 1 488 . 2 1 72 72 THR H H 1 8.315 . . 1 . . . . 378 THR HN . 18885 1 489 . 2 1 72 72 THR C C 13 174.5 . . 1 . . . . 378 THR C . 18885 1 490 . 2 1 72 72 THR CA C 13 61.7 . . 1 . . . . 378 THR CA . 18885 1 491 . 2 1 72 72 THR N N 15 117.12 . . 1 . . . . 378 THR N . 18885 1 492 . 2 1 73 73 GLN H H 1 8.494 . . 1 . . . . 379 GLN HN . 18885 1 493 . 2 1 73 73 GLN CA C 13 55.9 . . 1 . . . . 379 GLN CA . 18885 1 494 . 2 1 73 73 GLN N N 15 122.08 . . 1 . . . . 379 GLN N . 18885 1 495 . 2 1 78 78 LEU H H 1 7.993 . . 1 . . . . 384 LEU HN . 18885 1 496 . 2 1 78 78 LEU C C 13 177.4 . . 1 . . . . 384 LEU C . 18885 1 497 . 2 1 78 78 LEU CA C 13 55.4 . . 1 . . . . 384 LEU CA . 18885 1 498 . 2 1 78 78 LEU CB C 13 42.4 . . 1 . . . . 384 LEU CB . 18885 1 499 . 2 1 78 78 LEU N N 15 121.72 . . 1 . . . . 384 LEU N . 18885 1 500 . 2 1 79 79 ALA H H 1 8.056 . . 1 . . . . 385 ALA HN . 18885 1 501 . 2 1 79 79 ALA C C 13 178 . . 1 . . . . 385 ALA C . 18885 1 502 . 2 1 79 79 ALA CA C 13 52.6 . . 1 . . . . 385 ALA CA . 18885 1 503 . 2 1 79 79 ALA CB C 13 19 . . 1 . . . . 385 ALA CB . 18885 1 504 . 2 1 79 79 ALA N N 15 123.75 . . 1 . . . . 385 ALA N . 18885 1 505 . 2 1 80 80 VAL H H 1 7.926 . . 1 . . . . 386 VAL HN . 18885 1 506 . 2 1 80 80 VAL C C 13 176.9 . . 1 . . . . 386 VAL C . 18885 1 507 . 2 1 80 80 VAL CA C 13 62.7 . . 1 . . . . 386 VAL CA . 18885 1 508 . 2 1 80 80 VAL CB C 13 32.6 . . 1 . . . . 386 VAL CB . 18885 1 509 . 2 1 80 80 VAL N N 15 117.87 . . 1 . . . . 386 VAL N . 18885 1 510 . 2 1 81 81 GLY H H 1 8.293 . . 1 . . . . 387 GLY HN . 18885 1 511 . 2 1 81 81 GLY C C 13 174.1 . . 1 . . . . 387 GLY C . 18885 1 512 . 2 1 81 81 GLY CA C 13 45.3 . . 1 . . . . 387 GLY CA . 18885 1 513 . 2 1 81 81 GLY N N 15 111.09 . . 1 . . . . 387 GLY N . 18885 1 514 . 2 1 82 82 LYS H H 1 8.001 . . 1 . . . . 388 LYS HN . 18885 1 515 . 2 1 82 82 LYS C C 13 176.8 . . 1 . . . . 388 LYS C . 18885 1 516 . 2 1 82 82 LYS CA C 13 56.2 . . 1 . . . . 388 LYS CA . 18885 1 517 . 2 1 82 82 LYS N N 15 120.42 . . 1 . . . . 388 LYS N . 18885 1 518 . 2 1 83 83 VAL H H 1 8.063 . . 1 . . . . 389 VAL HN . 18885 1 519 . 2 1 83 83 VAL CA C 13 63.4 . . 1 . . . . 389 VAL CA . 18885 1 520 . 2 1 83 83 VAL N N 15 121.69 . . 1 . . . . 389 VAL N . 18885 1 521 . 2 1 84 84 MET H H 1 8.335 . . 1 . . . . 390 MET HN . 18885 1 522 . 2 1 84 84 MET CA C 13 56.4 . . 1 . . . . 390 MET CA . 18885 1 523 . 2 1 84 84 MET N N 15 116.25 . . 1 . . . . 390 MET N . 18885 1 stop_ save_