data_18867 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18867 _Entry.Title ; CD79a cytosolic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-29 _Entry.Accession_date 2012-11-29 _Entry.Last_release_date 2013-10-15 _Entry.Original_release_date 2013-10-15 _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 . _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 Maxim Mayzel . . . 18867 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18867 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Swedish NMR Centrum' . 18867 2 . 'Institut de Biologie Structurale' . 18867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 18867 '15N chemical shifts' 120 18867 '1H chemical shifts' 120 18867 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-10-15 2012-11-29 original author . 18867 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18867 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23667548 _Citation.Full_citation . _Citation.Title 'Highly efficient NMR assignment of intrinsically disordered proteins: application to B- and T cell receptor domains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 8 _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 e62947 _Citation.Page_last e62947 _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 Linnea Isaksson . . . 18867 1 2 Maxim Mayzel . . . 18867 1 3 Maria Saline . . . 18867 1 4 Anders Pedersen . . . 18867 1 5 Bernhard Brutscher . . . 18867 1 6 Goran Karlsson . . . 18867 1 7 Vladislav Orekhov . . . 18867 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 18867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18867 _Assembly.ID 1 _Assembly.Name CD79a _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 7188.7093 _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 'CD79a, native' 1 $CD79a A . yes native no no . . . 18867 1 2 'CD79a, denatured' 1 $CD79a A . yes denatured no no . . . 18867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD79a _Entity.Sf_category entity _Entity.Sf_framecode CD79a _Entity.Entry_ID 18867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD79a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLRKRWQNEKLGLDAGDEYE DENLYEGLNLDDCSMYEDIS RGLQGTYQDVGSLNIGDVQL EKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7188.7093 _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 BMRB 19644 . CD79a_cyt . . . . . 96.83 61 100.00 100.00 8.55e-34 . . . . 18867 1 2 no BMRB 19645 . CD79a_cyt . . . . . 100.00 63 100.00 100.00 8.59e-36 . . . . 18867 1 3 no BMRB 19648 . CD79a_cyt_phosp . . . . . 100.00 63 100.00 100.00 8.59e-36 . . . . 18867 1 4 no BMRB 19649 . CD79a_cyt_phosph_assigned_chem_shift_list . . . . . 100.00 63 100.00 100.00 8.59e-36 . . . . 18867 1 5 no BMRB 19723 . cytoplasmic_Ig-alpha_polypeptide . . . . . 96.83 99 100.00 100.00 6.73e-35 . . . . 18867 1 6 no BMRB 19724 . cytoplasmic_Ig-alpha_polypeptide . . . . . 96.83 99 100.00 100.00 6.73e-35 . . . . 18867 1 7 no DBJ BAG37737 . "unnamed protein product [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 8 no EMBL CAA31802 . "pot. h-MB-1 protein (54 AA) [Homo sapiens]" . . . . . 52.38 54 96.97 96.97 2.08e-12 . . . . 18867 1 9 no EMBL CAA58523 . "Ig-alpha, variant [Homo sapiens]" . . . . . 98.41 188 98.39 98.39 2.31e-34 . . . . 18867 1 10 no GB AAA20495 . "MB-1 [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 11 no GB AAA57274 . "immunoglobulin-associated signalling molecule [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 12 no GB AAA59556 . "extracellular domain [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 13 no GB AAA59557 . "signal transduction via sig in B lymphocytes; putative [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 14 no GB AAA60270 . "B-cell antigen receptor alpha subunit [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.79e-34 . . . . 18867 1 15 no REF NP_001774 . "B-cell antigen receptor complex-associated protein alpha chain isoform 1 precursor [Homo sapiens]" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 1 16 no REF NP_067612 . "B-cell antigen receptor complex-associated protein alpha chain isoform 2 precursor [Homo sapiens]" . . . . . 98.41 188 98.39 98.39 2.31e-34 . . . . 18867 1 17 no REF XP_001152742 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain [Pan troglodytes]" . . . . . 98.41 226 98.39 98.39 6.22e-34 . . . . 18867 1 18 no REF XP_002829327 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X1 [Pongo abelii]" . . . . . 98.41 227 98.39 98.39 6.04e-34 . . . . 18867 1 19 no REF XP_003779238 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X2 [Pongo abelii]" . . . . . 98.41 189 98.39 98.39 1.81e-34 . . . . 18867 1 20 no SP P11912 . "RecName: Full=B-cell antigen receptor complex-associated protein alpha chain; AltName: Full=Ig-alpha; AltName: Full=MB-1 membra" . . . . . 98.41 226 98.39 98.39 7.54e-34 . . . . 18867 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 1 SER . 18867 1 2 2 LEU . 18867 1 3 3 ARG . 18867 1 4 4 LYS . 18867 1 5 5 ARG . 18867 1 6 6 TRP . 18867 1 7 7 GLN . 18867 1 8 8 ASN . 18867 1 9 9 GLU . 18867 1 10 10 LYS . 18867 1 11 11 LEU . 18867 1 12 12 GLY . 18867 1 13 13 LEU . 18867 1 14 14 ASP . 18867 1 15 15 ALA . 18867 1 16 16 GLY . 18867 1 17 17 ASP . 18867 1 18 18 GLU . 18867 1 19 19 TYR . 18867 1 20 20 GLU . 18867 1 21 21 ASP . 18867 1 22 22 GLU . 18867 1 23 23 ASN . 18867 1 24 24 LEU . 18867 1 25 25 TYR . 18867 1 26 26 GLU . 18867 1 27 27 GLY . 18867 1 28 28 LEU . 18867 1 29 29 ASN . 18867 1 30 30 LEU . 18867 1 31 31 ASP . 18867 1 32 32 ASP . 18867 1 33 33 CYS . 18867 1 34 34 SER . 18867 1 35 35 MET . 18867 1 36 36 TYR . 18867 1 37 37 GLU . 18867 1 38 38 ASP . 18867 1 39 39 ILE . 18867 1 40 40 SER . 18867 1 41 41 ARG . 18867 1 42 42 GLY . 18867 1 43 43 LEU . 18867 1 44 44 GLN . 18867 1 45 45 GLY . 18867 1 46 46 THR . 18867 1 47 47 TYR . 18867 1 48 48 GLN . 18867 1 49 49 ASP . 18867 1 50 50 VAL . 18867 1 51 51 GLY . 18867 1 52 52 SER . 18867 1 53 53 LEU . 18867 1 54 54 ASN . 18867 1 55 55 ILE . 18867 1 56 56 GLY . 18867 1 57 57 ASP . 18867 1 58 58 VAL . 18867 1 59 59 GLN . 18867 1 60 60 LEU . 18867 1 61 61 GLU . 18867 1 62 62 LYS . 18867 1 63 63 PRO . 18867 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 . SER 1 1 18867 1 . LEU 2 2 18867 1 . ARG 3 3 18867 1 . LYS 4 4 18867 1 . ARG 5 5 18867 1 . TRP 6 6 18867 1 . GLN 7 7 18867 1 . ASN 8 8 18867 1 . GLU 9 9 18867 1 . LYS 10 10 18867 1 . LEU 11 11 18867 1 . GLY 12 12 18867 1 . LEU 13 13 18867 1 . ASP 14 14 18867 1 . ALA 15 15 18867 1 . GLY 16 16 18867 1 . ASP 17 17 18867 1 . GLU 18 18 18867 1 . TYR 19 19 18867 1 . GLU 20 20 18867 1 . ASP 21 21 18867 1 . GLU 22 22 18867 1 . ASN 23 23 18867 1 . LEU 24 24 18867 1 . TYR 25 25 18867 1 . GLU 26 26 18867 1 . GLY 27 27 18867 1 . LEU 28 28 18867 1 . ASN 29 29 18867 1 . LEU 30 30 18867 1 . ASP 31 31 18867 1 . ASP 32 32 18867 1 . CYS 33 33 18867 1 . SER 34 34 18867 1 . MET 35 35 18867 1 . TYR 36 36 18867 1 . GLU 37 37 18867 1 . ASP 38 38 18867 1 . ILE 39 39 18867 1 . SER 40 40 18867 1 . ARG 41 41 18867 1 . GLY 42 42 18867 1 . LEU 43 43 18867 1 . GLN 44 44 18867 1 . GLY 45 45 18867 1 . THR 46 46 18867 1 . TYR 47 47 18867 1 . GLN 48 48 18867 1 . ASP 49 49 18867 1 . VAL 50 50 18867 1 . GLY 51 51 18867 1 . SER 52 52 18867 1 . LEU 53 53 18867 1 . ASN 54 54 18867 1 . ILE 55 55 18867 1 . GLY 56 56 18867 1 . ASP 57 57 18867 1 . VAL 58 58 18867 1 . GLN 59 59 18867 1 . LEU 60 60 18867 1 . GLU 61 61 18867 1 . LYS 62 62 18867 1 . PRO 63 63 18867 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 18867 _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 $CD79a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . B-cells . . B-Cell . . . . . . . . CD79A . 'cytosolic domain. UniProt ID P11912' . . 18867 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 18867 _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 $CD79a . 'cell free synthesis' 'Wheat germ - cell freeE. coli - cell free' 'batch cell-free' . . . . . . . . . . . . . . . . . . . . pEXP5-NT . . . 'E. coli S12 extract' . . 18867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Nativ _Sample.Sf_category sample _Sample.Sf_framecode Nativ _Sample.Entry_ID 18867 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM phosphate buffer. 2mM DTT, 0.02% azide,1mM EDTA, 1x Complete EDTA-free' _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 CD79a '[U-99% 13C; U-99% 15N]' . . 1 $CD79a . . 0.1 . . mM 1e-05 . . . 18867 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18867 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18867 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18867 1 5 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 18867 1 6 'Complete EDTA-free' 'natural abundance' . . . . . . 1 . . x . . . . 18867 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18867 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18867 1 stop_ save_ save_Denatured _Sample.Sf_category sample _Sample.Sf_framecode Denatured _Sample.Entry_ID 18867 _Sample.ID 2 _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 CD79a '[U-99% 13C; U-99% 15N]' . . 1 $CD79a . . 0.1 . . mM . . . . 18867 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18867 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18867 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18867 2 5 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 18867 2 6 'Complete EDTA-free' 'natural abundance' . . . . . . 1 . . x . . . . 18867 2 7 UREA 'natural abundance' . . . . . . 6 . . M . . . . 18867 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18867 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18867 2 stop_ save_ ####################### # Sample conditions # ####################### save_Normal _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Normal _Sample_condition_list.Entry_ID 18867 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.020 0.0001 M 18867 1 pH 6.700 0.05 pH 18867 1 pressure 1.000 . atm 18867 1 temperature 298.000 0.1 K 18867 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18867 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18867 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automatic assignment' 18867 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18867 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18867 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 18867 2 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18867 _Software.ID 3 _Software.Name MDDNMR _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Mayzel, Kazimierczuk' . http://nmr.gu.se 18867 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 18867 3 stop_ save_ save_TANSY _Software.Sf_category software _Software.Sf_framecode TANSY _Software.Entry_ID 18867 _Software.ID 4 _Software.Name TANSY _Software.Version 1.0 _Software.Details 'Targeted Acquisition Nmr SpectroscopY' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Mayzel, Orekhov' . . 18867 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra processing & analysis' 18867 4 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 18867 _Software.ID 5 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18867 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 18867 5 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 18867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number 1 _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18867 _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 UnityInova 1 600 . . . 18867 1 stop_ save_ save_600__Cold _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 600__Cold _NMR_spectrometer_probe.Entry_ID 18867 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Varian _NMR_spectrometer_probe.Model 'cold probe' _NMR_spectrometer_probe.Serial_number 1 _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18867 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 18867 _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 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 2 '3D HN(ca)CO' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 3 '3D HNCA' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 4 '3D HNCACB' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 5 '3D HNCO' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $Nativ isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 9 '3D HN(ca)CO' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 10 '3D HNCA' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 11 '3D HNCACB' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 12 '3D HNCO' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 13 '3D HN(CO)CA' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 1 14 '3D HN(COCA)CB' no . . . . . . . . . . 2 $Denatured isotropic . . 1 $Normal . . . 1 $spectrometer_1 1 $600__Cold . . . . . . . . . . . . . . 18867 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 18867 _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 water protons . . . . ppm 4.755 internal indirect 0.251449530 . . . . . . . . . 18867 1 H 1 water protons . . . . ppm 4.755 internal direct 1.0 . . . . . . . . . 18867 1 N 15 water protons . . . . ppm 4.755 internal indirect 0.101329118 . . . . . . . . . 18867 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 18867 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal _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' 1 $Nativ isotropic 18867 1 2 '3D HN(ca)CO' 1 $Nativ isotropic 18867 1 3 '3D HNCA' 1 $Nativ isotropic 18867 1 4 '3D HNCACB' 1 $Nativ isotropic 18867 1 5 '3D HNCO' 1 $Nativ isotropic 18867 1 6 '3D HN(CO)CA' 1 $Nativ isotropic 18867 1 7 '3D HN(COCA)CB' 1 $Nativ isotropic 18867 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 176.925 0.025 . 1 . . . . 2 LEU C . 18867 1 2 . 1 1 2 2 LEU CA C 13 55.394 0.006 . 1 . . . . 2 LEU CA . 18867 1 3 . 1 1 2 2 LEU CB C 13 42.602 0.002 . 1 . . . . 2 LEU CB . 18867 1 4 . 1 1 3 3 ARG H H 1 8.452 0.001 . 1 . . . . 3 ARG H . 18867 1 5 . 1 1 3 3 ARG C C 13 175.945 0.007 . 1 . . . . 3 ARG C . 18867 1 6 . 1 1 3 3 ARG CA C 13 56.000 . . 1 . . . . 3 ARG CA . 18867 1 7 . 1 1 3 3 ARG CB C 13 31.100 0.0 . 1 . . . . 3 ARG CB . 18867 1 8 . 1 1 3 3 ARG N N 15 122.296 0.023 . 1 . . . . 3 ARG N . 18867 1 9 . 1 1 4 4 LYS H H 1 8.324 0.003 . 1 . . . . 4 LYS H . 18867 1 10 . 1 1 4 4 LYS C C 13 176.517 0.012 . 1 . . . . 4 LYS C . 18867 1 11 . 1 1 4 4 LYS CA C 13 56.194 0.008 . 1 . . . . 4 LYS CA . 18867 1 12 . 1 1 4 4 LYS CB C 13 33.099 0.001 . 1 . . . . 4 LYS CB . 18867 1 13 . 1 1 4 4 LYS N N 15 122.816 0.023 . 1 . . . . 4 LYS N . 18867 1 14 . 1 1 5 5 ARG H H 1 8.381 0.002 . 1 . . . . 5 ARG H . 18867 1 15 . 1 1 5 5 ARG C C 13 176.202 0.003 . 1 . . . . 5 ARG C . 18867 1 16 . 1 1 5 5 ARG CA C 13 56.600 . . 1 . . . . 5 ARG CA . 18867 1 17 . 1 1 5 5 ARG CB C 13 30.788 0.017 . 1 . . . . 5 ARG CB . 18867 1 18 . 1 1 5 5 ARG N N 15 122.320 0.015 . 1 . . . . 5 ARG N . 18867 1 19 . 1 1 6 6 TRP H H 1 8.141 0.001 . 1 . . . . 6 TRP H . 18867 1 20 . 1 1 6 6 TRP C C 13 176.311 0.016 . 1 . . . . 6 TRP C . 18867 1 21 . 1 1 6 6 TRP CA C 13 57.313 0.009 . 1 . . . . 6 TRP CA . 18867 1 22 . 1 1 6 6 TRP CB C 13 29.500 . . 1 . . . . 6 TRP CB . 18867 1 23 . 1 1 6 6 TRP N N 15 121.287 0.032 . 1 . . . . 6 TRP N . 18867 1 24 . 1 1 7 7 GLN H H 1 8.191 0.002 . 1 . . . . 7 GLN H . 18867 1 25 . 1 1 7 7 GLN C C 13 175.690 0.014 . 1 . . . . 7 GLN C . 18867 1 26 . 1 1 7 7 GLN CA C 13 56.500 . . 1 . . . . 7 GLN CA . 18867 1 27 . 1 1 7 7 GLN CB C 13 29.300 0.0 . 1 . . . . 7 GLN CB . 18867 1 28 . 1 1 7 7 GLN N N 15 121.203 0.018 . 1 . . . . 7 GLN N . 18867 1 29 . 1 1 8 8 ASN H H 1 8.213 0.001 . 1 . . . . 8 ASN H . 18867 1 30 . 1 1 8 8 ASN C C 13 175.403 0.004 . 1 . . . . 8 ASN C . 18867 1 31 . 1 1 8 8 ASN CA C 13 53.700 0.0 . 1 . . . . 8 ASN CA . 18867 1 32 . 1 1 8 8 ASN CB C 13 38.700 . . 1 . . . . 8 ASN CB . 18867 1 33 . 1 1 8 8 ASN N N 15 118.613 0.009 . 1 . . . . 8 ASN N . 18867 1 34 . 1 1 9 9 GLU H H 1 8.411 0.002 . 1 . . . . 9 GLU H . 18867 1 35 . 1 1 9 9 GLU C C 13 176.659 . . 1 . . . . 9 GLU C . 18867 1 36 . 1 1 9 9 GLU CA C 13 57.300 0.0 . 1 . . . . 9 GLU CA . 18867 1 37 . 1 1 9 9 GLU CB C 13 29.899 0.001 . 1 . . . . 9 GLU CB . 18867 1 38 . 1 1 9 9 GLU N N 15 120.998 0.021 . 1 . . . . 9 GLU N . 18867 1 39 . 1 1 10 10 LYS H H 1 8.201 0.002 . 1 . . . . 10 LYS H . 18867 1 40 . 1 1 10 10 LYS C C 13 176.542 0.002 . 1 . . . . 10 LYS C . 18867 1 41 . 1 1 10 10 LYS CA C 13 56.500 . . 1 . . . . 10 LYS CA . 18867 1 42 . 1 1 10 10 LYS CB C 13 32.596 0.006 . 1 . . . . 10 LYS CB . 18867 1 43 . 1 1 10 10 LYS N N 15 120.925 0.022 . 1 . . . . 10 LYS N . 18867 1 44 . 1 1 11 11 LEU H H 1 8.021 0.001 . 1 . . . . 11 LEU H . 18867 1 45 . 1 1 11 11 LEU C C 13 177.702 0.002 . 1 . . . . 11 LEU C . 18867 1 46 . 1 1 11 11 LEU CA C 13 55.209 0.013 . 1 . . . . 11 LEU CA . 18867 1 47 . 1 1 11 11 LEU CB C 13 42.472 0.007 . 1 . . . . 11 LEU CB . 18867 1 48 . 1 1 11 11 LEU N N 15 121.780 0.032 . 1 . . . . 11 LEU N . 18867 1 49 . 1 1 12 12 GLY H H 1 8.242 0.001 . 1 . . . . 12 GLY H . 18867 1 50 . 1 1 12 12 GLY C C 13 174.193 0.01 . 1 . . . . 12 GLY C . 18867 1 51 . 1 1 12 12 GLY CA C 13 45.407 0.01 . 1 . . . . 12 GLY CA . 18867 1 52 . 1 1 12 12 GLY N N 15 109.193 0.019 . 1 . . . . 12 GLY N . 18867 1 53 . 1 1 13 13 LEU H H 1 8.052 0.001 . 1 . . . . 13 LEU H . 18867 1 54 . 1 1 13 13 LEU C C 13 177.189 0.015 . 1 . . . . 13 LEU C . 18867 1 55 . 1 1 13 13 LEU CA C 13 55.200 0.0 . 1 . . . . 13 LEU CA . 18867 1 56 . 1 1 13 13 LEU CB C 13 42.500 . . 1 . . . . 13 LEU CB . 18867 1 57 . 1 1 13 13 LEU N N 15 121.292 0.025 . 1 . . . . 13 LEU N . 18867 1 58 . 1 1 14 14 ASP H H 1 8.383 0.002 . 1 . . . . 14 ASP H . 18867 1 59 . 1 1 14 14 ASP C C 13 175.888 0.012 . 1 . . . . 14 ASP C . 18867 1 60 . 1 1 14 14 ASP CA C 13 54.100 . . 1 . . . . 14 ASP CA . 18867 1 61 . 1 1 14 14 ASP CB C 13 41.111 0.015 . 1 . . . . 14 ASP CB . 18867 1 62 . 1 1 14 14 ASP N N 15 120.706 0.009 . 1 . . . . 14 ASP N . 18867 1 63 . 1 1 15 15 ALA H H 1 8.162 0.001 . 1 . . . . 15 ALA H . 18867 1 64 . 1 1 15 15 ALA C C 13 178.136 0.005 . 1 . . . . 15 ALA C . 18867 1 65 . 1 1 15 15 ALA CA C 13 52.806 0.008 . 1 . . . . 15 ALA CA . 18867 1 66 . 1 1 15 15 ALA CB C 13 19.413 0.018 . 1 . . . . 15 ALA CB . 18867 1 67 . 1 1 15 15 ALA N N 15 124.209 0.023 . 1 . . . . 15 ALA N . 18867 1 68 . 1 1 16 16 GLY H H 1 8.354 0.002 . 1 . . . . 16 GLY H . 18867 1 69 . 1 1 16 16 GLY C C 13 173.995 0.007 . 1 . . . . 16 GLY C . 18867 1 70 . 1 1 16 16 GLY CA C 13 45.300 0.0 . 1 . . . . 16 GLY CA . 18867 1 71 . 1 1 16 16 GLY N N 15 107.817 0.013 . 1 . . . . 16 GLY N . 18867 1 72 . 1 1 17 17 ASP H H 1 8.161 0.001 . 1 . . . . 17 ASP H . 18867 1 73 . 1 1 17 17 ASP C C 13 176.106 0.009 . 1 . . . . 17 ASP C . 18867 1 74 . 1 1 17 17 ASP CA C 13 54.292 0.012 . 1 . . . . 17 ASP CA . 18867 1 75 . 1 1 17 17 ASP CB C 13 41.300 . . 1 . . . . 17 ASP CB . 18867 1 76 . 1 1 17 17 ASP N N 15 120.124 0.023 . 1 . . . . 17 ASP N . 18867 1 77 . 1 1 18 18 GLU H H 1 8.353 0.001 . 1 . . . . 18 GLU H . 18867 1 78 . 1 1 18 18 GLU C C 13 175.905 0.004 . 1 . . . . 18 GLU C . 18867 1 79 . 1 1 18 18 GLU CA C 13 56.593 0.01 . 1 . . . . 18 GLU CA . 18867 1 80 . 1 1 18 18 GLU CB C 13 30.207 0.01 . 1 . . . . 18 GLU CB . 18867 1 81 . 1 1 18 18 GLU N N 15 120.411 0.027 . 1 . . . . 18 GLU N . 18867 1 82 . 1 1 19 19 TYR H H 1 8.173 0.002 . 1 . . . . 19 TYR H . 18867 1 83 . 1 1 19 19 TYR C C 13 175.595 0.007 . 1 . . . . 19 TYR C . 18867 1 84 . 1 1 19 19 TYR CA C 13 57.794 0.009 . 1 . . . . 19 TYR CA . 18867 1 85 . 1 1 19 19 TYR CB C 13 39.105 0.007 . 1 . . . . 19 TYR CB . 18867 1 86 . 1 1 19 19 TYR N N 15 120.506 0.017 . 1 . . . . 19 TYR N . 18867 1 87 . 1 1 20 20 GLU H H 1 8.221 0.001 . 1 . . . . 20 GLU H . 18867 1 88 . 1 1 20 20 GLU C C 13 175.607 0.01 . 1 . . . . 20 GLU C . 18867 1 89 . 1 1 20 20 GLU CA C 13 56.096 0.006 . 1 . . . . 20 GLU CA . 18867 1 90 . 1 1 20 20 GLU CB C 13 30.500 . . 1 . . . . 20 GLU CB . 18867 1 91 . 1 1 20 20 GLU N N 15 122.212 0.02 . 1 . . . . 20 GLU N . 18867 1 92 . 1 1 21 21 ASP H H 1 8.292 0.001 . 1 . . . . 21 ASP H . 18867 1 93 . 1 1 21 21 ASP C C 13 176.403 0.003 . 1 . . . . 21 ASP C . 18867 1 94 . 1 1 21 21 ASP CA C 13 54.200 0.0 . 1 . . . . 21 ASP CA . 18867 1 95 . 1 1 21 21 ASP CB C 13 41.300 . . 1 . . . . 21 ASP CB . 18867 1 96 . 1 1 21 21 ASP N N 15 121.624 0.022 . 1 . . . . 21 ASP N . 18867 1 97 . 1 1 22 22 GLU H H 1 8.461 0.002 . 1 . . . . 22 GLU H . 18867 1 98 . 1 1 22 22 GLU C C 13 176.457 0.007 . 1 . . . . 22 GLU C . 18867 1 99 . 1 1 22 22 GLU CA C 13 57.100 . . 1 . . . . 22 GLU CA . 18867 1 100 . 1 1 22 22 GLU CB C 13 29.904 0.005 . 1 . . . . 22 GLU CB . 18867 1 101 . 1 1 22 22 GLU N N 15 121.995 0.026 . 1 . . . . 22 GLU N . 18867 1 102 . 1 1 23 23 ASN H H 1 8.484 0.002 . 1 . . . . 23 ASN H . 18867 1 103 . 1 1 23 23 ASN C C 13 175.309 0.009 . 1 . . . . 23 ASN C . 18867 1 104 . 1 1 23 23 ASN CA C 13 53.600 0.0 . 1 . . . . 23 ASN CA . 18867 1 105 . 1 1 23 23 ASN CB C 13 38.700 . . 1 . . . . 23 ASN CB . 18867 1 106 . 1 1 23 23 ASN N N 15 118.897 0.017 . 1 . . . . 23 ASN N . 18867 1 107 . 1 1 24 24 LEU H H 1 7.951 0.002 . 1 . . . . 24 LEU H . 18867 1 108 . 1 1 24 24 LEU C C 13 177.106 0.008 . 1 . . . . 24 LEU C . 18867 1 109 . 1 1 24 24 LEU CA C 13 55.592 0.011 . 1 . . . . 24 LEU CA . 18867 1 110 . 1 1 24 24 LEU CB C 13 42.204 0.005 . 1 . . . . 24 LEU CB . 18867 1 111 . 1 1 24 24 LEU N N 15 121.693 0.024 . 1 . . . . 24 LEU N . 18867 1 112 . 1 1 25 25 TYR H H 1 8.002 0.001 . 1 . . . . 25 TYR H . 18867 1 113 . 1 1 25 25 TYR C C 13 175.900 0.001 . 1 . . . . 25 TYR C . 18867 1 114 . 1 1 25 25 TYR CA C 13 57.800 0.0 . 1 . . . . 25 TYR CA . 18867 1 115 . 1 1 25 25 TYR CB C 13 38.609 0.012 . 1 . . . . 25 TYR CB . 18867 1 116 . 1 1 25 25 TYR N N 15 119.399 0.023 . 1 . . . . 25 TYR N . 18867 1 117 . 1 1 26 26 GLU H H 1 8.131 0.002 . 1 . . . . 26 GLU H . 18867 1 118 . 1 1 26 26 GLU C C 13 176.705 0.006 . 1 . . . . 26 GLU C . 18867 1 119 . 1 1 26 26 GLU CA C 13 56.800 0.0 . 1 . . . . 26 GLU CA . 18867 1 120 . 1 1 26 26 GLU CB C 13 30.094 0.008 . 1 . . . . 26 GLU CB . 18867 1 121 . 1 1 26 26 GLU N N 15 122.196 0.024 . 1 . . . . 26 GLU N . 18867 1 122 . 1 1 27 27 GLY H H 1 8.073 0.001 . 1 . . . . 27 GLY H . 18867 1 123 . 1 1 27 27 GLY C C 13 173.898 0.003 . 1 . . . . 27 GLY C . 18867 1 124 . 1 1 27 27 GLY CA C 13 45.407 0.009 . 1 . . . . 27 GLY CA . 18867 1 125 . 1 1 27 27 GLY N N 15 109.413 0.013 . 1 . . . . 27 GLY N . 18867 1 126 . 1 1 28 28 LEU H H 1 7.920 0.002 . 1 . . . . 28 LEU H . 18867 1 127 . 1 1 28 28 LEU C C 13 176.806 0.009 . 1 . . . . 28 LEU C . 18867 1 128 . 1 1 28 28 LEU CA C 13 55.100 . . 1 . . . . 28 LEU CA . 18867 1 129 . 1 1 28 28 LEU CB C 13 42.713 0.018 . 1 . . . . 28 LEU CB . 18867 1 130 . 1 1 28 28 LEU N N 15 120.925 0.019 . 1 . . . . 28 LEU N . 18867 1 131 . 1 1 29 29 ASN H H 1 8.493 0.002 . 1 . . . . 29 ASN H . 18867 1 132 . 1 1 29 29 ASN C C 13 175.196 0.006 . 1 . . . . 29 ASN C . 18867 1 133 . 1 1 29 29 ASN CA C 13 53.000 . . 1 . . . . 29 ASN CA . 18867 1 134 . 1 1 29 29 ASN CB C 13 38.700 . . 1 . . . . 29 ASN CB . 18867 1 135 . 1 1 29 29 ASN N N 15 119.713 0.008 . 1 . . . . 29 ASN N . 18867 1 136 . 1 1 30 30 LEU H H 1 8.262 0.001 . 1 . . . . 30 LEU H . 18867 1 137 . 1 1 30 30 LEU C C 13 177.311 0.011 . 1 . . . . 30 LEU C . 18867 1 138 . 1 1 30 30 LEU CA C 13 55.500 . . 1 . . . . 30 LEU CA . 18867 1 139 . 1 1 30 30 LEU CB C 13 42.187 0.018 . 1 . . . . 30 LEU CB . 18867 1 140 . 1 1 30 30 LEU N N 15 122.929 0.023 . 1 . . . . 30 LEU N . 18867 1 141 . 1 1 31 31 ASP H H 1 8.262 0.0 . 1 . . . . 31 ASP H . 18867 1 142 . 1 1 31 31 ASP C C 13 176.097 0.003 . 1 . . . . 31 ASP C . 18867 1 143 . 1 1 31 31 ASP CA C 13 54.600 . . 1 . . . . 31 ASP CA . 18867 1 144 . 1 1 31 31 ASP CB C 13 40.988 0.017 . 1 . . . . 31 ASP CB . 18867 1 145 . 1 1 31 31 ASP N N 15 120.094 0.024 . 1 . . . . 31 ASP N . 18867 1 146 . 1 1 32 32 ASP H H 1 8.121 0.001 . 1 . . . . 32 ASP H . 18867 1 147 . 1 1 32 32 ASP C C 13 176.540 0.009 . 1 . . . . 32 ASP C . 18867 1 148 . 1 1 32 32 ASP CA C 13 54.393 0.011 . 1 . . . . 32 ASP CA . 18867 1 149 . 1 1 32 32 ASP CB C 13 41.000 . . 1 . . . . 32 ASP CB . 18867 1 150 . 1 1 32 32 ASP N N 15 120.218 0.016 . 1 . . . . 32 ASP N . 18867 1 151 . 1 1 33 33 CYS H H 1 8.320 0.003 . 1 . . . . 33 CYS H . 18867 1 152 . 1 1 33 33 CYS C C 13 175.200 . . 1 . . . . 33 CYS C . 18867 1 153 . 1 1 33 33 CYS CA C 13 59.126 0.026 . 1 . . . . 33 CYS CA . 18867 1 154 . 1 1 33 33 CYS CB C 13 27.835 0.035 . 1 . . . . 33 CYS CB . 18867 1 155 . 1 1 33 33 CYS N N 15 119.601 0.028 . 1 . . . . 33 CYS N . 18867 1 156 . 1 1 34 34 SER H H 1 8.401 0.001 . 1 . . . . 34 SER H . 18867 1 157 . 1 1 34 34 SER C C 13 174.863 0.008 . 1 . . . . 34 SER C . 18867 1 158 . 1 1 34 34 SER CA C 13 59.496 0.006 . 1 . . . . 34 SER CA . 18867 1 159 . 1 1 34 34 SER CB C 13 63.505 0.007 . 1 . . . . 34 SER CB . 18867 1 160 . 1 1 34 34 SER N N 15 117.981 0.034 . 1 . . . . 34 SER N . 18867 1 161 . 1 1 35 35 MET H H 1 8.144 0.003 . 1 . . . . 35 MET H . 18867 1 162 . 1 1 35 35 MET C C 13 175.997 0.008 . 1 . . . . 35 MET C . 18867 1 163 . 1 1 35 35 MET CA C 13 56.100 0.0 . 1 . . . . 35 MET CA . 18867 1 164 . 1 1 35 35 MET CB C 13 32.495 0.007 . 1 . . . . 35 MET CB . 18867 1 165 . 1 1 35 35 MET N N 15 121.125 0.019 . 1 . . . . 35 MET N . 18867 1 166 . 1 1 36 36 TYR H H 1 7.932 0.0 . 1 . . . . 36 TYR H . 18867 1 167 . 1 1 36 36 TYR C C 13 175.903 0.004 . 1 . . . . 36 TYR C . 18867 1 168 . 1 1 36 36 TYR CA C 13 58.000 . . 1 . . . . 36 TYR CA . 18867 1 169 . 1 1 36 36 TYR CB C 13 38.700 . . 1 . . . . 36 TYR CB . 18867 1 170 . 1 1 36 36 TYR N N 15 119.993 0.024 . 1 . . . . 36 TYR N . 18867 1 171 . 1 1 37 37 GLU H H 1 8.132 0.001 . 1 . . . . 37 GLU H . 18867 1 172 . 1 1 37 37 GLU C C 13 175.992 0.012 . 1 . . . . 37 GLU C . 18867 1 173 . 1 1 37 37 GLU CA C 13 56.699 0.01 . 1 . . . . 37 GLU CA . 18867 1 174 . 1 1 37 37 GLU CB C 13 30.400 . . 1 . . . . 37 GLU CB . 18867 1 175 . 1 1 37 37 GLU N N 15 121.798 0.021 . 1 . . . . 37 GLU N . 18867 1 176 . 1 1 38 38 ASP H H 1 8.292 0.001 . 1 . . . . 38 ASP H . 18867 1 177 . 1 1 38 38 ASP C C 13 177.054 0.006 . 1 . . . . 38 ASP C . 18867 1 178 . 1 1 38 38 ASP CA C 13 54.400 0.0 . 1 . . . . 38 ASP CA . 18867 1 179 . 1 1 38 38 ASP CB C 13 41.000 . . 1 . . . . 38 ASP CB . 18867 1 180 . 1 1 38 38 ASP N N 15 121.221 0.017 . 1 . . . . 38 ASP N . 18867 1 181 . 1 1 39 39 ILE H H 1 8.093 0.001 . 1 . . . . 39 ILE H . 18867 1 182 . 1 1 39 39 ILE C C 13 177.069 0.008 . 1 . . . . 39 ILE C . 18867 1 183 . 1 1 39 39 ILE CA C 13 62.193 0.01 . 1 . . . . 39 ILE CA . 18867 1 184 . 1 1 39 39 ILE CB C 13 38.500 0.0 . 1 . . . . 39 ILE CB . 18867 1 185 . 1 1 39 39 ILE N N 15 121.215 0.019 . 1 . . . . 39 ILE N . 18867 1 186 . 1 1 40 40 SER H H 1 8.333 0.001 . 1 . . . . 40 SER H . 18867 1 187 . 1 1 40 40 SER C C 13 175.253 0.0 . 1 . . . . 40 SER C . 18867 1 188 . 1 1 40 40 SER CA C 13 59.400 0.0 . 1 . . . . 40 SER CA . 18867 1 189 . 1 1 40 40 SER CB C 13 63.500 . . 1 . . . . 40 SER CB . 18867 1 190 . 1 1 40 40 SER N N 15 118.187 0.03 . 1 . . . . 40 SER N . 18867 1 191 . 1 1 41 41 ARG H H 1 8.042 0.001 . 1 . . . . 41 ARG H . 18867 1 192 . 1 1 41 41 ARG C C 13 177.007 0.01 . 1 . . . . 41 ARG C . 18867 1 193 . 1 1 41 41 ARG CA C 13 56.700 0.0 . 1 . . . . 41 ARG CA . 18867 1 194 . 1 1 41 41 ARG CB C 13 30.400 . . 1 . . . . 41 ARG CB . 18867 1 195 . 1 1 41 41 ARG N N 15 122.108 0.007 . 1 . . . . 41 ARG N . 18867 1 196 . 1 1 42 42 GLY H H 1 8.153 0.001 . 1 . . . . 42 GLY H . 18867 1 197 . 1 1 42 42 GLY C C 13 174.392 0.012 . 1 . . . . 42 GLY C . 18867 1 198 . 1 1 42 42 GLY CA C 13 45.500 . . 1 . . . . 42 GLY CA . 18867 1 199 . 1 1 42 42 GLY N N 15 108.492 0.028 . 1 . . . . 42 GLY N . 18867 1 200 . 1 1 43 43 LEU H H 1 8.033 0.003 . 1 . . . . 43 LEU H . 18867 1 201 . 1 1 43 43 LEU C C 13 177.692 0.011 . 1 . . . . 43 LEU C . 18867 1 202 . 1 1 43 43 LEU CA C 13 55.300 0.0 . 1 . . . . 43 LEU CA . 18867 1 203 . 1 1 43 43 LEU CB C 13 42.300 . . 1 . . . . 43 LEU CB . 18867 1 204 . 1 1 43 43 LEU N N 15 121.301 0.013 . 1 . . . . 43 LEU N . 18867 1 205 . 1 1 44 44 GLN H H 1 8.362 0.001 . 1 . . . . 44 GLN H . 18867 1 206 . 1 1 44 44 GLN C C 13 176.510 0.008 . 1 . . . . 44 GLN C . 18867 1 207 . 1 1 44 44 GLN CA C 13 56.200 0.0 . 1 . . . . 44 GLN CA . 18867 1 208 . 1 1 44 44 GLN CB C 13 29.300 0.0 . 1 . . . . 44 GLN CB . 18867 1 209 . 1 1 44 44 GLN N N 15 120.604 0.014 . 1 . . . . 44 GLN N . 18867 1 210 . 1 1 45 45 GLY H H 1 8.363 0.002 . 1 . . . . 45 GLY H . 18867 1 211 . 1 1 45 45 GLY C C 13 174.153 0.006 . 1 . . . . 45 GLY C . 18867 1 212 . 1 1 45 45 GLY CA C 13 45.400 . . 1 . . . . 45 GLY CA . 18867 1 213 . 1 1 45 45 GLY N N 15 109.724 0.017 . 1 . . . . 45 GLY N . 18867 1 214 . 1 1 46 46 THR H H 1 7.963 0.001 . 1 . . . . 46 THR H . 18867 1 215 . 1 1 46 46 THR C C 13 174.338 0.006 . 1 . . . . 46 THR C . 18867 1 216 . 1 1 46 46 THR CA C 13 61.800 0.0 . 1 . . . . 46 THR CA . 18867 1 217 . 1 1 46 46 THR CB C 13 70.100 . . 1 . . . . 46 THR CB . 18867 1 218 . 1 1 46 46 THR N N 15 113.398 0.019 . 1 . . . . 46 THR N . 18867 1 219 . 1 1 47 47 TYR H H 1 8.224 0.003 . 1 . . . . 47 TYR H . 18867 1 220 . 1 1 47 47 TYR C C 13 175.447 0.008 . 1 . . . . 47 TYR C . 18867 1 221 . 1 1 47 47 TYR CA C 13 58.000 . . 1 . . . . 47 TYR CA . 18867 1 222 . 1 1 47 47 TYR CB C 13 38.700 . . 1 . . . . 47 TYR CB . 18867 1 223 . 1 1 47 47 TYR N N 15 122.587 0.028 . 1 . . . . 47 TYR N . 18867 1 224 . 1 1 48 48 GLN H H 1 8.110 0.003 . 1 . . . . 48 GLN H . 18867 1 225 . 1 1 48 48 GLN C C 13 174.919 0.014 . 1 . . . . 48 GLN C . 18867 1 226 . 1 1 48 48 GLN CA C 13 55.496 0.006 . 1 . . . . 48 GLN CA . 18867 1 227 . 1 1 48 48 GLN CB C 13 29.900 . . 1 . . . . 48 GLN CB . 18867 1 228 . 1 1 48 48 GLN N N 15 122.283 0.03 . 1 . . . . 48 GLN N . 18867 1 229 . 1 1 49 49 ASP H H 1 8.302 0.0 . 1 . . . . 49 ASP H . 18867 1 230 . 1 1 49 49 ASP C C 13 176.511 0.016 . 1 . . . . 49 ASP C . 18867 1 231 . 1 1 49 49 ASP CA C 13 54.100 . . 1 . . . . 49 ASP CA . 18867 1 232 . 1 1 49 49 ASP CB C 13 41.200 . . 1 . . . . 49 ASP CB . 18867 1 233 . 1 1 49 49 ASP N N 15 122.113 0.023 . 1 . . . . 49 ASP N . 18867 1 234 . 1 1 50 50 VAL H H 1 8.151 0.001 . 1 . . . . 50 VAL H . 18867 1 235 . 1 1 50 50 VAL C C 13 176.993 0.006 . 1 . . . . 50 VAL C . 18867 1 236 . 1 1 50 50 VAL CA C 13 62.800 0.0 . 1 . . . . 50 VAL CA . 18867 1 237 . 1 1 50 50 VAL CB C 13 32.300 . . 1 . . . . 50 VAL CB . 18867 1 238 . 1 1 50 50 VAL N N 15 120.400 0.02 . 1 . . . . 50 VAL N . 18867 1 239 . 1 1 51 51 GLY H H 1 8.474 0.002 . 1 . . . . 51 GLY H . 18867 1 240 . 1 1 51 51 GLY C C 13 174.424 0.005 . 1 . . . . 51 GLY C . 18867 1 241 . 1 1 51 51 GLY CA C 13 45.511 0.01 . 1 . . . . 51 GLY CA . 18867 1 242 . 1 1 51 51 GLY N N 15 111.522 0.016 . 1 . . . . 51 GLY N . 18867 1 243 . 1 1 52 52 SER H H 1 8.080 0.002 . 1 . . . . 52 SER H . 18867 1 244 . 1 1 52 52 SER C C 13 174.503 0.003 . 1 . . . . 52 SER C . 18867 1 245 . 1 1 52 52 SER CA C 13 58.395 0.006 . 1 . . . . 52 SER CA . 18867 1 246 . 1 1 52 52 SER CB C 13 63.792 0.011 . 1 . . . . 52 SER CB . 18867 1 247 . 1 1 52 52 SER N N 15 115.391 0.014 . 1 . . . . 52 SER N . 18867 1 248 . 1 1 53 53 LEU H H 1 8.141 0.001 . 1 . . . . 53 LEU H . 18867 1 249 . 1 1 53 53 LEU C C 13 176.987 0.018 . 1 . . . . 53 LEU C . 18867 1 250 . 1 1 53 53 LEU CA C 13 55.284 0.005 . 1 . . . . 53 LEU CA . 18867 1 251 . 1 1 53 53 LEU CB C 13 42.500 . . 1 . . . . 53 LEU CB . 18867 1 252 . 1 1 53 53 LEU N N 15 123.393 0.022 . 1 . . . . 53 LEU N . 18867 1 253 . 1 1 54 54 ASN H H 1 8.422 0.001 . 1 . . . . 54 ASN H . 18867 1 254 . 1 1 54 54 ASN C C 13 175.193 0.01 . 1 . . . . 54 ASN C . 18867 1 255 . 1 1 54 54 ASN CA C 13 53.103 0.005 . 1 . . . . 54 ASN CA . 18867 1 256 . 1 1 54 54 ASN CB C 13 38.800 . . 1 . . . . 54 ASN CB . 18867 1 257 . 1 1 54 54 ASN N N 15 119.807 0.012 . 1 . . . . 54 ASN N . 18867 1 258 . 1 1 55 55 ILE H H 1 8.092 0.001 . 1 . . . . 55 ILE H . 18867 1 259 . 1 1 55 55 ILE C C 13 176.699 0.001 . 1 . . . . 55 ILE C . 18867 1 260 . 1 1 55 55 ILE CA C 13 61.594 0.008 . 1 . . . . 55 ILE CA . 18867 1 261 . 1 1 55 55 ILE CB C 13 38.600 . . 1 . . . . 55 ILE CB . 18867 1 262 . 1 1 55 55 ILE N N 15 121.004 0.025 . 1 . . . . 55 ILE N . 18867 1 263 . 1 1 56 56 GLY H H 1 8.401 0.001 . 1 . . . . 56 GLY H . 18867 1 264 . 1 1 56 56 GLY C C 13 173.811 0.016 . 1 . . . . 56 GLY C . 18867 1 265 . 1 1 56 56 GLY CA C 13 45.200 0.005 . 1 . . . . 56 GLY CA . 18867 1 266 . 1 1 56 56 GLY N N 15 112.015 0.012 . 1 . . . . 56 GLY N . 18867 1 267 . 1 1 57 57 ASP H H 1 8.151 0.001 . 1 . . . . 57 ASP H . 18867 1 268 . 1 1 57 57 ASP C C 13 176.388 0.016 . 1 . . . . 57 ASP C . 18867 1 269 . 1 1 57 57 ASP CA C 13 54.298 0.002 . 1 . . . . 57 ASP CA . 18867 1 270 . 1 1 57 57 ASP CB C 13 41.100 . . 1 . . . . 57 ASP CB . 18867 1 271 . 1 1 57 57 ASP N N 15 120.622 0.02 . 1 . . . . 57 ASP N . 18867 1 272 . 1 1 58 58 VAL H H 1 8.030 0.002 . 1 . . . . 58 VAL H . 18867 1 273 . 1 1 58 58 VAL C C 13 176.088 0.017 . 1 . . . . 58 VAL C . 18867 1 274 . 1 1 58 58 VAL CA C 13 62.415 0.022 . 1 . . . . 58 VAL CA . 18867 1 275 . 1 1 58 58 VAL CB C 13 32.790 0.014 . 1 . . . . 58 VAL CB . 18867 1 276 . 1 1 58 58 VAL N N 15 120.415 0.024 . 1 . . . . 58 VAL N . 18867 1 277 . 1 1 59 59 GLN H H 1 8.453 0.002 . 1 . . . . 59 GLN H . 18867 1 278 . 1 1 59 59 GLN C C 13 175.702 0.002 . 1 . . . . 59 GLN C . 18867 1 279 . 1 1 59 59 GLN CA C 13 55.518 0.026 . 1 . . . . 59 GLN CA . 18867 1 280 . 1 1 59 59 GLN CB C 13 29.315 0.019 . 1 . . . . 59 GLN CB . 18867 1 281 . 1 1 59 59 GLN N N 15 124.198 0.022 . 1 . . . . 59 GLN N . 18867 1 282 . 1 1 60 60 LEU H H 1 8.233 0.001 . 1 . . . . 60 LEU H . 18867 1 283 . 1 1 60 60 LEU C C 13 177.212 0.016 . 1 . . . . 60 LEU C . 18867 1 284 . 1 1 60 60 LEU CA C 13 55.095 0.007 . 1 . . . . 60 LEU CA . 18867 1 285 . 1 1 60 60 LEU CB C 13 42.595 0.007 . 1 . . . . 60 LEU CB . 18867 1 286 . 1 1 60 60 LEU N N 15 124.008 0.013 . 1 . . . . 60 LEU N . 18867 1 287 . 1 1 61 61 GLU H H 1 8.320 0.002 . 1 . . . . 61 GLU H . 18867 1 288 . 1 1 61 61 GLU C C 13 175.855 0.012 . 1 . . . . 61 GLU C . 18867 1 289 . 1 1 61 61 GLU CA C 13 56.300 0.0 . 1 . . . . 61 GLU CA . 18867 1 290 . 1 1 61 61 GLU CB C 13 30.195 0.007 . 1 . . . . 61 GLU CB . 18867 1 291 . 1 1 61 61 GLU N N 15 121.699 0.018 . 1 . . . . 61 GLU N . 18867 1 292 . 1 1 62 62 LYS H H 1 8.289 0.003 . 1 . . . . 62 LYS H . 18867 1 293 . 1 1 62 62 LYS CA C 13 53.965 . . 1 . . . . 62 LYS CA . 18867 1 294 . 1 1 62 62 LYS CB C 13 32.599 . . 1 . . . . 62 LYS CB . 18867 1 295 . 1 1 62 62 LYS N N 15 124.193 0.023 . 1 . . . . 62 LYS N . 18867 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18867 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal _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' 2 $Denatured isotropic 18867 2 2 '3D HN(ca)CO' 2 $Denatured isotropic 18867 2 3 '3D HNCA' 2 $Denatured isotropic 18867 2 4 '3D HNCACB' 2 $Denatured isotropic 18867 2 5 '3D HNCO' 2 $Denatured isotropic 18867 2 6 '3D HN(CO)CA' 2 $Denatured isotropic 18867 2 7 '3D HN(COCA)CB' 2 $Denatured isotropic 18867 2 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 . 2 1 2 2 LEU C C 13 177.000 . . 1 . 1087 . . 2 LEU C . 18867 2 2 . 2 1 2 2 LEU CA C 13 55.200 . . 1 . 1088 . . 2 LEU CA . 18867 2 3 . 2 1 2 2 LEU CB C 13 42.581 0.001 . 1 . 1089 . . 2 LEU CB . 18867 2 4 . 2 1 3 3 ARG H H 1 8.426 0.004 . 1 . 1085 . . 3 ARG H . 18867 2 5 . 2 1 3 3 ARG C C 13 176.100 0.0 . 1 . 1090 . . 3 ARG C . 18867 2 6 . 2 1 3 3 ARG CA C 13 56.005 0.015 . 1 . 1091 . . 3 ARG CA . 18867 2 7 . 2 1 3 3 ARG CB C 13 30.991 0.036 . 1 . 1092 . . 3 ARG CB . 18867 2 8 . 2 1 3 3 ARG N N 15 122.281 0.028 . 1 . 1086 . . 3 ARG N . 18867 2 9 . 2 1 4 4 LYS H H 1 8.340 0.006 . 1 . 1093 . . 4 LYS H . 18867 2 10 . 2 1 4 4 LYS C C 13 176.403 0.003 . 1 . 1095 . . 4 LYS C . 18867 2 11 . 2 1 4 4 LYS CA C 13 56.186 0.02 . 1 . 1096 . . 4 LYS CA . 18867 2 12 . 2 1 4 4 LYS CB C 13 33.203 0.004 . 1 . 1097 . . 4 LYS CB . 18867 2 13 . 2 1 4 4 LYS N N 15 123.094 0.016 . 1 . 1094 . . 4 LYS N . 18867 2 14 . 2 1 5 5 ARG H H 1 8.367 0.004 . 1 . 1098 . . 5 ARG H . 18867 2 15 . 2 1 5 5 ARG C C 13 176.100 0.0 . 1 . 1100 . . 5 ARG C . 18867 2 16 . 2 1 5 5 ARG CA C 13 56.306 0.043 . 1 . 1101 . . 5 ARG CA . 18867 2 17 . 2 1 5 5 ARG CB C 13 30.930 0.042 . 1 . 1102 . . 5 ARG CB . 18867 2 18 . 2 1 5 5 ARG N N 15 122.278 0.022 . 1 . 1099 . . 5 ARG N . 18867 2 19 . 2 1 6 6 TRP H H 1 8.177 0.004 . 1 . 1103 . . 6 TRP H . 18867 2 20 . 2 1 6 6 TRP C C 13 176.190 0.015 . 1 . 1109 . . 6 TRP C . 18867 2 21 . 2 1 6 6 TRP CA C 13 57.200 0.0 . 1 . 1105 . . 6 TRP CA . 18867 2 22 . 2 1 6 6 TRP CB C 13 29.584 0.013 . 1 . 1106 . . 6 TRP CB . 18867 2 23 . 2 1 6 6 TRP N N 15 121.584 0.029 . 1 . 1104 . . 6 TRP N . 18867 2 24 . 2 1 7 7 GLN H H 1 8.227 0.004 . 1 . 1107 . . 7 GLN H . 18867 2 25 . 2 1 7 7 GLN C C 13 175.417 0.024 . 1 . 1110 . . 7 GLN C . 18867 2 26 . 2 1 7 7 GLN CA C 13 56.199 0.001 . 1 . 1111 . . 7 GLN CA . 18867 2 27 . 2 1 7 7 GLN CB C 13 29.470 0.022 . 1 . 1112 . . 7 GLN CB . 18867 2 28 . 2 1 7 7 GLN N N 15 121.229 0.02 . 1 . 1108 . . 7 GLN N . 18867 2 29 . 2 1 8 8 ASN H H 1 8.209 0.005 . 1 . 1113 . . 8 ASN H . 18867 2 30 . 2 1 8 8 ASN C C 13 175.200 0.0 . 1 . 1119 . . 8 ASN C . 18867 2 31 . 2 1 8 8 ASN CA C 13 53.463 0.052 . 1 . 1115 . . 8 ASN CA . 18867 2 32 . 2 1 8 8 ASN CB C 13 38.794 0.007 . 1 . 1116 . . 8 ASN CB . 18867 2 33 . 2 1 8 8 ASN N N 15 118.594 0.014 . 1 . 1114 . . 8 ASN N . 18867 2 34 . 2 1 9 9 GLU H H 1 8.355 0.003 . 1 . 1117 . . 9 GLU H . 18867 2 35 . 2 1 9 9 GLU C C 13 176.374 0.019 . 1 . 1120 . . 9 GLU C . 18867 2 36 . 2 1 9 9 GLU CA C 13 57.100 . . 1 . 1121 . . 9 GLU CA . 18867 2 37 . 2 1 9 9 GLU CB C 13 30.283 0.012 . 1 . 1122 . . 9 GLU CB . 18867 2 38 . 2 1 9 9 GLU N N 15 120.830 0.015 . 1 . 1118 . . 9 GLU N . 18867 2 39 . 2 1 10 10 LYS H H 1 8.205 0.003 . 1 . 1123 . . 10 LYS H . 18867 2 40 . 2 1 10 10 LYS C C 13 176.381 0.019 . 1 . 1125 . . 10 LYS C . 18867 2 41 . 2 1 10 10 LYS CA C 13 56.405 . . 1 . 1126 . . 10 LYS CA . 18867 2 42 . 2 1 10 10 LYS CB C 13 32.800 . . 1 . 1127 . . 10 LYS CB . 18867 2 43 . 2 1 10 10 LYS N N 15 121.119 0.008 . 1 . 1124 . . 10 LYS N . 18867 2 44 . 2 1 11 11 LEU H H 1 8.070 0.004 . 1 . 1128 . . 11 LEU H . 18867 2 45 . 2 1 11 11 LEU C C 13 177.690 0.015 . 1 . 1130 . . 11 LEU C . 18867 2 46 . 2 1 11 11 LEU CA C 13 55.200 0.0 . 1 . 1131 . . 11 LEU CA . 18867 2 47 . 2 1 11 11 LEU CB C 13 42.600 0.001 . 1 . 1132 . . 11 LEU CB . 18867 2 48 . 2 1 11 11 LEU N N 15 122.219 0.008 . 1 . 1129 . . 11 LEU N . 18867 2 49 . 2 1 12 12 GLY H H 1 8.246 0.004 . 1 . 1133 . . 12 GLY H . 18867 2 50 . 2 1 12 12 GLY C C 13 174.032 0.023 . 1 . 1135 . . 12 GLY C . 18867 2 51 . 2 1 12 12 GLY CA C 13 45.300 0.0 . 1 . 1136 . . 12 GLY CA . 18867 2 52 . 2 1 12 12 GLY N N 15 108.929 0.018 . 1 . 1134 . . 12 GLY N . 18867 2 53 . 2 1 13 13 LEU H H 1 8.009 0.005 . 1 . 1137 . . 13 LEU H . 18867 2 54 . 2 1 13 13 LEU C C 13 177.124 0.018 . 1 . 1139 . . 13 LEU C . 18867 2 55 . 2 1 13 13 LEU CA C 13 55.200 0.0 . 1 . 1140 . . 13 LEU CA . 18867 2 56 . 2 1 13 13 LEU CB C 13 42.522 0.016 . 1 . 1141 . . 13 LEU CB . 18867 2 57 . 2 1 13 13 LEU N N 15 120.937 0.028 . 1 . 1138 . . 13 LEU N . 18867 2 58 . 2 1 14 14 ASP H H 1 8.349 0.005 . 1 . 1142 . . 14 ASP H . 18867 2 59 . 2 1 14 14 ASP C C 13 175.890 0.01 . 1 . 1144 . . 14 ASP C . 18867 2 60 . 2 1 14 14 ASP CA C 13 54.200 0.0 . 1 . 1145 . . 14 ASP CA . 18867 2 61 . 2 1 14 14 ASP CB C 13 41.315 0.005 . 1 . 1146 . . 14 ASP CB . 18867 2 62 . 2 1 14 14 ASP N N 15 120.335 0.019 . 1 . 1143 . . 14 ASP N . 18867 2 63 . 2 1 15 15 ALA H H 1 8.100 0.004 . 1 . 1147 . . 15 ALA H . 18867 2 64 . 2 1 15 15 ALA C C 13 178.038 0.004 . 1 . 1149 . . 15 ALA C . 18867 2 65 . 2 1 15 15 ALA CA C 13 52.800 0.0 . 1 . 1150 . . 15 ALA CA . 18867 2 66 . 2 1 15 15 ALA CB C 13 19.411 0.008 . 1 . 1151 . . 15 ALA CB . 18867 2 67 . 2 1 15 15 ALA N N 15 123.692 0.02 . 1 . 1148 . . 15 ALA N . 18867 2 68 . 2 1 16 16 GLY H H 1 8.286 0.004 . 1 . 1152 . . 16 GLY H . 18867 2 69 . 2 1 16 16 GLY C C 13 173.891 0.009 . 1 . 1154 . . 16 GLY C . 18867 2 70 . 2 1 16 16 GLY CA C 13 45.293 0.01 . 1 . 1155 . . 16 GLY CA . 18867 2 71 . 2 1 16 16 GLY N N 15 107.420 0.002 . 1 . 1153 . . 16 GLY N . 18867 2 72 . 2 1 17 17 ASP H H 1 8.098 0.005 . 1 . 1156 . . 17 ASP H . 18867 2 73 . 2 1 17 17 ASP C C 13 176.182 0.013 . 1 . 1158 . . 17 ASP C . 18867 2 74 . 2 1 17 17 ASP CA C 13 54.300 0.0 . 1 . 1159 . . 17 ASP CA . 18867 2 75 . 2 1 17 17 ASP CB C 13 41.515 0.015 . 1 . 1160 . . 17 ASP CB . 18867 2 76 . 2 1 17 17 ASP N N 15 119.829 0.025 . 1 . 1157 . . 17 ASP N . 18867 2 77 . 2 1 18 18 GLU H H 1 8.325 0.005 . 1 . 1161 . . 18 GLU H . 18867 2 78 . 2 1 18 18 GLU C C 13 175.956 0.006 . 1 . 1163 . . 18 GLU C . 18867 2 79 . 2 1 18 18 GLU CA C 13 56.602 0.003 . 1 . 1164 . . 18 GLU CA . 18867 2 80 . 2 1 18 18 GLU CB C 13 30.394 0.013 . 1 . 1165 . . 18 GLU CB . 18867 2 81 . 2 1 18 18 GLU N N 15 120.117 0.003 . 1 . 1162 . . 18 GLU N . 18867 2 82 . 2 1 19 19 TYR H H 1 8.124 0.005 . 1 . 1166 . . 19 TYR H . 18867 2 83 . 2 1 19 19 TYR C C 13 175.589 0.016 . 1 . 1168 . . 19 TYR C . 18867 2 84 . 2 1 19 19 TYR CA C 13 57.802 0.002 . 1 . 1169 . . 19 TYR CA . 18867 2 85 . 2 1 19 19 TYR CB C 13 39.099 0.014 . 1 . 1170 . . 19 TYR CB . 18867 2 86 . 2 1 19 19 TYR N N 15 120.393 0.011 . 1 . 1167 . . 19 TYR N . 18867 2 87 . 2 1 20 20 GLU H H 1 8.176 0.004 . 1 . 1171 . . 20 GLU H . 18867 2 88 . 2 1 20 20 GLU C C 13 175.620 0.014 . 1 . 1177 . . 20 GLU C . 18867 2 89 . 2 1 20 20 GLU CA C 13 56.200 0.0 . 1 . 1173 . . 20 GLU CA . 18867 2 90 . 2 1 20 20 GLU CB C 13 30.700 0.0 . 1 . 1174 . . 20 GLU CB . 18867 2 91 . 2 1 20 20 GLU N N 15 122.310 0.009 . 1 . 1172 . . 20 GLU N . 18867 2 92 . 2 1 21 21 ASP H H 1 8.249 0.003 . 1 . 1175 . . 21 ASP H . 18867 2 93 . 2 1 21 21 ASP C C 13 176.344 . . 1 . 1178 . . 21 ASP C . 18867 2 94 . 2 1 21 21 ASP CA C 13 54.300 0.0 . 1 . 1179 . . 21 ASP CA . 18867 2 95 . 2 1 21 21 ASP CB C 13 41.496 0.009 . 1 . 1180 . . 21 ASP CB . 18867 2 96 . 2 1 21 21 ASP N N 15 121.527 0.017 . 1 . 1176 . . 21 ASP N . 18867 2 97 . 2 1 22 22 GLU H H 1 8.409 0.003 . 1 . 1181 . . 22 GLU H . 18867 2 98 . 2 1 22 22 GLU C C 13 176.327 0.014 . 1 . 1183 . . 22 GLU C . 18867 2 99 . 2 1 22 22 GLU CA C 13 56.978 0.009 . 1 . 1184 . . 22 GLU CA . 18867 2 100 . 2 1 22 22 GLU CB C 13 30.288 0.023 . 1 . 1185 . . 22 GLU CB . 18867 2 101 . 2 1 22 22 GLU N N 15 121.606 0.012 . 1 . 1182 . . 22 GLU N . 18867 2 102 . 2 1 23 23 ASN H H 1 8.452 0.004 . 1 . 1186 . . 23 ASN H . 18867 2 103 . 2 1 23 23 ASN C C 13 175.124 0.017 . 1 . 1188 . . 23 ASN C . 18867 2 104 . 2 1 23 23 ASN CA C 13 53.390 0.014 . 1 . 1189 . . 23 ASN CA . 18867 2 105 . 2 1 23 23 ASN CB C 13 38.789 0.01 . 1 . 1190 . . 23 ASN CB . 18867 2 106 . 2 1 23 23 ASN N N 15 118.945 0.011 . 1 . 1187 . . 23 ASN N . 18867 2 107 . 2 1 24 24 LEU H H 1 7.947 0.004 . 1 . 1191 . . 24 LEU H . 18867 2 108 . 2 1 24 24 LEU C C 13 177.000 . . 1 . 1193 . . 24 LEU C . 18867 2 109 . 2 1 24 24 LEU CA C 13 55.453 0.014 . 1 . 1194 . . 24 LEU CA . 18867 2 110 . 2 1 24 24 LEU CB C 13 42.256 0.037 . 1 . 1195 . . 24 LEU CB . 18867 2 111 . 2 1 24 24 LEU N N 15 121.727 0.008 . 1 . 1192 . . 24 LEU N . 18867 2 112 . 2 1 25 25 TYR H H 1 8.034 0.004 . 1 . 1196 . . 25 TYR H . 18867 2 113 . 2 1 25 25 TYR C C 13 175.800 0.0 . 1 . 1198 . . 25 TYR C . 18867 2 114 . 2 1 25 25 TYR CA C 13 57.800 0.0 . 1 . 1199 . . 25 TYR CA . 18867 2 115 . 2 1 25 25 TYR CB C 13 38.600 . . 1 . 1200 . . 25 TYR CB . 18867 2 116 . 2 1 25 25 TYR N N 15 119.625 0.017 . 1 . 1197 . . 25 TYR N . 18867 2 117 . 2 1 26 26 GLU H H 1 8.137 0.004 . 1 . 1201 . . 26 GLU H . 18867 2 118 . 2 1 26 26 GLU C C 13 176.600 0.0 . 1 . 1203 . . 26 GLU C . 18867 2 119 . 2 1 26 26 GLU CA C 13 56.700 0.0 . 1 . 1204 . . 26 GLU CA . 18867 2 120 . 2 1 26 26 GLU CB C 13 30.500 . . 1 . 1205 . . 26 GLU CB . 18867 2 121 . 2 1 26 26 GLU N N 15 122.312 0.011 . 1 . 1202 . . 26 GLU N . 18867 2 122 . 2 1 27 27 GLY H H 1 7.927 0.004 . 1 . 1206 . . 27 GLY H . 18867 2 123 . 2 1 27 27 GLY C C 13 173.703 0.003 . 1 . 1208 . . 27 GLY C . 18867 2 124 . 2 1 27 27 GLY CA C 13 45.299 0.002 . 1 . 1209 . . 27 GLY CA . 18867 2 125 . 2 1 27 27 GLY N N 15 109.013 0.01 . 1 . 1207 . . 27 GLY N . 18867 2 126 . 2 1 28 28 LEU H H 1 7.920 0.003 . 1 . 1210 . . 28 LEU H . 18867 2 127 . 2 1 28 28 LEU C C 13 176.804 0.001 . 1 . 1212 . . 28 LEU C . 18867 2 128 . 2 1 28 28 LEU CA C 13 55.000 . . 1 . 1213 . . 28 LEU CA . 18867 2 129 . 2 1 28 28 LEU CB C 13 42.800 0.0 . 1 . 1214 . . 28 LEU CB . 18867 2 130 . 2 1 28 28 LEU N N 15 120.642 0.023 . 1 . 1211 . . 28 LEU N . 18867 2 131 . 2 1 29 29 ASN H H 1 8.518 0.004 . 1 . 1215 . . 29 ASN H . 18867 2 132 . 2 1 29 29 ASN C C 13 175.203 0.0 . 1 . 1217 . . 29 ASN C . 18867 2 133 . 2 1 29 29 ASN CA C 13 53.008 0.007 . 1 . 1218 . . 29 ASN CA . 18867 2 134 . 2 1 29 29 ASN CB C 13 38.685 0.013 . 1 . 1219 . . 29 ASN CB . 18867 2 135 . 2 1 29 29 ASN N N 15 119.808 0.012 . 1 . 1216 . . 29 ASN N . 18867 2 136 . 2 1 30 30 LEU H H 1 8.228 0.004 . 1 . 1220 . . 30 LEU H . 18867 2 137 . 2 1 30 30 LEU C C 13 177.202 0.003 . 1 . 1222 . . 30 LEU C . 18867 2 138 . 2 1 30 30 LEU CA C 13 55.400 . . 1 . 1223 . . 30 LEU CA . 18867 2 139 . 2 1 30 30 LEU CB C 13 42.200 . . 1 . 1224 . . 30 LEU CB . 18867 2 140 . 2 1 30 30 LEU N N 15 122.904 0.007 . 1 . 1221 . . 30 LEU N . 18867 2 141 . 2 1 31 31 ASP H H 1 8.218 0.005 . 1 . 1225 . . 31 ASP H . 18867 2 142 . 2 1 31 31 ASP C C 13 176.087 0.018 . 1 . 1231 . . 31 ASP C . 18867 2 143 . 2 1 31 31 ASP CA C 13 54.593 0.009 . 1 . 1227 . . 31 ASP CA . 18867 2 144 . 2 1 31 31 ASP CB C 13 41.212 0.017 . 1 . 1228 . . 31 ASP CB . 18867 2 145 . 2 1 31 31 ASP N N 15 119.911 0.009 . 1 . 1226 . . 31 ASP N . 18867 2 146 . 2 1 32 32 ASP H H 1 8.087 0.004 . 1 . 1229 . . 32 ASP H . 18867 2 147 . 2 1 32 32 ASP C C 13 176.488 0.017 . 1 . 1232 . . 32 ASP C . 18867 2 148 . 2 1 32 32 ASP CA C 13 54.479 0.029 . 1 . 1233 . . 32 ASP CA . 18867 2 149 . 2 1 32 32 ASP CB C 13 41.283 0.017 . 1 . 1234 . . 32 ASP CB . 18867 2 150 . 2 1 32 32 ASP N N 15 120.010 0.004 . 1 . 1230 . . 32 ASP N . 18867 2 151 . 2 1 33 33 CYS H H 1 8.250 0.004 . 1 . 1235 . . 33 CYS H . 18867 2 152 . 2 1 33 33 CYS C C 13 175.013 0.011 . 1 . 1237 . . 33 CYS C . 18867 2 153 . 2 1 33 33 CYS CA C 13 58.908 0.003 . 1 . 1238 . . 33 CYS CA . 18867 2 154 . 2 1 33 33 CYS CB C 13 27.998 0.001 . 1 . 1239 . . 33 CYS CB . 18867 2 155 . 2 1 33 33 CYS N N 15 119.207 0.008 . 1 . 1236 . . 33 CYS N . 18867 2 156 . 2 1 34 34 SER H H 1 8.354 0.003 . 1 . 463 . . 34 SER H . 18867 2 157 . 2 1 34 34 SER C C 13 174.700 0.0 . 1 . 1240 . . 34 SER C . 18867 2 158 . 2 1 34 34 SER CA C 13 59.240 0.049 . 1 . 1241 . . 34 SER CA . 18867 2 159 . 2 1 34 34 SER CB C 13 63.606 0.009 . 1 . 1242 . . 34 SER CB . 18867 2 160 . 2 1 34 34 SER N N 15 117.718 0.004 . 1 . 464 . . 34 SER N . 18867 2 161 . 2 1 35 35 MET H H 1 8.138 0.004 . 1 . 1243 . . 35 MET H . 18867 2 162 . 2 1 35 35 MET C C 13 175.809 0.007 . 1 . 1245 . . 35 MET C . 18867 2 163 . 2 1 35 35 MET CA C 13 55.931 0.024 . 1 . 1246 . . 35 MET CA . 18867 2 164 . 2 1 35 35 MET CB C 13 32.617 0.013 . 1 . 1247 . . 35 MET CB . 18867 2 165 . 2 1 35 35 MET N N 15 121.031 0.018 . 1 . 1244 . . 35 MET N . 18867 2 166 . 2 1 36 36 TYR H H 1 7.940 0.004 . 1 . 1248 . . 36 TYR H . 18867 2 167 . 2 1 36 36 TYR C C 13 175.694 0.008 . 1 . 1254 . . 36 TYR C . 18867 2 168 . 2 1 36 36 TYR CA C 13 57.884 0.023 . 1 . 1250 . . 36 TYR CA . 18867 2 169 . 2 1 36 36 TYR CB C 13 38.803 0.005 . 1 . 1251 . . 36 TYR CB . 18867 2 170 . 2 1 36 36 TYR N N 15 120.048 0.017 . 1 . 1249 . . 36 TYR N . 18867 2 171 . 2 1 37 37 GLU H H 1 8.117 0.004 . 1 . 1252 . . 37 GLU H . 18867 2 172 . 2 1 37 37 GLU C C 13 175.787 0.019 . 1 . 1259 . . 37 GLU C . 18867 2 173 . 2 1 37 37 GLU CA C 13 56.494 0.009 . 1 . 1255 . . 37 GLU CA . 18867 2 174 . 2 1 37 37 GLU CB C 13 30.700 0.0 . 1 . 1256 . . 37 GLU CB . 18867 2 175 . 2 1 37 37 GLU N N 15 121.728 0.024 . 1 . 1253 . . 37 GLU N . 18867 2 176 . 2 1 38 38 ASP H H 1 8.296 0.004 . 1 . 1257 . . 38 ASP H . 18867 2 177 . 2 1 38 38 ASP C C 13 176.791 0.009 . 1 . 1260 . . 38 ASP C . 18867 2 178 . 2 1 38 38 ASP CA C 13 54.164 0.051 . 1 . 1261 . . 38 ASP CA . 18867 2 179 . 2 1 38 38 ASP CB C 13 41.206 0.026 . 1 . 1262 . . 38 ASP CB . 18867 2 180 . 2 1 38 38 ASP N N 15 121.422 0.008 . 1 . 1258 . . 38 ASP N . 18867 2 181 . 2 1 39 39 ILE H H 1 8.026 0.004 . 1 . 1263 . . 39 ILE H . 18867 2 182 . 2 1 39 39 ILE C C 13 176.715 0.011 . 1 . 1265 . . 39 ILE C . 18867 2 183 . 2 1 39 39 ILE CA C 13 61.800 0.0 . 1 . 1266 . . 39 ILE CA . 18867 2 184 . 2 1 39 39 ILE CB C 13 38.656 0.045 . 1 . 1267 . . 39 ILE CB . 18867 2 185 . 2 1 39 39 ILE N N 15 120.803 0.014 . 1 . 1264 . . 39 ILE N . 18867 2 186 . 2 1 40 40 SER H H 1 8.305 0.004 . 1 . 1268 . . 40 SER H . 18867 2 187 . 2 1 40 40 SER C C 13 175.024 0.017 . 1 . 1270 . . 40 SER C . 18867 2 188 . 2 1 40 40 SER CA C 13 59.192 0.011 . 1 . 1271 . . 40 SER CA . 18867 2 189 . 2 1 40 40 SER CB C 13 63.596 0.018 . 1 . 1272 . . 40 SER CB . 18867 2 190 . 2 1 40 40 SER N N 15 118.114 0.003 . 1 . 1269 . . 40 SER N . 18867 2 191 . 2 1 41 41 ARG H H 1 8.056 0.004 . 1 . 1273 . . 41 ARG H . 18867 2 192 . 2 1 41 41 ARG C C 13 176.797 0.002 . 1 . 1275 . . 41 ARG C . 18867 2 193 . 2 1 41 41 ARG CA C 13 56.503 0.0 . 1 . 1276 . . 41 ARG CA . 18867 2 194 . 2 1 41 41 ARG CB C 13 30.614 0.02 . 1 . 1277 . . 41 ARG CB . 18867 2 195 . 2 1 41 41 ARG N N 15 122.038 0.025 . 1 . 1274 . . 41 ARG N . 18867 2 196 . 2 1 42 42 GLY H H 1 8.146 0.004 . 1 . 1278 . . 42 GLY H . 18867 2 197 . 2 1 42 42 GLY C C 13 174.133 0.025 . 1 . 1280 . . 42 GLY C . 18867 2 198 . 2 1 42 42 GLY CA C 13 45.300 0.0 . 1 . 1281 . . 42 GLY CA . 18867 2 199 . 2 1 42 42 GLY N N 15 108.318 0.005 . 1 . 1279 . . 42 GLY N . 18867 2 200 . 2 1 43 43 LEU H H 1 8.005 0.005 . 1 . 1282 . . 43 LEU H . 18867 2 201 . 2 1 43 43 LEU C C 13 177.579 0.016 . 1 . 1284 . . 43 LEU C . 18867 2 202 . 2 1 43 43 LEU CA C 13 55.211 0.016 . 1 . 1285 . . 43 LEU CA . 18867 2 203 . 2 1 43 43 LEU CB C 13 42.323 0.026 . 1 . 1286 . . 43 LEU CB . 18867 2 204 . 2 1 43 43 LEU N N 15 121.006 0.04 . 1 . 1283 . . 43 LEU N . 18867 2 205 . 2 1 44 44 GLN H H 1 8.375 0.004 . 1 . 1287 . . 44 GLN H . 18867 2 206 . 2 1 44 44 GLN C C 13 176.488 0.016 . 1 . 1289 . . 44 GLN C . 18867 2 207 . 2 1 44 44 GLN CA C 13 56.100 0.0 . 1 . 1290 . . 44 GLN CA . 18867 2 208 . 2 1 44 44 GLN CB C 13 29.501 0.001 . 1 . 1291 . . 44 GLN CB . 18867 2 209 . 2 1 44 44 GLN N N 15 120.597 0.021 . 1 . 1288 . . 44 GLN N . 18867 2 210 . 2 1 45 45 GLY H H 1 8.327 0.004 . 1 . 1292 . . 45 GLY H . 18867 2 211 . 2 1 45 45 GLY C C 13 174.016 0.022 . 1 . 1294 . . 45 GLY C . 18867 2 212 . 2 1 45 45 GLY CA C 13 45.300 0.007 . 1 . 1295 . . 45 GLY CA . 18867 2 213 . 2 1 45 45 GLY N N 15 109.524 0.015 . 1 . 1293 . . 45 GLY N . 18867 2 214 . 2 1 46 46 THR H H 1 7.935 0.003 . 1 . 1296 . . 46 THR H . 18867 2 215 . 2 1 46 46 THR C C 13 174.308 0.011 . 1 . 1298 . . 46 THR C . 18867 2 216 . 2 1 46 46 THR CA C 13 61.704 0.006 . 1 . 1299 . . 46 THR CA . 18867 2 217 . 2 1 46 46 THR CB C 13 70.107 0.01 . 1 . 1300 . . 46 THR CB . 18867 2 218 . 2 1 46 46 THR N N 15 112.902 0.014 . 1 . 1297 . . 46 THR N . 18867 2 219 . 2 1 47 47 TYR H H 1 8.206 0.006 . 1 . 1301 . . 47 TYR H . 18867 2 220 . 2 1 47 47 TYR C C 13 175.426 0.019 . 1 . 1303 . . 47 TYR C . 18867 2 221 . 2 1 47 47 TYR CA C 13 58.100 . . 1 . 1304 . . 47 TYR CA . 18867 2 222 . 2 1 47 47 TYR CB C 13 38.800 . . 1 . 1305 . . 47 TYR CB . 18867 2 223 . 2 1 47 47 TYR N N 15 122.217 0.002 . 1 . 1302 . . 47 TYR N . 18867 2 224 . 2 1 48 48 GLN H H 1 8.116 0.004 . 1 . 1306 . . 48 GLN H . 18867 2 225 . 2 1 48 48 GLN C C 13 174.988 0.016 . 1 . 1308 . . 48 GLN C . 18867 2 226 . 2 1 48 48 GLN CA C 13 55.502 0.003 . 1 . 1309 . . 48 GLN CA . 18867 2 227 . 2 1 48 48 GLN CB C 13 30.000 . . 1 . 1310 . . 48 GLN CB . 18867 2 228 . 2 1 48 48 GLN N N 15 122.006 0.016 . 1 . 1307 . . 48 GLN N . 18867 2 229 . 2 1 49 49 ASP H H 1 8.266 0.005 . 1 . 1311 . . 49 ASP H . 18867 2 230 . 2 1 49 49 ASP C C 13 176.470 0.022 . 1 . 1313 . . 49 ASP C . 18867 2 231 . 2 1 49 49 ASP CA C 13 54.128 0.028 . 1 . 1314 . . 49 ASP CA . 18867 2 232 . 2 1 49 49 ASP CB C 13 41.377 0.032 . 1 . 1315 . . 49 ASP CB . 18867 2 233 . 2 1 49 49 ASP N N 15 121.917 0.006 . 1 . 1312 . . 49 ASP N . 18867 2 234 . 2 1 50 50 VAL H H 1 8.066 0.004 . 1 . 1316 . . 50 VAL H . 18867 2 235 . 2 1 50 50 VAL C C 13 176.797 0.004 . 1 . 1318 . . 50 VAL C . 18867 2 236 . 2 1 50 50 VAL CA C 13 62.593 0.006 . 1 . 1319 . . 50 VAL CA . 18867 2 237 . 2 1 50 50 VAL CB C 13 32.510 0.008 . 1 . 1320 . . 50 VAL CB . 18867 2 238 . 2 1 50 50 VAL N N 15 119.685 0.021 . 1 . 1317 . . 50 VAL N . 18867 2 239 . 2 1 51 51 GLY H H 1 8.368 0.005 . 1 . 1321 . . 51 GLY H . 18867 2 240 . 2 1 51 51 GLY C C 13 174.232 0.024 . 1 . 1323 . . 51 GLY C . 18867 2 241 . 2 1 51 51 GLY CA C 13 45.421 0.006 . 1 . 1324 . . 51 GLY CA . 18867 2 242 . 2 1 51 51 GLY N N 15 111.021 0.009 . 1 . 1322 . . 51 GLY N . 18867 2 243 . 2 1 52 52 SER H H 1 8.035 0.005 . 1 . 1325 . . 52 SER H . 18867 2 244 . 2 1 52 52 SER C C 13 174.483 0.022 . 1 . 1327 . . 52 SER C . 18867 2 245 . 2 1 52 52 SER CA C 13 58.390 0.01 . 1 . 1328 . . 52 SER CA . 18867 2 246 . 2 1 52 52 SER CB C 13 63.931 0.02 . 1 . 1329 . . 52 SER CB . 18867 2 247 . 2 1 52 52 SER N N 15 114.964 0.022 . 1 . 1326 . . 52 SER N . 18867 2 248 . 2 1 53 53 LEU H H 1 8.134 0.003 . 1 . 1330 . . 53 LEU H . 18867 2 249 . 2 1 53 53 LEU C C 13 176.905 0.004 . 1 . 1332 . . 53 LEU C . 18867 2 250 . 2 1 53 53 LEU CA C 13 55.300 0.0 . 1 . 1333 . . 53 LEU CA . 18867 2 251 . 2 1 53 53 LEU CB C 13 42.578 0.016 . 1 . 1334 . . 53 LEU CB . 18867 2 252 . 2 1 53 53 LEU N N 15 123.129 0.012 . 1 . 1331 . . 53 LEU N . 18867 2 253 . 2 1 54 54 ASN H H 1 8.406 0.004 . 1 . 1335 . . 54 ASN H . 18867 2 254 . 2 1 54 54 ASN C C 13 175.166 0.003 . 1 . 1337 . . 54 ASN C . 18867 2 255 . 2 1 54 54 ASN CA C 13 53.084 0.029 . 1 . 1338 . . 54 ASN CA . 18867 2 256 . 2 1 54 54 ASN CB C 13 38.788 0.009 . 1 . 1339 . . 54 ASN CB . 18867 2 257 . 2 1 54 54 ASN N N 15 119.644 0.016 . 1 . 1336 . . 54 ASN N . 18867 2 258 . 2 1 55 55 ILE H H 1 8.035 0.004 . 1 . 1340 . . 55 ILE H . 18867 2 259 . 2 1 55 55 ILE C C 13 176.530 0.021 . 1 . 1342 . . 55 ILE C . 18867 2 260 . 2 1 55 55 ILE CA C 13 61.517 0.025 . 1 . 1343 . . 55 ILE CA . 18867 2 261 . 2 1 55 55 ILE CB C 13 38.730 0.059 . 1 . 1344 . . 55 ILE CB . 18867 2 262 . 2 1 55 55 ILE N N 15 120.595 0.015 . 1 . 1341 . . 55 ILE N . 18867 2 263 . 2 1 56 56 GLY H H 1 8.297 0.004 . 1 . 1345 . . 56 GLY H . 18867 2 264 . 2 1 56 56 GLY C C 13 173.709 0.012 . 1 . 1347 . . 56 GLY C . 18867 2 265 . 2 1 56 56 GLY CA C 13 45.200 0.0 . 1 . 1348 . . 56 GLY CA . 18867 2 266 . 2 1 56 56 GLY N N 15 111.497 0.021 . 1 . 1346 . . 56 GLY N . 18867 2 267 . 2 1 57 57 ASP H H 1 8.097 0.005 . 1 . 1349 . . 57 ASP H . 18867 2 268 . 2 1 57 57 ASP C C 13 176.313 0.019 . 1 . 1351 . . 57 ASP C . 18867 2 269 . 2 1 57 57 ASP CA C 13 54.300 0.0 . 1 . 1352 . . 57 ASP CA . 18867 2 270 . 2 1 57 57 ASP CB C 13 41.406 . . 1 . 1353 . . 57 ASP CB . 18867 2 271 . 2 1 57 57 ASP N N 15 120.222 0.015 . 1 . 1350 . . 57 ASP N . 18867 2 272 . 2 1 58 58 VAL H H 1 7.975 0.003 . 1 . 1354 . . 58 VAL H . 18867 2 273 . 2 1 58 58 VAL C C 13 175.972 0.021 . 1 . 1356 . . 58 VAL C . 18867 2 274 . 2 1 58 58 VAL CA C 13 62.324 . . 1 . 1357 . . 58 VAL CA . 18867 2 275 . 2 1 58 58 VAL CB C 13 32.900 . . 1 . 1358 . . 58 VAL CB . 18867 2 276 . 2 1 58 58 VAL N N 15 119.735 0.008 . 1 . 1355 . . 58 VAL N . 18867 2 277 . 2 1 59 59 GLN H H 1 8.395 0.006 . 1 . 1359 . . 59 GLN H . 18867 2 278 . 2 1 59 59 GLN C C 13 175.692 0.011 . 1 . 1365 . . 59 GLN C . 18867 2 279 . 2 1 59 59 GLN CA C 13 55.600 . . 1 . 1361 . . 59 GLN CA . 18867 2 280 . 2 1 59 59 GLN CB C 13 29.400 0.0 . 1 . 1362 . . 59 GLN CB . 18867 2 281 . 2 1 59 59 GLN N N 15 123.802 0.018 . 1 . 1360 . . 59 GLN N . 18867 2 282 . 2 1 60 60 LEU H H 1 8.197 0.004 . 1 . 1363 . . 60 LEU H . 18867 2 283 . 2 1 60 60 LEU C C 13 177.210 0.014 . 1 . 1366 . . 60 LEU C . 18867 2 284 . 2 1 60 60 LEU CA C 13 55.100 . . 1 . 1367 . . 60 LEU CA . 18867 2 285 . 2 1 60 60 LEU CB C 13 42.615 0.011 . 1 . 1368 . . 60 LEU CB . 18867 2 286 . 2 1 60 60 LEU N N 15 123.719 0.008 . 1 . 1364 . . 60 LEU N . 18867 2 287 . 2 1 61 61 GLU H H 1 8.325 0.004 . 1 . 1369 . . 61 GLU H . 18867 2 288 . 2 1 61 61 GLU C C 13 176.000 . . 1 . 1371 . . 61 GLU C . 18867 2 289 . 2 1 61 61 GLU CA C 13 56.400 0.0 . 1 . 1372 . . 61 GLU CA . 18867 2 290 . 2 1 61 61 GLU CB C 13 30.400 0.0 . 1 . 1373 . . 61 GLU CB . 18867 2 291 . 2 1 61 61 GLU N N 15 121.496 0.024 . 1 . 1370 . . 61 GLU N . 18867 2 292 . 2 1 62 62 LYS H H 1 8.257 0.004 . 1 . 1374 . . 62 LYS H . 18867 2 293 . 2 1 62 62 LYS C C 13 176.000 . . 1 . 1376 . . 62 LYS C . 18867 2 294 . 2 1 62 62 LYS CA C 13 54.100 . . 1 . 1377 . . 62 LYS CA . 18867 2 295 . 2 1 62 62 LYS CB C 13 32.600 . . 1 . 1378 . . 62 LYS CB . 18867 2 296 . 2 1 62 62 LYS N N 15 123.519 0.01 . 1 . 1375 . . 62 LYS N . 18867 2 stop_ save_