data_15539 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15539 _Entry.Title ; Backbone 1H, 13C, and 15N NMR assignments for the Cyanothece 51142 protein A1KYE3 - a protein in the DUF683 family associated with nitrogen fixation. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-28 _Entry.Accession_date 2007-10-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 15539 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Pacific Northwest National Laboratory' . 15539 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15539 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 15539 '15N chemical shifts' 75 15539 '1H chemical shifts' 150 15539 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 3 . . 2009-08-21 2007-10-28 update BMRB 'add PubMed ID' 15539 2 . . 2008-06-05 2007-10-28 update BMRB 'complete entry citation' 15539 1 . . 2008-01-17 2007-10-28 original author 'original release' 15539 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15539 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636916 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C, and 15N NMR assignments for the Cyanothece 51142 protein cce_0567: a protein associated with nitrogen fixation in the DUF683 family' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 25 _Citation.Page_last 28 _Citation.Year 2008 _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 Garry Buchko . W. . 15539 1 2 Heidi Sofia . J. . 15539 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'circadian rhythms' 15539 1 cyanobacteria 15539 1 'nitrogen fixation' 15539 1 perdeuteration 15539 1 'residue-specific labels' 15539 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15539 _Assembly.ID 1 _Assembly.Name 'DUF683 tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9300 _Assembly.Enzyme_commission_number . _Assembly.Details 'The protein appears to be a homo-tetramer in solution.' _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 'Polypeptide 1' 1 $DUF683_containing_polypeptide A . yes native no no 1 . . 15539 1 2 'Polypeptide 2' 1 $DUF683_containing_polypeptide A . yes native no no 1 . . 15539 1 3 'Polypeptide 3' 1 $DUF683_containing_polypeptide A . yes native no no 1 . . 15539 1 4 'Polypeptide 4' 1 $DUF683_containing_polypeptide A . yes native no no 1 . . 15539 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 15539 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DUF683_containing_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode DUF683_containing_polypeptide _Entity.Entry_ID 15539 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DUF683_containing_polypeptide _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 ; GSHMTVATDNNPTPEAVADL KKKVRKLNSKAGQMKMDLHD LAEGLPTDYENLVETAEKTY EIFRELDQLKKKLNIWEETL K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering starts at first Met.' _Entity.Polymer_author_seq_details 'Residues 1-3 remain after cleavage with thrombin. Fourth residue is M1.' _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 37000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '37 kDa is the approximate mass of the tetramer.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3CSX . "Structural Characterization Of A Protein In The Duf683 Family- Crystal Structure Of Cce_0567 From The Cyanobacterium Cyanothece" . . . . . 100.00 81 100.00 100.00 1.34e-50 . . . . 15539 1 2 no GB AAW56996 . "conserved hypothetical protein [Cyanothece sp. ATCC 51142]" . . . . . 96.30 78 100.00 100.00 1.40e-47 . . . . 15539 1 3 no GB ACB49918 . "DUF683-containing protein [Cyanothece sp. ATCC 51142]" . . . . . 96.30 78 100.00 100.00 1.40e-47 . . . . 15539 1 4 no REF WP_009546647 . "MULTISPECIES: hypothetical protein [Cyanothece]" . . . . . 96.30 78 100.00 100.00 1.40e-47 . . . . 15539 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID DUF683 15539 1 unknown 15539 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 -2 GLY . 15539 1 2 -1 SER . 15539 1 3 0 HIS . 15539 1 4 1 MET . 15539 1 5 2 THR . 15539 1 6 3 VAL . 15539 1 7 4 ALA . 15539 1 8 5 THR . 15539 1 9 6 ASP . 15539 1 10 7 ASN . 15539 1 11 8 ASN . 15539 1 12 9 PRO . 15539 1 13 10 THR . 15539 1 14 11 PRO . 15539 1 15 12 GLU . 15539 1 16 13 ALA . 15539 1 17 14 VAL . 15539 1 18 15 ALA . 15539 1 19 16 ASP . 15539 1 20 17 LEU . 15539 1 21 18 LYS . 15539 1 22 19 LYS . 15539 1 23 20 LYS . 15539 1 24 21 VAL . 15539 1 25 22 ARG . 15539 1 26 23 LYS . 15539 1 27 24 LEU . 15539 1 28 25 ASN . 15539 1 29 26 SER . 15539 1 30 27 LYS . 15539 1 31 28 ALA . 15539 1 32 29 GLY . 15539 1 33 30 GLN . 15539 1 34 31 MET . 15539 1 35 32 LYS . 15539 1 36 33 MET . 15539 1 37 34 ASP . 15539 1 38 35 LEU . 15539 1 39 36 HIS . 15539 1 40 37 ASP . 15539 1 41 38 LEU . 15539 1 42 39 ALA . 15539 1 43 40 GLU . 15539 1 44 41 GLY . 15539 1 45 42 LEU . 15539 1 46 43 PRO . 15539 1 47 44 THR . 15539 1 48 45 ASP . 15539 1 49 46 TYR . 15539 1 50 47 GLU . 15539 1 51 48 ASN . 15539 1 52 49 LEU . 15539 1 53 50 VAL . 15539 1 54 51 GLU . 15539 1 55 52 THR . 15539 1 56 53 ALA . 15539 1 57 54 GLU . 15539 1 58 55 LYS . 15539 1 59 56 THR . 15539 1 60 57 TYR . 15539 1 61 58 GLU . 15539 1 62 59 ILE . 15539 1 63 60 PHE . 15539 1 64 61 ARG . 15539 1 65 62 GLU . 15539 1 66 63 LEU . 15539 1 67 64 ASP . 15539 1 68 65 GLN . 15539 1 69 66 LEU . 15539 1 70 67 LYS . 15539 1 71 68 LYS . 15539 1 72 69 LYS . 15539 1 73 70 LEU . 15539 1 74 71 ASN . 15539 1 75 72 ILE . 15539 1 76 73 TRP . 15539 1 77 74 GLU . 15539 1 78 75 GLU . 15539 1 79 76 THR . 15539 1 80 77 LEU . 15539 1 81 78 LYS . 15539 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 15539 1 . SER 2 2 15539 1 . HIS 3 3 15539 1 . MET 4 4 15539 1 . THR 5 5 15539 1 . VAL 6 6 15539 1 . ALA 7 7 15539 1 . THR 8 8 15539 1 . ASP 9 9 15539 1 . ASN 10 10 15539 1 . ASN 11 11 15539 1 . PRO 12 12 15539 1 . THR 13 13 15539 1 . PRO 14 14 15539 1 . GLU 15 15 15539 1 . ALA 16 16 15539 1 . VAL 17 17 15539 1 . ALA 18 18 15539 1 . ASP 19 19 15539 1 . LEU 20 20 15539 1 . LYS 21 21 15539 1 . LYS 22 22 15539 1 . LYS 23 23 15539 1 . VAL 24 24 15539 1 . ARG 25 25 15539 1 . LYS 26 26 15539 1 . LEU 27 27 15539 1 . ASN 28 28 15539 1 . SER 29 29 15539 1 . LYS 30 30 15539 1 . ALA 31 31 15539 1 . GLY 32 32 15539 1 . GLN 33 33 15539 1 . MET 34 34 15539 1 . LYS 35 35 15539 1 . MET 36 36 15539 1 . ASP 37 37 15539 1 . LEU 38 38 15539 1 . HIS 39 39 15539 1 . ASP 40 40 15539 1 . LEU 41 41 15539 1 . ALA 42 42 15539 1 . GLU 43 43 15539 1 . GLY 44 44 15539 1 . LEU 45 45 15539 1 . PRO 46 46 15539 1 . THR 47 47 15539 1 . ASP 48 48 15539 1 . TYR 49 49 15539 1 . GLU 50 50 15539 1 . ASN 51 51 15539 1 . LEU 52 52 15539 1 . VAL 53 53 15539 1 . GLU 54 54 15539 1 . THR 55 55 15539 1 . ALA 56 56 15539 1 . GLU 57 57 15539 1 . LYS 58 58 15539 1 . THR 59 59 15539 1 . TYR 60 60 15539 1 . GLU 61 61 15539 1 . ILE 62 62 15539 1 . PHE 63 63 15539 1 . ARG 64 64 15539 1 . GLU 65 65 15539 1 . LEU 66 66 15539 1 . ASP 67 67 15539 1 . GLN 68 68 15539 1 . LEU 69 69 15539 1 . LYS 70 70 15539 1 . LYS 71 71 15539 1 . LYS 72 72 15539 1 . LEU 73 73 15539 1 . ASN 74 74 15539 1 . ILE 75 75 15539 1 . TRP 76 76 15539 1 . GLU 77 77 15539 1 . GLU 78 78 15539 1 . THR 79 79 15539 1 . LEU 80 80 15539 1 . LYS 81 81 15539 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 15539 _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 $DUF683_containing_polypeptide . 43989 organism . 'Cyanothece 51142' 'Cyanothece 51142' . . Eubacteria . Cyanothece 'Cyanothece sp. ATCC 51142' . . . . . . . . . . . . . . . . . . . . . 15539 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 15539 _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 $DUF683_containing_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 15539 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15539 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'more than one sample was made, but, the concentration of the protein was always similar (~1 mM)' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 1 4 'DUF683 containing polypeptide' '[U-100% 13C; U-100% 15N]' . . 1 $DUF683_containing_polypeptide . . 1 . . mM 0.2 . . . 15539 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15539 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'more than one sample was made, but, the concentration of the protein was always similar (~1 mM)' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 2 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 2 4 'DUF683 containing polypeptide' '[U-100% 13C; U-100% 15N; 90% 2H]' . . 1 $DUF683_containing_polypeptide . . 1 . . mM 0.2 . . . 15539 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15539 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 3 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 3 4 'DUF683 containing polypeptide' [U-15N]-His . . 1 $DUF683_containing_polypeptide . . 0.1 . . mM 0.2 . . . 15539 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15539 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 4 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 4 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 4 4 'DUF683 containing polypeptide' [U-15N]-Leu . . 1 $DUF683_containing_polypeptide . . 0.1 . . mM 0.2 . . . 15539 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15539 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 5 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 5 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 5 4 'DUF683 containing polypeptide' [U-15N]-Lys . . 1 $DUF683_containing_polypeptide . . 0.1 . . mM 0.2 . . . 15539 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15539 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 6 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 6 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 6 4 'DUF683 containing polypeptide' [U-15N]-Glu . . 1 $DUF683_containing_polypeptide . . 0.1 . . mM 0.2 . . . 15539 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 15539 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 2 . . . 15539 7 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15539 7 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15539 7 4 'DUF683 containing polypeptide' [U-15N]-Val . . 1 $DUF683_containing_polypeptide . . 0.1 . . mM 0.2 . . . 15539 7 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 15539 _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' 521 3 mM 15539 1 pH 7.2 0.1 pH 15539 1 pressure 1 . atm 15539 1 temperature 298 0.5 K 15539 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15539 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15539 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15539 1 'peak picking' 15539 1 processing 15539 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 15539 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15539 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15539 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15539 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _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 15539 _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 . 600 . . . 15539 1 2 spectrometer_2 Varian UnityPlus . 500 . . . 15539 1 3 spectrometer_3 Varian INOVA . 750 . . . 15539 1 4 spectrometer_4 Varian INOVA . 800 . . . 15539 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 15539 _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 C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15539 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 15539 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Method of Wishart et al., 1995. Indirect methods. ; 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 . indirect 0.251449530 . . . . . . . . . 15539 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15539 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15539 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15539 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 C(CO)NH' . . . 15539 1 2 '3D HNCO' . . . 15539 1 4 '3D HNCACB' . . . 15539 1 7 '3D HN(COCA)CB' . . . 15539 1 9 '3D 1H-15N TOCSY' . . . 15539 1 11 '2D 1H-15N HSQC' . . . 15539 1 12 '2D 1H-15N HSQC' . . . 15539 1 13 '2D 1H-15N HSQC' . . . 15539 1 14 '2D 1H-15N HSQC' . . . 15539 1 15 '2D 1H-15N HSQC' . . . 15539 1 16 '2D 1H-15N HSQC' . . . 15539 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 $Felix . . 15539 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 4 4 MET C C 13 176.2 0.2 . 1 . . . . 1 MET C . 15539 1 2 . 1 1 4 4 MET CA C 13 55.3 0.2 . 1 . . . . 1 MET CA . 15539 1 3 . 1 1 4 4 MET CB C 13 32.2 0.2 . 1 . . . . 1 MET CB . 15539 1 4 . 1 1 5 5 THR H H 1 8.24 0.02 . 1 . . . . 2 THR H . 15539 1 5 . 1 1 5 5 THR HA H 1 4.42 0.02 . 1 . . . . 2 THR HA . 15539 1 6 . 1 1 5 5 THR C C 13 174.5 0.2 . 1 . . . . 2 THR C . 15539 1 7 . 1 1 5 5 THR CA C 13 61.9 0.2 . 1 . . . . 2 THR CA . 15539 1 8 . 1 1 5 5 THR CB C 13 69.8 0.2 . 1 . . . . 2 THR CB . 15539 1 9 . 1 1 5 5 THR N N 15 117.0 0.2 . 1 . . . . 2 THR N . 15539 1 10 . 1 1 6 6 VAL H H 1 8.14 0.02 . 1 . . . . 3 VAL H . 15539 1 11 . 1 1 6 6 VAL HA H 1 4.19 0.02 . 1 . . . . 3 VAL HA . 15539 1 12 . 1 1 6 6 VAL HB H 1 2.13 0.02 . 1 . . . . 3 VAL HB . 15539 1 13 . 1 1 6 6 VAL HG11 H 1 1.00 0.02 . 2 . . . . 3 VAL HG1 . 15539 1 14 . 1 1 6 6 VAL HG12 H 1 1.00 0.02 . 2 . . . . 3 VAL HG1 . 15539 1 15 . 1 1 6 6 VAL HG13 H 1 1.00 0.02 . 2 . . . . 3 VAL HG1 . 15539 1 16 . 1 1 6 6 VAL HG21 H 1 1.00 0.02 . 2 . . . . 3 VAL HG2 . 15539 1 17 . 1 1 6 6 VAL HG22 H 1 1.00 0.02 . 2 . . . . 3 VAL HG2 . 15539 1 18 . 1 1 6 6 VAL HG23 H 1 1.00 0.02 . 2 . . . . 3 VAL HG2 . 15539 1 19 . 1 1 6 6 VAL C C 13 175.9 0.2 . 1 . . . . 3 VAL C . 15539 1 20 . 1 1 6 6 VAL CA C 13 61.6 0.2 . 1 . . . . 3 VAL CA . 15539 1 21 . 1 1 6 6 VAL CB C 13 32.2 0.2 . 1 . . . . 3 VAL CB . 15539 1 22 . 1 1 6 6 VAL CG1 C 13 20.5 0.2 . 2 . . . . 3 VAL CG1 . 15539 1 23 . 1 1 6 6 VAL CG2 C 13 20.5 0.2 . 2 . . . . 3 VAL CG2 . 15539 1 24 . 1 1 6 6 VAL N N 15 122.9 0.2 . 1 . . . . 3 VAL N . 15539 1 25 . 1 1 7 7 ALA H H 1 8.46 0.02 . 1 . . . . 4 ALA H . 15539 1 26 . 1 1 7 7 ALA HA H 1 4.46 0.02 . 1 . . . . 4 ALA HA . 15539 1 27 . 1 1 7 7 ALA HB1 H 1 1.48 0.02 . 1 . . . . 4 ALA HB . 15539 1 28 . 1 1 7 7 ALA HB2 H 1 1.48 0.02 . 1 . . . . 4 ALA HB . 15539 1 29 . 1 1 7 7 ALA HB3 H 1 1.48 0.02 . 1 . . . . 4 ALA HB . 15539 1 30 . 1 1 7 7 ALA C C 13 177.9 0.2 . 1 . . . . 4 ALA C . 15539 1 31 . 1 1 7 7 ALA CA C 13 52.5 0.2 . 1 . . . . 4 ALA CA . 15539 1 32 . 1 1 7 7 ALA CB C 13 19.1 0.2 . 1 . . . . 4 ALA CB . 15539 1 33 . 1 1 7 7 ALA N N 15 128.2 0.2 . 1 . . . . 4 ALA N . 15539 1 34 . 1 1 8 8 THR H H 1 8.13 0.02 . 1 . . . . 5 THR H . 15539 1 35 . 1 1 8 8 THR HA H 1 4.39 0.02 . 1 . . . . 5 THR HA . 15539 1 36 . 1 1 8 8 THR C C 13 174.6 0.2 . 1 . . . . 5 THR C . 15539 1 37 . 1 1 8 8 THR CA C 13 61.4 0.2 . 1 . . . . 5 THR CA . 15539 1 38 . 1 1 8 8 THR CB C 13 69.8 0.2 . 1 . . . . 5 THR CB . 15539 1 39 . 1 1 8 8 THR CG2 C 13 21.0 0.2 . 1 . . . . 5 THR CG2 . 15539 1 40 . 1 1 8 8 THR N N 15 113.1 0.2 . 1 . . . . 5 THR N . 15539 1 41 . 1 1 9 9 ASP H H 1 8.34 0.02 . 1 . . . . 6 ASP H . 15539 1 42 . 1 1 9 9 ASP HA H 1 4.69 0.02 . 1 . . . . 6 ASP HA . 15539 1 43 . 1 1 9 9 ASP HB2 H 1 2.75 0.02 . 2 . . . . 6 ASP HB2 . 15539 1 44 . 1 1 9 9 ASP HB3 H 1 2.75 0.02 . 2 . . . . 6 ASP HB3 . 15539 1 45 . 1 1 9 9 ASP C C 13 174.5 0.2 . 1 . . . . 6 ASP C . 15539 1 46 . 1 1 9 9 ASP CA C 13 54.4 0.2 . 1 . . . . 6 ASP CA . 15539 1 47 . 1 1 9 9 ASP CB C 13 41.0 0.2 . 1 . . . . 6 ASP CB . 15539 1 48 . 1 1 9 9 ASP N N 15 122.2 0.2 . 1 . . . . 6 ASP N . 15539 1 49 . 1 1 10 10 ASN H H 1 8.32 0.02 . 1 . . . . 7 ASN H . 15539 1 50 . 1 1 10 10 ASN HA H 1 5.09 0.02 . 1 . . . . 7 ASN HA . 15539 1 51 . 1 1 10 10 ASN HB2 H 1 2.91 0.02 . 2 . . . . 7 ASN HB2 . 15539 1 52 . 1 1 10 10 ASN HB3 H 1 2.75 0.02 . 2 . . . . 7 ASN HB3 . 15539 1 53 . 1 1 10 10 ASN C C 13 174.5 0.2 . 1 . . . . 7 ASN C . 15539 1 54 . 1 1 10 10 ASN CA C 13 52.7 0.2 . 1 . . . . 7 ASN CA . 15539 1 55 . 1 1 10 10 ASN CB C 13 38.5 0.2 . 1 . . . . 7 ASN CB . 15539 1 56 . 1 1 10 10 ASN N N 15 118.4 0.2 . 1 . . . . 7 ASN N . 15539 1 57 . 1 1 11 11 ASN H H 1 8.24 0.02 . 1 . . . . 8 ASN H . 15539 1 58 . 1 1 11 11 ASN HA H 1 4.62 0.02 . 1 . . . . 8 ASN HA . 15539 1 59 . 1 1 11 11 ASN HB2 H 1 2.72 0.02 . 2 . . . . 8 ASN HB2 . 15539 1 60 . 1 1 11 11 ASN HB3 H 1 2.64 0.02 . 2 . . . . 8 ASN HB3 . 15539 1 61 . 1 1 11 11 ASN CA C 13 51.1 0.2 . 1 . . . . 8 ASN CA . 15539 1 62 . 1 1 11 11 ASN CB C 13 38.5 0.2 . 1 . . . . 8 ASN CB . 15539 1 63 . 1 1 11 11 ASN N N 15 119.5 0.2 . 1 . . . . 8 ASN N . 15539 1 64 . 1 1 12 12 PRO C C 13 176.2 0.2 . 1 . . . . 9 PRO C . 15539 1 65 . 1 1 12 12 PRO CA C 13 62.1 0.2 . 1 . . . . 9 PRO CA . 15539 1 66 . 1 1 12 12 PRO CB C 13 30.4 0.2 . 1 . . . . 9 PRO CB . 15539 1 67 . 1 1 12 12 PRO CG C 13 26.0 0.2 . 1 . . . . 9 PRO CG . 15539 1 68 . 1 1 13 13 THR H H 1 7.25 0.02 . 1 . . . . 10 THR H . 15539 1 69 . 1 1 13 13 THR HA H 1 4.60 0.02 . 1 . . . . 10 THR HA . 15539 1 70 . 1 1 13 13 THR HB H 1 4.69 0.02 . 1 . . . . 10 THR HB . 15539 1 71 . 1 1 13 13 THR HG21 H 1 1.32 0.02 . 1 . . . . 10 THR HG2 . 15539 1 72 . 1 1 13 13 THR HG22 H 1 1.32 0.02 . 1 . . . . 10 THR HG2 . 15539 1 73 . 1 1 13 13 THR HG23 H 1 1.32 0.02 . 1 . . . . 10 THR HG2 . 15539 1 74 . 1 1 13 13 THR CA C 13 58.8 0.2 . 1 . . . . 10 THR CA . 15539 1 75 . 1 1 13 13 THR CB C 13 68.5 0.2 . 1 . . . . 10 THR CB . 15539 1 76 . 1 1 13 13 THR CG2 C 13 22.2 0.2 . 1 . . . . 10 THR CG2 . 15539 1 77 . 1 1 13 13 THR N N 15 111.5 0.2 . 1 . . . . 10 THR N . 15539 1 78 . 1 1 14 14 PRO C C 13 179.8 0.2 . 1 . . . . 11 PRO C . 15539 1 79 . 1 1 14 14 PRO CA C 13 65.1 0.2 . 1 . . . . 11 PRO CA . 15539 1 80 . 1 1 14 14 PRO CB C 13 31.0 0.2 . 1 . . . . 11 PRO CB . 15539 1 81 . 1 1 15 15 GLU H H 1 8.83 0.02 . 1 . . . . 12 GLU H . 15539 1 82 . 1 1 15 15 GLU HA H 1 4.10 0.02 . 1 . . . . 12 GLU HA . 15539 1 83 . 1 1 15 15 GLU C C 13 181.7 0.2 . 1 . . . . 12 GLU C . 15539 1 84 . 1 1 15 15 GLU CA C 13 59.8 0.2 . 1 . . . . 12 GLU CA . 15539 1 85 . 1 1 15 15 GLU CB C 13 27.9 0.2 . 1 . . . . 12 GLU CB . 15539 1 86 . 1 1 15 15 GLU CG C 13 36.6 0.2 . 1 . . . . 12 GLU CG . 15539 1 87 . 1 1 15 15 GLU N N 15 118.9 0.2 . 1 . . . . 12 GLU N . 15539 1 88 . 1 1 16 16 ALA H H 1 7.99 0.02 . 1 . . . . 13 ALA H . 15539 1 89 . 1 1 16 16 ALA HA H 1 4.32 0.02 . 1 . . . . 13 ALA HA . 15539 1 90 . 1 1 16 16 ALA HB1 H 1 1.54 0.02 . 1 . . . . 13 ALA HB . 15539 1 91 . 1 1 16 16 ALA HB2 H 1 1.54 0.02 . 1 . . . . 13 ALA HB . 15539 1 92 . 1 1 16 16 ALA HB3 H 1 1.54 0.02 . 1 . . . . 13 ALA HB . 15539 1 93 . 1 1 16 16 ALA C C 13 177.3 0.2 . 1 . . . . 13 ALA C . 15539 1 94 . 1 1 16 16 ALA CA C 13 54.6 0.2 . 1 . . . . 13 ALA CA . 15539 1 95 . 1 1 16 16 ALA CB C 13 17.9 0.2 . 1 . . . . 13 ALA CB . 15539 1 96 . 1 1 16 16 ALA N N 15 124.2 0.2 . 1 . . . . 13 ALA N . 15539 1 97 . 1 1 17 17 VAL H H 1 8.13 0.02 . 1 . . . . 14 VAL H . 15539 1 98 . 1 1 17 17 VAL HA H 1 4.50 0.02 . 1 . . . . 14 VAL HA . 15539 1 99 . 1 1 17 17 VAL C C 13 179.0 0.2 . 1 . . . . 14 VAL C . 15539 1 100 . 1 1 17 17 VAL CA C 13 66.8 0.2 . 1 . . . . 14 VAL CA . 15539 1 101 . 1 1 17 17 VAL CB C 13 31.0 0.2 . 1 . . . . 14 VAL CB . 15539 1 102 . 1 1 17 17 VAL N N 15 120.1 0.2 . 1 . . . . 14 VAL N . 15539 1 103 . 1 1 18 18 ALA H H 1 8.12 0.02 . 1 . . . . 15 ALA H . 15539 1 104 . 1 1 18 18 ALA HA H 1 4.66 0.02 . 1 . . . . 15 ALA HA . 15539 1 105 . 1 1 18 18 ALA HB1 H 1 1.66 0.02 . 1 . . . . 15 ALA HB . 15539 1 106 . 1 1 18 18 ALA HB2 H 1 1.66 0.02 . 1 . . . . 15 ALA HB . 15539 1 107 . 1 1 18 18 ALA HB3 H 1 1.66 0.02 . 1 . . . . 15 ALA HB . 15539 1 108 . 1 1 18 18 ALA C C 13 181.0 0.2 . 1 . . . . 15 ALA C . 15539 1 109 . 1 1 18 18 ALA CA C 13 55.1 0.2 . 1 . . . . 15 ALA CA . 15539 1 110 . 1 1 18 18 ALA CB C 13 17.2 0.2 . 1 . . . . 15 ALA CB . 15539 1 111 . 1 1 18 18 ALA N N 15 122.4 0.2 . 1 . . . . 15 ALA N . 15539 1 112 . 1 1 19 19 ASP H H 1 8.24 0.02 . 1 . . . . 16 ASP H . 15539 1 113 . 1 1 19 19 ASP HA H 1 4.50 0.02 . 1 . . . . 16 ASP HA . 15539 1 114 . 1 1 19 19 ASP HB2 H 1 2.91 0.02 . 1 . . . . 16 ASP HB2 . 15539 1 115 . 1 1 19 19 ASP HB3 H 1 2.77 0.02 . 1 . . . . 16 ASP HB3 . 15539 1 116 . 1 1 19 19 ASP C C 13 178.7 0.2 . 1 . . . . 16 ASP C . 15539 1 117 . 1 1 19 19 ASP CA C 13 57.2 0.2 . 1 . . . . 16 ASP CA . 15539 1 118 . 1 1 19 19 ASP CB C 13 41.0 0.2 . 1 . . . . 16 ASP CB . 15539 1 119 . 1 1 19 19 ASP N N 15 119.1 0.2 . 1 . . . . 16 ASP N . 15539 1 120 . 1 1 20 20 LEU H H 1 8.15 0.02 . 1 . . . . 17 LEU H . 15539 1 121 . 1 1 20 20 LEU C C 13 178.7 0.2 . 1 . . . . 17 LEU C . 15539 1 122 . 1 1 20 20 LEU CA C 13 57.6 0.2 . 1 . . . . 17 LEU CA . 15539 1 123 . 1 1 20 20 LEU CB C 13 46.0 0.2 . 1 . . . . 17 LEU CB . 15539 1 124 . 1 1 20 20 LEU N N 15 123.1 0.2 . 1 . . . . 17 LEU N . 15539 1 125 . 1 1 21 21 LYS H H 1 8.72 0.02 . 1 . . . . 18 LYS H . 15539 1 126 . 1 1 21 21 LYS C C 13 179.6 0.2 . 1 . . . . 18 LYS C . 15539 1 127 . 1 1 21 21 LYS CA C 13 60.5 0.2 . 1 . . . . 18 LYS CA . 15539 1 128 . 1 1 21 21 LYS CB C 13 31.6 0.2 . 1 . . . . 18 LYS CB . 15539 1 129 . 1 1 21 21 LYS N N 15 119.5 0.2 . 1 . . . . 18 LYS N . 15539 1 130 . 1 1 22 22 LYS H H 1 7.74 0.02 . 1 . . . . 19 LYS H . 15539 1 131 . 1 1 22 22 LYS C C 13 179.5 0.2 . 1 . . . . 19 LYS C . 15539 1 132 . 1 1 22 22 LYS CA C 13 59.8 0.2 . 1 . . . . 19 LYS CA . 15539 1 133 . 1 1 22 22 LYS CB C 13 31.6 0.2 . 1 . . . . 19 LYS CB . 15539 1 134 . 1 1 22 22 LYS N N 15 119.5 0.2 . 1 . . . . 19 LYS N . 15539 1 135 . 1 1 23 23 LYS H H 1 7.98 0.02 . 1 . . . . 20 LYS H . 15539 1 136 . 1 1 23 23 LYS HA H 1 4.07 0.02 . 1 . . . . 20 LYS HA . 15539 1 137 . 1 1 23 23 LYS HE2 H 1 3.02 0.02 . 2 . . . . 20 LYS HE2 . 15539 1 138 . 1 1 23 23 LYS HE3 H 1 3.02 0.02 . 2 . . . . 20 LYS HE3 . 15539 1 139 . 1 1 23 23 LYS C C 13 179.5 0.2 . 1 . . . . 20 LYS C . 15539 1 140 . 1 1 23 23 LYS CA C 13 59.5 0.2 . 1 . . . . 20 LYS CA . 15539 1 141 . 1 1 23 23 LYS CB C 13 32.2 0.2 . 1 . . . . 20 LYS CB . 15539 1 142 . 1 1 23 23 LYS N N 15 121.7 0.2 . 1 . . . . 20 LYS N . 15539 1 143 . 1 1 24 24 VAL H H 1 8.71 0.02 . 1 . . . . 21 VAL H . 15539 1 144 . 1 1 24 24 VAL C C 13 177.3 0.2 . 1 . . . . 21 VAL C . 15539 1 145 . 1 1 24 24 VAL CA C 13 66.8 0.2 . 1 . . . . 21 VAL CA . 15539 1 146 . 1 1 24 24 VAL CB C 13 31.0 0.2 . 1 . . . . 21 VAL CB . 15539 1 147 . 1 1 24 24 VAL N N 15 120.2 0.2 . 1 . . . . 21 VAL N . 15539 1 148 . 1 1 25 25 ARG H H 1 7.96 0.02 . 1 . . . . 22 ARG H . 15539 1 149 . 1 1 25 25 ARG C C 13 179.8 0.2 . 1 . . . . 22 ARG C . 15539 1 150 . 1 1 25 25 ARG CA C 13 59.8 0.2 . 1 . . . . 22 ARG CA . 15539 1 151 . 1 1 25 25 ARG CB C 13 29.1 0.2 . 1 . . . . 22 ARG CB . 15539 1 152 . 1 1 25 25 ARG N N 15 120.1 0.2 . 1 . . . . 22 ARG N . 15539 1 153 . 1 1 26 26 LYS C C 13 179.8 0.2 . 1 . . . . 23 LYS C . 15539 1 154 . 1 1 26 26 LYS CA C 13 59.0 0.2 . 1 . . . . 23 LYS CA . 15539 1 155 . 1 1 26 26 LYS CB C 13 31.6 0.2 . 1 . . . . 23 LYS CB . 15539 1 156 . 1 1 26 26 LYS N N 15 119.9 0.2 . 1 . . . . 23 LYS N . 15539 1 157 . 1 1 27 27 LEU H H 1 8.46 0.02 . 1 . . . . 24 LEU H . 15539 1 158 . 1 1 27 27 LEU C C 13 178.7 0.2 . 1 . . . . 24 LEU C . 15539 1 159 . 1 1 27 27 LEU CA C 13 57.2 0.2 . 1 . . . . 24 LEU CA . 15539 1 160 . 1 1 27 27 LEU CB C 13 41.6 0.2 . 1 . . . . 24 LEU CB . 15539 1 161 . 1 1 27 27 LEU CD1 C 13 24.1 0.2 . 2 . . . . 24 LEU CD1 . 15539 1 162 . 1 1 27 27 LEU CD2 C 13 24.1 0.2 . 2 . . . . 24 LEU CD2 . 15539 1 163 . 1 1 27 27 LEU N N 15 121.9 0.2 . 1 . . . . 24 LEU N . 15539 1 164 . 1 1 28 28 ASN H H 1 9.03 0.02 . 1 . . . . 25 ASN H . 15539 1 165 . 1 1 28 28 ASN CA C 13 56.5 0.2 . 1 . . . . 25 ASN CA . 15539 1 166 . 1 1 28 28 ASN CB C 13 38.5 0.2 . 1 . . . . 25 ASN CB . 15539 1 167 . 1 1 28 28 ASN N N 15 119.1 0.2 . 1 . . . . 25 ASN N . 15539 1 168 . 1 1 29 29 SER H H 1 7.73 0.02 . 1 . . . . 26 SER H . 15539 1 169 . 1 1 29 29 SER C C 13 177.3 0.2 . 1 . . . . 26 SER C . 15539 1 170 . 1 1 29 29 SER CA C 13 61.4 0.2 . 1 . . . . 26 SER CA . 15539 1 171 . 1 1 29 29 SER CB C 13 62.3 0.2 . 1 . . . . 26 SER CB . 15539 1 172 . 1 1 29 29 SER N N 15 115.7 0.2 . 1 . . . . 26 SER N . 15539 1 173 . 1 1 30 30 LYS H H 1 7.72 0.02 . 1 . . . . 27 LYS H . 15539 1 174 . 1 1 30 30 LYS C C 13 178.7 0.2 . 1 . . . . 27 LYS C . 15539 1 175 . 1 1 30 30 LYS CA C 13 58.6 0.2 . 1 . . . . 27 LYS CA . 15539 1 176 . 1 1 30 30 LYS CB C 13 31.6 0.2 . 1 . . . . 27 LYS CB . 15539 1 177 . 1 1 30 30 LYS N N 15 124.0 0.2 . 1 . . . . 27 LYS N . 15539 1 178 . 1 1 31 31 ALA H H 1 8.97 0.02 . 1 . . . . 28 ALA H . 15539 1 179 . 1 1 31 31 ALA C C 13 179.2 0.2 . 1 . . . . 28 ALA C . 15539 1 180 . 1 1 31 31 ALA CA C 13 55.1 0.2 . 1 . . . . 28 ALA CA . 15539 1 181 . 1 1 31 31 ALA CB C 13 16.6 0.2 . 1 . . . . 28 ALA CB . 15539 1 182 . 1 1 31 31 ALA N N 15 123.2 0.2 . 1 . . . . 28 ALA N . 15539 1 183 . 1 1 32 32 GLY H H 1 7.92 0.02 . 1 . . . . 29 GLY H . 15539 1 184 . 1 1 32 32 GLY C C 13 176.8 0.2 . 1 . . . . 29 GLY C . 15539 1 185 . 1 1 32 32 GLY CA C 13 47.3 0.2 . 1 . . . . 29 GLY CA . 15539 1 186 . 1 1 32 32 GLY N N 15 104.2 0.2 . 1 . . . . 29 GLY N . 15539 1 187 . 1 1 33 33 GLN H H 1 7.60 0.02 . 1 . . . . 30 GLN H . 15539 1 188 . 1 1 33 33 GLN C C 13 178.2 0.2 . 1 . . . . 30 GLN C . 15539 1 189 . 1 1 33 33 GLN CA C 13 58.8 0.2 . 1 . . . . 30 GLN CA . 15539 1 190 . 1 1 33 33 GLN CB C 13 27.9 0.2 . 1 . . . . 30 GLN CB . 15539 1 191 . 1 1 33 33 GLN N N 15 122.2 0.2 . 1 . . . . 30 GLN N . 15539 1 192 . 1 1 34 34 MET H H 1 8.37 0.02 . 1 . . . . 31 MET H . 15539 1 193 . 1 1 34 34 MET C C 13 179.0 0.2 . 1 . . . . 31 MET C . 15539 1 194 . 1 1 34 34 MET CA C 13 57.6 0.2 . 1 . . . . 31 MET CA . 15539 1 195 . 1 1 34 34 MET CB C 13 31.0 0.2 . 1 . . . . 31 MET CB . 15539 1 196 . 1 1 34 34 MET N N 15 119.0 0.2 . 1 . . . . 31 MET N . 15539 1 197 . 1 1 35 35 LYS H H 1 8.75 0.02 . 1 . . . . 32 LYS H . 15539 1 198 . 1 1 35 35 LYS C C 13 177.9 0.2 . 1 . . . . 32 LYS C . 15539 1 199 . 1 1 35 35 LYS CA C 13 60.0 0.2 . 1 . . . . 32 LYS CA . 15539 1 200 . 1 1 35 35 LYS CB C 13 31.6 0.2 . 1 . . . . 32 LYS CB . 15539 1 201 . 1 1 35 35 LYS N N 15 120.4 0.2 . 1 . . . . 32 LYS N . 15539 1 202 . 1 1 36 36 MET H H 1 7.51 0.02 . 1 . . . . 33 MET H . 15539 1 203 . 1 1 36 36 MET C C 13 178.4 0.2 . 1 . . . . 33 MET C . 15539 1 204 . 1 1 36 36 MET CA C 13 58.1 0.2 . 1 . . . . 33 MET CA . 15539 1 205 . 1 1 36 36 MET CB C 13 31.0 0.2 . 1 . . . . 33 MET CB . 15539 1 206 . 1 1 36 36 MET N N 15 118.5 0.2 . 1 . . . . 33 MET N . 15539 1 207 . 1 1 37 37 ASP H H 1 8.63 0.02 . 1 . . . . 34 ASP H . 15539 1 208 . 1 1 37 37 ASP C C 13 177.1 0.2 . 1 . . . . 34 ASP C . 15539 1 209 . 1 1 37 37 ASP CA C 13 57.4 0.2 . 1 . . . . 34 ASP CA . 15539 1 210 . 1 1 37 37 ASP CB C 13 39.1 0.2 . 1 . . . . 34 ASP CB . 15539 1 211 . 1 1 37 37 ASP N N 15 121.2 0.2 . 1 . . . . 34 ASP N . 15539 1 212 . 1 1 38 38 LEU H H 1 8.11 0.02 . 1 . . . . 35 LEU H . 15539 1 213 . 1 1 38 38 LEU N N 15 123.0 0.2 . 1 . . . . 35 LEU N . 15539 1 214 . 1 1 39 39 HIS H H 1 8.53 0.2 . 1 . . . . 36 HIS H . 15539 1 215 . 1 1 39 39 HIS N N 15 119.7 0.2 . 1 . . . . 36 HIS N . 15539 1 216 . 1 1 40 40 ASP H H 1 8.65 0.02 . 1 . . . . 37 ASP H . 15539 1 217 . 1 1 40 40 ASP C C 13 177.3 0.2 . 1 . . . . 37 ASP C . 15539 1 218 . 1 1 40 40 ASP CA C 13 54.1 0.2 . 1 . . . . 37 ASP CA . 15539 1 219 . 1 1 40 40 ASP CB C 13 40.4 0.2 . 1 . . . . 37 ASP CB . 15539 1 220 . 1 1 40 40 ASP N N 15 119.7 0.2 . 1 . . . . 37 ASP N . 15539 1 221 . 1 1 41 41 LEU H H 1 8.38 0.02 . 1 . . . . 38 LEU H . 15539 1 222 . 1 1 41 41 LEU C C 13 178.2 0.2 . 1 . . . . 38 LEU C . 15539 1 223 . 1 1 41 41 LEU CA C 13 52.7 0.2 . 1 . . . . 38 LEU CA . 15539 1 224 . 1 1 41 41 LEU CB C 13 40.4 0.2 . 1 . . . . 38 LEU CB . 15539 1 225 . 1 1 41 41 LEU N N 15 119.1 0.2 . 1 . . . . 38 LEU N . 15539 1 226 . 1 1 42 42 ALA H H 1 8.63 0.02 . 1 . . . . 39 ALA H . 15539 1 227 . 1 1 42 42 ALA C C 13 177.6 0.2 . 1 . . . . 39 ALA C . 15539 1 228 . 1 1 42 42 ALA CA C 13 54.7 0.2 . 1 . . . . 39 ALA CA . 15539 1 229 . 1 1 42 42 ALA CB C 13 16.6 0.2 . 1 . . . . 39 ALA CB . 15539 1 230 . 1 1 42 42 ALA N N 15 120.5 0.2 . 1 . . . . 39 ALA N . 15539 1 231 . 1 1 43 43 GLU H H 1 8.16 0.02 . 1 . . . . 40 GLU H . 15539 1 232 . 1 1 43 43 GLU C C 13 178.2 0.2 . 1 . . . . 40 GLU C . 15539 1 233 . 1 1 43 43 GLU CA C 13 58.2 0.2 . 1 . . . . 40 GLU CA . 15539 1 234 . 1 1 43 43 GLU CB C 13 29.7 0.2 . 1 . . . . 40 GLU CB . 15539 1 235 . 1 1 43 43 GLU N N 15 114.8 0.2 . 1 . . . . 40 GLU N . 15539 1 236 . 1 1 44 44 GLY H H 1 7.49 0.02 . 1 . . . . 41 GLY H . 15539 1 237 . 1 1 44 44 GLY C C 13 175.6 0.2 . 1 . . . . 41 GLY C . 15539 1 238 . 1 1 44 44 GLY CA C 13 45.5 0.2 . 1 . . . . 41 GLY CA . 15539 1 239 . 1 1 44 44 GLY N N 15 103.5 0.2 . 1 . . . . 41 GLY N . 15539 1 240 . 1 1 45 45 LEU H H 1 7.11 0.02 . 1 . . . . 42 LEU H . 15539 1 241 . 1 1 45 45 LEU CA C 13 54.1 0.2 . 1 . . . . 42 LEU CA . 15539 1 242 . 1 1 45 45 LEU CB C 13 39.1 0.2 . 1 . . . . 42 LEU CB . 15539 1 243 . 1 1 45 45 LEU N N 15 121.0 0.2 . 1 . . . . 42 LEU N . 15539 1 244 . 1 1 46 46 PRO C C 13 175.9 0.2 . 1 . . . . 43 PRO C . 15539 1 245 . 1 1 46 46 PRO CA C 13 63.3 0.2 . 1 . . . . 43 PRO CA . 15539 1 246 . 1 1 46 46 PRO CB C 13 34.7 0.2 . 1 . . . . 43 PRO CB . 15539 1 247 . 1 1 47 47 THR H H 1 8.97 0.02 . 1 . . . . 44 THR H . 15539 1 248 . 1 1 47 47 THR C C 13 174.8 0.2 . 1 . . . . 44 THR C . 15539 1 249 . 1 1 47 47 THR CA C 13 65.6 0.2 . 1 . . . . 44 THR CA . 15539 1 250 . 1 1 47 47 THR CB C 13 67.9 0.2 . 1 . . . . 44 THR CB . 15539 1 251 . 1 1 47 47 THR CG2 C 13 21.7 0.2 . 1 . . . . 44 THR CG2 . 15539 1 252 . 1 1 47 47 THR N N 15 123.2 0.2 . 1 . . . . 44 THR N . 15539 1 253 . 1 1 48 48 ASP H H 1 9.23 0.02 . 1 . . . . 45 ASP H . 15539 1 254 . 1 1 48 48 ASP CA C 13 56.0 0.2 . 1 . . . . 45 ASP CA . 15539 1 255 . 1 1 48 48 ASP CB C 13 38.5 0.2 . 1 . . . . 45 ASP CB . 15539 1 256 . 1 1 48 48 ASP N N 15 122.1 0.2 . 1 . . . . 45 ASP N . 15539 1 257 . 1 1 49 49 TYR H H 1 7.73 0.02 . 1 . . . . 46 TYR H . 15539 1 258 . 1 1 49 49 TYR C C 13 177.3 0.2 . 1 . . . . 46 TYR C . 15539 1 259 . 1 1 49 49 TYR CA C 13 60.5 0.2 . 1 . . . . 46 TYR CA . 15539 1 260 . 1 1 49 49 TYR CB C 13 36.0 0.2 . 1 . . . . 46 TYR CB . 15539 1 261 . 1 1 49 49 TYR N N 15 115.7 0.2 . 1 . . . . 46 TYR N . 15539 1 262 . 1 1 50 50 GLU H H 1 9.00 0.2 . 1 . . . . 47 GLU H . 15539 1 263 . 1 1 50 50 GLU C C 13 177.1 0.2 . 1 . . . . 47 GLU C . 15539 1 264 . 1 1 50 50 GLU CA C 13 58.6 0.2 . 1 . . . . 47 GLU CA . 15539 1 265 . 1 1 50 50 GLU CB C 13 27.9 0.2 . 1 . . . . 47 GLU CB . 15539 1 266 . 1 1 50 50 GLU CG C 13 36.0 0.2 . 1 . . . . 47 GLU CG . 15539 1 267 . 1 1 50 50 GLU N N 15 120.9 0.2 . 1 . . . . 47 GLU N . 15539 1 268 . 1 1 51 51 ASN H H 1 7.98 0.02 . 1 . . . . 48 ASN H . 15539 1 269 . 1 1 51 51 ASN C C 13 176.7 0.2 . 1 . . . . 48 ASN C . 15539 1 270 . 1 1 51 51 ASN CA C 13 52.7 0.2 . 1 . . . . 48 ASN CA . 15539 1 271 . 1 1 51 51 ASN CB C 13 38.5 0.2 . 1 . . . . 48 ASN CB . 15539 1 272 . 1 1 51 51 ASN N N 15 116.7 0.2 . 1 . . . . 48 ASN N . 15539 1 273 . 1 1 52 52 LEU H H 1 7.77 0.02 . 1 . . . . 49 LEU H . 15539 1 274 . 1 1 52 52 LEU C C 13 177.4 0.2 . 1 . . . . 49 LEU C . 15539 1 275 . 1 1 52 52 LEU CA C 13 59.0 0.2 . 1 . . . . 49 LEU CA . 15539 1 276 . 1 1 52 52 LEU CB C 13 43.5 0.2 . 1 . . . . 49 LEU CB . 15539 1 277 . 1 1 52 52 LEU N N 15 123.4 0.2 . 1 . . . . 49 LEU N . 15539 1 278 . 1 1 53 53 VAL H H 1 8.88 0.02 . 1 . . . . 50 VAL H . 15539 1 279 . 1 1 53 53 VAL C C 13 177.6 0.2 . 1 . . . . 50 VAL C . 15539 1 280 . 1 1 53 53 VAL CA C 13 67.7 0.2 . 1 . . . . 50 VAL CA . 15539 1 281 . 1 1 53 53 VAL CB C 13 30.4 0.2 . 1 . . . . 50 VAL CB . 15539 1 282 . 1 1 53 53 VAL CG1 C 13 22.9 0.2 . 2 . . . . 50 VAL CG1 . 15539 1 283 . 1 1 53 53 VAL CG2 C 13 21.0 0.2 . 2 . . . . 50 VAL CG2 . 15539 1 284 . 1 1 53 53 VAL N N 15 119.7 0.2 . 1 . . . . 50 VAL N . 15539 1 285 . 1 1 54 54 GLU H H 1 8.82 0.02 . 1 . . . . 51 GLU H . 15539 1 286 . 1 1 54 54 GLU C C 13 179.3 0.2 . 1 . . . . 51 GLU C . 15539 1 287 . 1 1 54 54 GLU CA C 13 59.0 0.2 . 1 . . . . 51 GLU CA . 15539 1 288 . 1 1 54 54 GLU CB C 13 28.5 0.2 . 1 . . . . 51 GLU CB . 15539 1 289 . 1 1 54 54 GLU CG C 13 36.3 0.2 . 1 . . . . 51 GLU CG . 15539 1 290 . 1 1 54 54 GLU N N 15 120.2 0.2 . 1 . . . . 51 GLU N . 15539 1 291 . 1 1 55 55 THR H H 1 7.65 0.02 . 1 . . . . 52 THR H . 15539 1 292 . 1 1 55 55 THR C C 13 177.6 0.2 . 1 . . . . 52 THR C . 15539 1 293 . 1 1 55 55 THR CA C 13 66.8 0.2 . 1 . . . . 52 THR CA . 15539 1 294 . 1 1 55 55 THR CB C 13 67.3 0.2 . 1 . . . . 52 THR CB . 15539 1 295 . 1 1 55 55 THR N N 15 114.5 0.2 . 1 . . . . 52 THR N . 15539 1 296 . 1 1 56 56 ALA H H 1 8.80 0.02 . 1 . . . . 53 ALA H . 15539 1 297 . 1 1 56 56 ALA C C 13 178.5 0.2 . 1 . . . . 53 ALA C . 15539 1 298 . 1 1 56 56 ALA CA C 13 56.0 0.2 . 1 . . . . 53 ALA CA . 15539 1 299 . 1 1 56 56 ALA CB C 13 18.5 0.2 . 1 . . . . 53 ALA CB . 15539 1 300 . 1 1 56 56 ALA N N 15 127.6 0.2 . 1 . . . . 53 ALA N . 15539 1 301 . 1 1 57 57 GLU H H 1 9.27 0.02 . 1 . . . . 54 GLU H . 15539 1 302 . 1 1 57 57 GLU C C 13 179.2 0.2 . 1 . . . . 54 GLU C . 15539 1 303 . 1 1 57 57 GLU CA C 13 60.0 0.2 . 1 . . . . 54 GLU CA . 15539 1 304 . 1 1 57 57 GLU CB C 13 29.1 0.2 . 1 . . . . 54 GLU CB . 15539 1 305 . 1 1 57 57 GLU CG C 13 36.8 0.2 . 1 . . . . 54 GLU CG . 15539 1 306 . 1 1 57 57 GLU N N 15 120.1 0.2 . 1 . . . . 54 GLU N . 15539 1 307 . 1 1 58 58 LYS H H 1 8.12 0.02 . 1 . . . . 55 LYS H . 15539 1 308 . 1 1 58 58 LYS C C 13 179.5 0.2 . 1 . . . . 55 LYS C . 15539 1 309 . 1 1 58 58 LYS CA C 13 59.0 0.2 . 1 . . . . 55 LYS CA . 15539 1 310 . 1 1 58 58 LYS CB C 13 31.6 0.2 . 1 . . . . 55 LYS CB . 15539 1 311 . 1 1 58 58 LYS N N 15 118.7 0.2 . 1 . . . . 55 LYS N . 15539 1 312 . 1 1 59 59 THR H H 1 8.02 0.02 . 1 . . . . 56 THR H . 15539 1 313 . 1 1 59 59 THR C C 13 175.7 0.2 . 1 . . . . 56 THR C . 15539 1 314 . 1 1 59 59 THR CA C 13 67.3 0.2 . 1 . . . . 56 THR CA . 15539 1 315 . 1 1 59 59 THR N N 15 117.0 0.2 . 1 . . . . 56 THR N . 15539 1 316 . 1 1 60 60 TYR H H 1 9.13 0.02 . 1 . . . . 57 TYR H . 15539 1 317 . 1 1 60 60 TYR C C 13 177.0 0.2 . 1 . . . . 57 TYR C . 15539 1 318 . 1 1 60 60 TYR CA C 13 62.4 0.2 . 1 . . . . 57 TYR CA . 15539 1 319 . 1 1 60 60 TYR CB C 13 37.9 0.2 . 1 . . . . 57 TYR CB . 15539 1 320 . 1 1 60 60 TYR N N 15 123.5 0.2 . 1 . . . . 57 TYR N . 15539 1 321 . 1 1 61 61 GLU H H 1 8.23 0.2 . 1 . . . . 58 GLU H . 15539 1 322 . 1 1 61 61 GLU C C 13 179.8 0.2 . 1 . . . . 58 GLU C . 15539 1 323 . 1 1 61 61 GLU CA C 13 59.0 0.2 . 1 . . . . 58 GLU CA . 15539 1 324 . 1 1 61 61 GLU CB C 13 29.1 0.2 . 1 . . . . 58 GLU CB . 15539 1 325 . 1 1 61 61 GLU N N 15 116.6 0.2 . 1 . . . . 58 GLU N . 15539 1 326 . 1 1 62 62 ILE H H 1 7.43 0.02 . 1 . . . . 59 ILE H . 15539 1 327 . 1 1 62 62 ILE HA H 1 4.05 0.02 . 1 . . . . 59 ILE HA . 15539 1 328 . 1 1 62 62 ILE HB H 1 1.97 0.02 . 1 . . . . 59 ILE HB . 15539 1 329 . 1 1 62 62 ILE HD11 H 1 0.74 0.02 . 1 . . . . 59 ILE HD1 . 15539 1 330 . 1 1 62 62 ILE HD12 H 1 0.74 0.02 . 1 . . . . 59 ILE HD1 . 15539 1 331 . 1 1 62 62 ILE HD13 H 1 0.74 0.02 . 1 . . . . 59 ILE HD1 . 15539 1 332 . 1 1 62 62 ILE HG12 H 1 1.55 0.02 . 2 . . . . 59 ILE HG12 . 15539 1 333 . 1 1 62 62 ILE HG13 H 1 1.34 0.02 . 2 . . . . 59 ILE HG13 . 15539 1 334 . 1 1 62 62 ILE HG21 H 1 0.87 0.02 . 1 . . . . 59 ILE HG2 . 15539 1 335 . 1 1 62 62 ILE HG22 H 1 0.87 0.02 . 1 . . . . 59 ILE HG2 . 15539 1 336 . 1 1 62 62 ILE HG23 H 1 0.87 0.02 . 1 . . . . 59 ILE HG2 . 15539 1 337 . 1 1 62 62 ILE C C 13 177.0 0.2 . 1 . . . . 59 ILE C . 15539 1 338 . 1 1 62 62 ILE CA C 13 63.0 0.2 . 1 . . . . 59 ILE CA . 15539 1 339 . 1 1 62 62 ILE CB C 13 36.6 0.2 . 1 . . . . 59 ILE CB . 15539 1 340 . 1 1 62 62 ILE CD1 C 13 13.1 0.2 . 1 . . . . 59 ILE CD1 . 15539 1 341 . 1 1 62 62 ILE CG1 C 13 29.4 0.2 . 1 . . . . 59 ILE CG1 . 15539 1 342 . 1 1 62 62 ILE CG2 C 13 17.2 0.2 . 1 . . . . 59 ILE CG2 . 15539 1 343 . 1 1 62 62 ILE N N 15 119.5 0.2 . 1 . . . . 59 ILE N . 15539 1 344 . 1 1 63 63 PHE H H 1 7.91 0.2 . 1 . . . . 60 PHE H . 15539 1 345 . 1 1 63 63 PHE C C 13 178.2 0.2 . 1 . . . . 60 PHE C . 15539 1 346 . 1 1 63 63 PHE CA C 13 63.7 0.2 . 1 . . . . 60 PHE CA . 15539 1 347 . 1 1 63 63 PHE CB C 13 37.9 0.2 . 1 . . . . 60 PHE CB . 15539 1 348 . 1 1 63 63 PHE N N 15 119.1 0.2 . 1 . . . . 60 PHE N . 15539 1 349 . 1 1 64 64 ARG H H 1 8.78 0.02 . 1 . . . . 61 ARG H . 15539 1 350 . 1 1 64 64 ARG C C 13 178.2 0.2 . 1 . . . . 61 ARG C . 15539 1 351 . 1 1 64 64 ARG CA C 13 58.6 0.2 . 1 . . . . 61 ARG CA . 15539 1 352 . 1 1 64 64 ARG CB C 13 28.5 0.2 . 1 . . . . 61 ARG CB . 15539 1 353 . 1 1 64 64 ARG N N 15 122.9 0.2 . 1 . . . . 61 ARG N . 15539 1 354 . 1 1 65 65 GLU H H 1 7.72 0.02 . 1 . . . . 62 GLU H . 15539 1 355 . 1 1 65 65 GLU C C 13 178.7 0.2 . 1 . . . . 62 GLU C . 15539 1 356 . 1 1 65 65 GLU CA C 13 59.0 0.2 . 1 . . . . 62 GLU CA . 15539 1 357 . 1 1 65 65 GLU CB C 13 28.5 0.2 . 1 . . . . 62 GLU CB . 15539 1 358 . 1 1 65 65 GLU N N 15 121.4 0.2 . 1 . . . . 62 GLU N . 15539 1 359 . 1 1 66 66 LEU H H 1 8.30 0.02 . 1 . . . . 63 LEU H . 15539 1 360 . 1 1 66 66 LEU C C 13 177.4 0.2 . 1 . . . . 63 LEU C . 15539 1 361 . 1 1 66 66 LEU CA C 13 57.9 0.2 . 1 . . . . 63 LEU CA . 15539 1 362 . 1 1 66 66 LEU CB C 13 41.6 0.2 . 1 . . . . 63 LEU CB . 15539 1 363 . 1 1 66 66 LEU CD1 C 13 22.9 0.2 . 2 . . . . 63 LEU CD1 . 15539 1 364 . 1 1 66 66 LEU CD2 C 13 22.9 0.2 . 2 . . . . 63 LEU CD2 . 15539 1 365 . 1 1 66 66 LEU CG C 13 24.3 0.2 . 1 . . . . 63 LEU CG . 15539 1 366 . 1 1 66 66 LEU N N 15 119.5 0.2 . 1 . . . . 63 LEU N . 15539 1 367 . 1 1 67 67 ASP H H 1 7.89 0.02 . 1 . . . . 64 ASP H . 15539 1 368 . 1 1 67 67 ASP C C 13 178.5 0.2 . 1 . . . . 64 ASP C . 15539 1 369 . 1 1 67 67 ASP CA C 13 56.9 0.2 . 1 . . . . 64 ASP CA . 15539 1 370 . 1 1 67 67 ASP CB C 13 41.6 0.2 . 1 . . . . 64 ASP CB . 15539 1 371 . 1 1 67 67 ASP N N 15 118.2 0.2 . 1 . . . . 64 ASP N . 15539 1 372 . 1 1 68 68 GLN H H 1 7.81 0.02 . 1 . . . . 65 GLN H . 15539 1 373 . 1 1 68 68 GLN C C 13 177.4 0.2 . 1 . . . . 65 GLN C . 15539 1 374 . 1 1 68 68 GLN CA C 13 58.6 0.2 . 1 . . . . 65 GLN CA . 15539 1 375 . 1 1 68 68 GLN CB C 13 27.9 0.2 . 1 . . . . 65 GLN CB . 15539 1 376 . 1 1 68 68 GLN N N 15 115.9 0.2 . 1 . . . . 65 GLN N . 15539 1 377 . 1 1 69 69 LEU H H 1 8.59 0.02 . 1 . . . . 66 LEU H . 15539 1 378 . 1 1 69 69 LEU C C 13 178.7 0.2 . 1 . . . . 66 LEU C . 15539 1 379 . 1 1 69 69 LEU CA C 13 57.4 0.2 . 1 . . . . 66 LEU CA . 15539 1 380 . 1 1 69 69 LEU CB C 13 41.0 0.2 . 1 . . . . 66 LEU CB . 15539 1 381 . 1 1 69 69 LEU N N 15 120.7 0.2 . 1 . . . . 66 LEU N . 15539 1 382 . 1 1 70 70 LYS H H 1 8.72 0.02 . 1 . . . . 67 LYS H . 15539 1 383 . 1 1 70 70 LYS C C 13 179.8 0.2 . 1 . . . . 67 LYS C . 15539 1 384 . 1 1 70 70 LYS CA C 13 60.0 0.2 . 1 . . . . 67 LYS CA . 15539 1 385 . 1 1 70 70 LYS CB C 13 31.6 0.2 . 1 . . . . 67 LYS CB . 15539 1 386 . 1 1 70 70 LYS N N 15 119.5 0.2 . 1 . . . . 67 LYS N . 15539 1 387 . 1 1 71 71 LYS H H 1 7.90 0.02 . 1 . . . . 68 LYS H . 15539 1 388 . 1 1 71 71 LYS C C 13 179.0 0.2 . 1 . . . . 68 LYS C . 15539 1 389 . 1 1 71 71 LYS CA C 13 59.5 0.2 . 1 . . . . 68 LYS CA . 15539 1 390 . 1 1 71 71 LYS CB C 13 31.0 0.2 . 1 . . . . 68 LYS CB . 15539 1 391 . 1 1 71 71 LYS N N 15 119.9 0.2 . 1 . . . . 68 LYS N . 15539 1 392 . 1 1 72 72 LYS H H 1 7.48 0.02 . 1 . . . . 69 LYS H . 15539 1 393 . 1 1 72 72 LYS CA C 13 58.8 0.2 . 1 . . . . 69 LYS CA . 15539 1 394 . 1 1 72 72 LYS CB C 13 31.0 0.2 . 1 . . . . 69 LYS CB . 15539 1 395 . 1 1 72 72 LYS N N 15 120.6 0.2 . 1 . . . . 69 LYS N . 15539 1 396 . 1 1 73 73 LEU H H 1 8.62 0.02 . 1 . . . . 70 LEU H . 15539 1 397 . 1 1 73 73 LEU C C 13 174.2 0.2 . 1 . . . . 70 LEU C . 15539 1 398 . 1 1 73 73 LEU CA C 13 57.6 0.2 . 1 . . . . 70 LEU CA . 15539 1 399 . 1 1 73 73 LEU CB C 13 40.4 0.2 . 1 . . . . 70 LEU CB . 15539 1 400 . 1 1 73 73 LEU CD1 C 13 23.2 0.2 . 2 . . . . 70 LEU CD1 . 15539 1 401 . 1 1 73 73 LEU CD2 C 13 23.2 0.2 . 2 . . . . 70 LEU CD2 . 15539 1 402 . 1 1 73 73 LEU CG C 13 26.2 0.2 . 1 . . . . 70 LEU CG . 15539 1 403 . 1 1 73 73 LEU N N 15 122.1 0.2 . 1 . . . . 70 LEU N . 15539 1 404 . 1 1 74 74 ASN H H 1 8.04 0.02 . 1 . . . . 71 ASN H . 15539 1 405 . 1 1 74 74 ASN C C 13 177.9 0.2 . 1 . . . . 71 ASN C . 15539 1 406 . 1 1 74 74 ASN CA C 13 56.2 0.2 . 1 . . . . 71 ASN CA . 15539 1 407 . 1 1 74 74 ASN CB C 13 38.5 0.2 . 1 . . . . 71 ASN CB . 15539 1 408 . 1 1 74 74 ASN N N 15 116.4 0.2 . 1 . . . . 71 ASN N . 15539 1 409 . 1 1 75 75 ILE H H 1 7.63 0.02 . 1 . . . . 72 ILE H . 15539 1 410 . 1 1 75 75 ILE HA H 1 3.99 0.02 . 1 . . . . 72 ILE HA . 15539 1 411 . 1 1 75 75 ILE HB H 1 2.08 0.02 . 1 . . . . 72 ILE HB . 15539 1 412 . 1 1 75 75 ILE HD11 H 1 0.94 0.02 . 1 . . . . 72 ILE HD1 . 15539 1 413 . 1 1 75 75 ILE HD12 H 1 0.94 0.02 . 1 . . . . 72 ILE HD1 . 15539 1 414 . 1 1 75 75 ILE HD13 H 1 0.94 0.02 . 1 . . . . 72 ILE HD1 . 15539 1 415 . 1 1 75 75 ILE HG12 H 1 1.78 0.02 . 2 . . . . 72 ILE HG12 . 15539 1 416 . 1 1 75 75 ILE HG13 H 1 1.28 0.02 . 2 . . . . 72 ILE HG13 . 15539 1 417 . 1 1 75 75 ILE HG21 H 1 1.07 0.02 . 1 . . . . 72 ILE HG2 . 15539 1 418 . 1 1 75 75 ILE HG22 H 1 1.07 0.02 . 1 . . . . 72 ILE HG2 . 15539 1 419 . 1 1 75 75 ILE HG23 H 1 1.07 0.02 . 1 . . . . 72 ILE HG2 . 15539 1 420 . 1 1 75 75 ILE C C 13 179.6 0.2 . 1 . . . . 72 ILE C . 15539 1 421 . 1 1 75 75 ILE CA C 13 64.2 0.2 . 1 . . . . 72 ILE CA . 15539 1 422 . 1 1 75 75 ILE CB C 13 37.2 0.2 . 1 . . . . 72 ILE CB . 15539 1 423 . 1 1 75 75 ILE CD1 C 13 12.3 0.2 . 1 . . . . 72 ILE CD1 . 15539 1 424 . 1 1 75 75 ILE CG2 C 13 17.3 0.2 . 1 . . . . 72 ILE CG2 . 15539 1 425 . 1 1 75 75 ILE N N 15 119.7 0.2 . 1 . . . . 72 ILE N . 15539 1 426 . 1 1 76 76 TRP H H 1 8.89 0.02 . 1 . . . . 73 TRP H . 15539 1 427 . 1 1 76 76 TRP HD1 H 1 7.53 0.02 . 1 . . . . 73 TRP HD1 . 15539 1 428 . 1 1 76 76 TRP HE1 H 1 10.20 0.02 . 1 . . . . 73 TRP HE1 . 15539 1 429 . 1 1 76 76 TRP HZ2 H 1 7.10 0.02 . 1 . . . . 73 TRP HZ2 . 15539 1 430 . 1 1 76 76 TRP C C 13 179.0 0.2 . 1 . . . . 73 TRP C . 15539 1 431 . 1 1 76 76 TRP CA C 13 59.0 0.2 . 1 . . . . 73 TRP CA . 15539 1 432 . 1 1 76 76 TRP CB C 13 29.1 0.2 . 1 . . . . 73 TRP CB . 15539 1 433 . 1 1 76 76 TRP N N 15 122.5 0.2 . 1 . . . . 73 TRP N . 15539 1 434 . 1 1 76 76 TRP NE1 N 15 128.0 0.2 . 1 . . . . 73 TRP NE1 . 15539 1 435 . 1 1 77 77 GLU H H 1 9.18 0.02 . 1 . . . . 74 GLU H . 15539 1 436 . 1 1 77 77 GLU C C 13 179.2 0.2 . 1 . . . . 74 GLU C . 15539 1 437 . 1 1 77 77 GLU CA C 13 59.8 0.2 . 1 . . . . 74 GLU CA . 15539 1 438 . 1 1 77 77 GLU CB C 13 29.1 0.2 . 1 . . . . 74 GLU CB . 15539 1 439 . 1 1 77 77 GLU N N 15 118.5 0.2 . 1 . . . . 74 GLU N . 15539 1 440 . 1 1 78 78 GLU H H 1 7.84 0.02 . 1 . . . . 75 GLU H . 15539 1 441 . 1 1 78 78 GLU HA H 1 4.37 0.02 . 1 . . . . 75 GLU HA . 15539 1 442 . 1 1 78 78 GLU C C 13 178.4 0.2 . 1 . . . . 75 GLU C . 15539 1 443 . 1 1 78 78 GLU CA C 13 58.1 0.2 . 1 . . . . 75 GLU CA . 15539 1 444 . 1 1 78 78 GLU CB C 13 29.1 0.2 . 1 . . . . 75 GLU CB . 15539 1 445 . 1 1 78 78 GLU CG C 13 36.1 0.2 . 1 . . . . 75 GLU CG . 15539 1 446 . 1 1 78 78 GLU N N 15 118.6 0.2 . 1 . . . . 75 GLU N . 15539 1 447 . 1 1 79 79 THR H H 1 7.88 0.02 . 1 . . . . 76 THR H . 15539 1 448 . 1 1 79 79 THR HA H 1 4.48 0.02 . 1 . . . . 76 THR HA . 15539 1 449 . 1 1 79 79 THR HB H 1 4.32 0.02 . 1 . . . . 76 THR HB . 15539 1 450 . 1 1 79 79 THR HG21 H 1 1.26 0.02 . 1 . . . . 76 THR HG2 . 15539 1 451 . 1 1 79 79 THR HG22 H 1 1.26 0.02 . 1 . . . . 76 THR HG2 . 15539 1 452 . 1 1 79 79 THR HG23 H 1 1.26 0.02 . 1 . . . . 76 THR HG2 . 15539 1 453 . 1 1 79 79 THR C C 13 175.3 0.2 . 1 . . . . 76 THR C . 15539 1 454 . 1 1 79 79 THR CA C 13 63.7 0.2 . 1 . . . . 76 THR CA . 15539 1 455 . 1 1 79 79 THR CB C 13 69.1 0.2 . 1 . . . . 76 THR CB . 15539 1 456 . 1 1 79 79 THR CG2 C 13 21.0 0.2 . 1 . . . . 76 THR CG2 . 15539 1 457 . 1 1 79 79 THR N N 15 111.7 0.2 . 1 . . . . 76 THR N . 15539 1 458 . 1 1 80 80 LEU H H 1 7.48 0.02 . 1 . . . . 77 LEU H . 15539 1 459 . 1 1 80 80 LEU HA H 1 4.39 0.02 . 1 . . . . 77 LEU HA . 15539 1 460 . 1 1 80 80 LEU C C 13 176.3 0.2 . 1 . . . . 77 LEU C . 15539 1 461 . 1 1 80 80 LEU CA C 13 54.8 0.2 . 1 . . . . 77 LEU CA . 15539 1 462 . 1 1 80 80 LEU CB C 13 41.6 0.2 . 1 . . . . 77 LEU CB . 15539 1 463 . 1 1 80 80 LEU CD1 C 13 22.3 0.2 . 2 . . . . 77 LEU CD1 . 15539 1 464 . 1 1 80 80 LEU CD2 C 13 22.3 0.2 . 2 . . . . 77 LEU CD2 . 15539 1 465 . 1 1 80 80 LEU CG C 13 24.8 0.2 . 1 . . . . 77 LEU CG . 15539 1 466 . 1 1 80 80 LEU N N 15 121.7 0.2 . 1 . . . . 77 LEU N . 15539 1 467 . 1 1 81 81 LYS H H 1 7.44 0.02 . 1 . . . . 78 LYS H . 15539 1 468 . 1 1 81 81 LYS HA H 1 4.14 0.02 . 1 . . . . 78 LYS HA . 15539 1 469 . 1 1 81 81 LYS HB2 H 1 1.86 0.02 . 2 . . . . 78 LYS HB2 . 15539 1 470 . 1 1 81 81 LYS HB3 H 1 1.86 0.02 . 2 . . . . 78 LYS HB3 . 15539 1 471 . 1 1 81 81 LYS CA C 13 57.9 0.2 . 1 . . . . 78 LYS CA . 15539 1 472 . 1 1 81 81 LYS CB C 13 32.9 0.2 . 1 . . . . 78 LYS CB . 15539 1 473 . 1 1 81 81 LYS N N 15 126.4 0.2 . 1 . . . . 78 LYS N . 15539 1 stop_ save_