data_4475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4475 _Entry.Title ; Low Density Lipoprotein Receptor-Related protein complement repeat 8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-15 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-06-17 _Entry.Original_release_date 2000-06-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 W. Huang . . . 4475 2 K. Dolmer . . . 4475 3 P. Gettins . G.W. . 4475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 122 4475 '15N chemical shifts' 41 4475 '1H chemical shifts' 250 4475 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 . . 2000-06-17 1998-12-15 original author . 4475 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1CR8 'BMRB Entry Tracking System' 4475 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99253972 _Citation.DOI . _Citation.PubMed_ID 10318830 _Citation.Full_citation . _Citation.Title ; NMR solution structure of complement-like repeat CR8 from the low density lipoprotein receptor-related protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 274 _Citation.Journal_issue . _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 14130 _Citation.Page_last 14136 _Citation.Year 1999 _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 W. Huang . . . 4475 1 2 K. dolmer . . . 4475 1 3 P. Gettins . G.W. . 4475 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium binding' 4475 1 LDLR 4475 1 'ligand binding' 4475 1 LRP 4475 1 receptor 4475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LRP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LRP _Assembly.Entry_ID 4475 _Assembly.ID 1 _Assembly.Name 'Low Density Lipoprotein Receptor Related Protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4475 1 stop_ 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 LRP 1 $LRP . . . native . . . . . 4475 1 2 Ca2+ 2 $CA . . . native . . . . . 4475 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1CR8 . 'A Chain A, Low Density Lipoprotein Receptor-Related Protein Complement Repeat 8' . . . . 4475 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Low Density Lipoprotein Receptor Related Protein' system 4475 1 LRP abbreviation 4475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LRP _Entity.Sf_category entity _Entity.Sf_framecode LRP _Entity.Entry_ID 4475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Low Density Lipoprotein Receptor Related Protein' _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 ; GSPGGCHTDEFQCRLDGLCI PLRWRCDGDTDCMDSSDEKS CEGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1CR8 . "Low Density Lipoprotein Receptor-Related Protein Complement Repeat 8" . . . . . 95.45 42 100.00 100.00 9.95e-21 . . . . 4475 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Low Density Lipoprotein Receptor Related Protein' common 4475 1 LRP abbreviation 4475 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4475 1 2 . SER . 4475 1 3 . PRO . 4475 1 4 . GLY . 4475 1 5 . GLY . 4475 1 6 . CYS . 4475 1 7 . HIS . 4475 1 8 . THR . 4475 1 9 . ASP . 4475 1 10 . GLU . 4475 1 11 . PHE . 4475 1 12 . GLN . 4475 1 13 . CYS . 4475 1 14 . ARG . 4475 1 15 . LEU . 4475 1 16 . ASP . 4475 1 17 . GLY . 4475 1 18 . LEU . 4475 1 19 . CYS . 4475 1 20 . ILE . 4475 1 21 . PRO . 4475 1 22 . LEU . 4475 1 23 . ARG . 4475 1 24 . TRP . 4475 1 25 . ARG . 4475 1 26 . CYS . 4475 1 27 . ASP . 4475 1 28 . GLY . 4475 1 29 . ASP . 4475 1 30 . THR . 4475 1 31 . ASP . 4475 1 32 . CYS . 4475 1 33 . MET . 4475 1 34 . ASP . 4475 1 35 . SER . 4475 1 36 . SER . 4475 1 37 . ASP . 4475 1 38 . GLU . 4475 1 39 . LYS . 4475 1 40 . SER . 4475 1 41 . CYS . 4475 1 42 . GLU . 4475 1 43 . GLY . 4475 1 44 . VAL . 4475 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 4475 1 . SER 2 2 4475 1 . PRO 3 3 4475 1 . GLY 4 4 4475 1 . GLY 5 5 4475 1 . CYS 6 6 4475 1 . HIS 7 7 4475 1 . THR 8 8 4475 1 . ASP 9 9 4475 1 . GLU 10 10 4475 1 . PHE 11 11 4475 1 . GLN 12 12 4475 1 . CYS 13 13 4475 1 . ARG 14 14 4475 1 . LEU 15 15 4475 1 . ASP 16 16 4475 1 . GLY 17 17 4475 1 . LEU 18 18 4475 1 . CYS 19 19 4475 1 . ILE 20 20 4475 1 . PRO 21 21 4475 1 . LEU 22 22 4475 1 . ARG 23 23 4475 1 . TRP 24 24 4475 1 . ARG 25 25 4475 1 . CYS 26 26 4475 1 . ASP 27 27 4475 1 . GLY 28 28 4475 1 . ASP 29 29 4475 1 . THR 30 30 4475 1 . ASP 31 31 4475 1 . CYS 32 32 4475 1 . MET 33 33 4475 1 . ASP 34 34 4475 1 . SER 35 35 4475 1 . SER 36 36 4475 1 . ASP 37 37 4475 1 . GLU 38 38 4475 1 . LYS 39 39 4475 1 . SER 40 40 4475 1 . CYS 41 41 4475 1 . GLU 42 42 4475 1 . GLY 43 43 4475 1 . VAL 44 44 4475 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4475 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 4475 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4475 _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 $LRP . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'The protein is found in liver and placenta' . . 4475 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 4475 _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 $LRP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4475 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4475 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4475 CA [Ca++] SMILES CACTVS 3.341 4475 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4475 CA [Ca+2] SMILES ACDLabs 10.04 4475 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4475 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4475 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4475 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4475 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4475 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4475 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4475 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Low Density Lipoprotein Receptor Related Protein' . . . 1 $LRP . . . . . mM . . . . 4475 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4475 _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' 0.05 . M 4475 1 pH 5.5 . n/a 4475 1 pressure 1 . atm 4475 1 temperature 298 . K 4475 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4475 _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 NMR_spectrometer Bruker DMX . 600 . . . 4475 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 4475 _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 NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4475 1 2 TOCSY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4475 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4475 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4475 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4475 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4475 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4475 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4475 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 $sample_1 . 4475 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 1 1 GLY HA2 H 1 3.66 0.02 . 1 . . . . . . . . 4475 1 2 . 1 1 1 1 GLY HA3 H 1 3.66 0.02 . 1 . . . . . . . . 4475 1 3 . 1 1 2 2 SER H H 1 8.46 0.02 . 1 . . . . . . . . 4475 1 4 . 1 1 2 2 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 4475 1 5 . 1 1 2 2 SER HB2 H 1 3.67 0.02 . 1 . . . . . . . . 4475 1 6 . 1 1 2 2 SER HB3 H 1 3.67 0.02 . 1 . . . . . . . . 4475 1 7 . 1 1 2 2 SER N N 15 116.8 0.2 . 1 . . . . . . . . 4475 1 8 . 1 1 3 3 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 4475 1 9 . 1 1 3 3 PRO HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4475 1 10 . 1 1 3 3 PRO HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4475 1 11 . 1 1 3 3 PRO HG2 H 1 1.92 0.02 . 1 . . . . . . . . 4475 1 12 . 1 1 3 3 PRO HG3 H 1 1.92 0.02 . 1 . . . . . . . . 4475 1 13 . 1 1 3 3 PRO HD2 H 1 3.71 0.02 . 2 . . . . . . . . 4475 1 14 . 1 1 3 3 PRO HD3 H 1 3.60 0.02 . 2 . . . . . . . . 4475 1 15 . 1 1 3 3 PRO CA C 13 61.6 0.3 . 1 . . . . . . . . 4475 1 16 . 1 1 4 4 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 4475 1 17 . 1 1 4 4 GLY HA2 H 1 3.81 0.02 . 1 . . . . . . . . 4475 1 18 . 1 1 4 4 GLY HA3 H 1 3.81 0.02 . 1 . . . . . . . . 4475 1 19 . 1 1 4 4 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 4475 1 20 . 1 1 4 4 GLY CA C 13 42.8 0.3 . 1 . . . . . . . . 4475 1 21 . 1 1 4 4 GLY N N 15 109.1 0.2 . 1 . . . . . . . . 4475 1 22 . 1 1 5 5 GLY H H 1 7.95 0.02 . 1 . . . . . . . . 4475 1 23 . 1 1 5 5 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 4475 1 24 . 1 1 5 5 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4475 1 25 . 1 1 5 5 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 4475 1 26 . 1 1 5 5 GLY CA C 13 42.4 0.3 . 1 . . . . . . . . 4475 1 27 . 1 1 5 5 GLY N N 15 107.7 0.2 . 1 . . . . . . . . 4475 1 28 . 1 1 6 6 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4475 1 29 . 1 1 6 6 CYS HA H 1 4.73 0.02 . 1 . . . . . . . . 4475 1 30 . 1 1 6 6 CYS HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4475 1 31 . 1 1 6 6 CYS HB3 H 1 2.38 0.02 . 2 . . . . . . . . 4475 1 32 . 1 1 6 6 CYS CA C 13 50.4 0.3 . 1 . . . . . . . . 4475 1 33 . 1 1 6 6 CYS CB C 13 35.4 0.3 . 1 . . . . . . . . 4475 1 34 . 1 1 6 6 CYS N N 15 117.5 0.2 . 1 . . . . . . . . 4475 1 35 . 1 1 7 7 HIS H H 1 9.05 0.02 . 1 . . . . . . . . 4475 1 36 . 1 1 7 7 HIS HA H 1 4.73 0.02 . 1 . . . . . . . . 4475 1 37 . 1 1 7 7 HIS HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4475 1 38 . 1 1 7 7 HIS HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4475 1 39 . 1 1 7 7 HIS CA C 13 52.4 0.3 . 1 . . . . . . . . 4475 1 40 . 1 1 7 7 HIS CB C 13 26.7 0.3 . 1 . . . . . . . . 4475 1 41 . 1 1 7 7 HIS N N 15 118.4 0.2 . 1 . . . . . . . . 4475 1 42 . 1 1 8 8 THR H H 1 8.46 0.02 . 1 . . . . . . . . 4475 1 43 . 1 1 8 8 THR HA H 1 3.98 0.02 . 1 . . . . . . . . 4475 1 44 . 1 1 8 8 THR HB H 1 4.65 0.02 . 1 . . . . . . . . 4475 1 45 . 1 1 8 8 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4475 1 46 . 1 1 8 8 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4475 1 47 . 1 1 8 8 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4475 1 48 . 1 1 8 8 THR CA C 13 62.5 0.3 . 1 . . . . . . . . 4475 1 49 . 1 1 8 8 THR CB C 13 65.9 0.3 . 1 . . . . . . . . 4475 1 50 . 1 1 8 8 THR CG2 C 13 19.1 0.3 . 1 . . . . . . . . 4475 1 51 . 1 1 8 8 THR N N 15 112.2 0.2 . 1 . . . . . . . . 4475 1 52 . 1 1 9 9 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 4475 1 53 . 1 1 9 9 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 4475 1 54 . 1 1 9 9 ASP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4475 1 55 . 1 1 9 9 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4475 1 56 . 1 1 9 9 ASP CA C 13 50.4 0.3 . 1 . . . . . . . . 4475 1 57 . 1 1 9 9 ASP CB C 13 36.1 0.3 . 1 . . . . . . . . 4475 1 58 . 1 1 9 9 ASP CG C 13 180.8 0.2 . 1 . . . . . . . . 4475 1 59 . 1 1 9 9 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 4475 1 60 . 1 1 10 10 GLU H H 1 7.45 0.02 . 1 . . . . . . . . 4475 1 61 . 1 1 10 10 GLU HA H 1 4.82 0.02 . 1 . . . . . . . . 4475 1 62 . 1 1 10 10 GLU HB2 H 1 4.82 0.02 . 2 . . . . . . . . 4475 1 63 . 1 1 10 10 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4475 1 64 . 1 1 10 10 GLU HG2 H 1 1.68 0.02 . 1 . . . . . . . . 4475 1 65 . 1 1 10 10 GLU HG3 H 1 1.68 0.02 . 1 . . . . . . . . 4475 1 66 . 1 1 10 10 GLU C C 13 174.2 0.2 . 1 . . . . . . . . 4475 1 67 . 1 1 10 10 GLU CA C 13 52.1 0.3 . 1 . . . . . . . . 4475 1 68 . 1 1 10 10 GLU CB C 13 30.9 0.3 . 1 . . . . . . . . 4475 1 69 . 1 1 10 10 GLU CG C 13 33.6 0.3 . 1 . . . . . . . . 4475 1 70 . 1 1 10 10 GLU CD C 13 183.1 0.2 . 1 . . . . . . . . 4475 1 71 . 1 1 10 10 GLU N N 15 118.5 0.2 . 1 . . . . . . . . 4475 1 72 . 1 1 11 11 PHE H H 1 9.33 0.02 . 1 . . . . . . . . 4475 1 73 . 1 1 11 11 PHE HA H 1 4.48 0.02 . 1 . . . . . . . . 4475 1 74 . 1 1 11 11 PHE HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4475 1 75 . 1 1 11 11 PHE HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4475 1 76 . 1 1 11 11 PHE HD1 H 1 6.96 0.02 . 1 . . . . . . . . 4475 1 77 . 1 1 11 11 PHE HD2 H 1 6.96 0.02 . 1 . . . . . . . . 4475 1 78 . 1 1 11 11 PHE HE1 H 1 6.87 0.02 . 1 . . . . . . . . 4475 1 79 . 1 1 11 11 PHE HE2 H 1 6.87 0.02 . 1 . . . . . . . . 4475 1 80 . 1 1 11 11 PHE HZ H 1 7.12 0.02 . 5 . . . . . . . . 4475 1 81 . 1 1 11 11 PHE CA C 13 52.1 0.3 . 1 . . . . . . . . 4475 1 82 . 1 1 11 11 PHE CB C 13 38.7 0.3 . 1 . . . . . . . . 4475 1 83 . 1 1 11 11 PHE N N 15 121.0 0.2 . 1 . . . . . . . . 4475 1 84 . 1 1 12 12 GLN H H 1 7.25 0.02 . 1 . . . . . . . . 4475 1 85 . 1 1 12 12 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 4475 1 86 . 1 1 12 12 GLN HB2 H 1 1.60 0.02 . 2 . . . . . . . . 4475 1 87 . 1 1 12 12 GLN HB3 H 1 1.15 0.02 . 2 . . . . . . . . 4475 1 88 . 1 1 12 12 GLN HG2 H 1 1.80 0.02 . 1 . . . . . . . . 4475 1 89 . 1 1 12 12 GLN HG3 H 1 1.80 0.02 . 1 . . . . . . . . 4475 1 90 . 1 1 12 12 GLN CA C 13 51.4 0.3 . 1 . . . . . . . . 4475 1 91 . 1 1 12 12 GLN CB C 13 26.9 0.3 . 1 . . . . . . . . 4475 1 92 . 1 1 12 12 GLN CD C 13 180.3 0.2 . 1 . . . . . . . . 4475 1 93 . 1 1 12 12 GLN N N 15 126.9 0.2 . 1 . . . . . . . . 4475 1 94 . 1 1 13 13 CYS H H 1 9.20 0.02 . 1 . . . . . . . . 4475 1 95 . 1 1 13 13 CYS HA H 1 4.50 0.02 . 1 . . . . . . . . 4475 1 96 . 1 1 13 13 CYS HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4475 1 97 . 1 1 13 13 CYS HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4475 1 98 . 1 1 13 13 CYS CA C 13 52.1 0.3 . 1 . . . . . . . . 4475 1 99 . 1 1 13 13 CYS CB C 13 34.1 0.3 . 1 . . . . . . . . 4475 1 100 . 1 1 13 13 CYS N N 15 126.9 0.2 . 1 . . . . . . . . 4475 1 101 . 1 1 14 14 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 4475 1 102 . 1 1 14 14 ARG HA H 1 3.65 0.02 . 1 . . . . . . . . 4475 1 103 . 1 1 14 14 ARG HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4475 1 104 . 1 1 14 14 ARG HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4475 1 105 . 1 1 14 14 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 4475 1 106 . 1 1 14 14 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 4475 1 107 . 1 1 14 14 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 4475 1 108 . 1 1 14 14 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 4475 1 109 . 1 1 14 14 ARG CA C 13 57.6 0.3 . 1 . . . . . . . . 4475 1 110 . 1 1 14 14 ARG CB C 13 26.7 0.3 . 1 . . . . . . . . 4475 1 111 . 1 1 14 14 ARG CG C 13 24.5 0.3 . 1 . . . . . . . . 4475 1 112 . 1 1 14 14 ARG CD C 13 39.8 0.3 . 1 . . . . . . . . 4475 1 113 . 1 1 14 14 ARG N N 15 125.3 0.2 . 1 . . . . . . . . 4475 1 114 . 1 1 15 15 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 4475 1 115 . 1 1 15 15 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 4475 1 116 . 1 1 15 15 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4475 1 117 . 1 1 15 15 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 4475 1 118 . 1 1 15 15 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 4475 1 119 . 1 1 15 15 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4475 1 120 . 1 1 15 15 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4475 1 121 . 1 1 15 15 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4475 1 122 . 1 1 15 15 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 4475 1 123 . 1 1 15 15 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 4475 1 124 . 1 1 15 15 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 4475 1 125 . 1 1 15 15 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 4475 1 126 . 1 1 15 15 LEU CB C 13 39.2 0.3 . 1 . . . . . . . . 4475 1 127 . 1 1 15 15 LEU CG C 13 23.5 0.3 . 1 . . . . . . . . 4475 1 128 . 1 1 15 15 LEU CD1 C 13 21.0 0.3 . 1 . . . . . . . . 4475 1 129 . 1 1 15 15 LEU CD2 C 13 22.1 0.3 . 1 . . . . . . . . 4475 1 130 . 1 1 15 15 LEU N N 15 117.5 0.2 . 1 . . . . . . . . 4475 1 131 . 1 1 16 16 ASP H H 1 7.49 0.02 . 1 . . . . . . . . 4475 1 132 . 1 1 16 16 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 4475 1 133 . 1 1 16 16 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4475 1 134 . 1 1 16 16 ASP HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4475 1 135 . 1 1 16 16 ASP CA C 13 50.3 0.3 . 1 . . . . . . . . 4475 1 136 . 1 1 16 16 ASP CB C 13 38.7 0.3 . 1 . . . . . . . . 4475 1 137 . 1 1 16 16 ASP CG C 13 179.4 0.2 . 1 . . . . . . . . 4475 1 138 . 1 1 16 16 ASP N N 15 112.5 0.2 . 1 . . . . . . . . 4475 1 139 . 1 1 17 17 GLY H H 1 7.35 0.02 . 1 . . . . . . . . 4475 1 140 . 1 1 17 17 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 4475 1 141 . 1 1 17 17 GLY HA3 H 1 3.62 0.02 . 2 . . . . . . . . 4475 1 142 . 1 1 17 17 GLY CA C 13 43.7 0.3 . 1 . . . . . . . . 4475 1 143 . 1 1 17 17 GLY N N 15 109.0 0.2 . 1 . . . . . . . . 4475 1 144 . 1 1 18 18 LEU H H 1 7.33 0.02 . 1 . . . . . . . . 4475 1 145 . 1 1 18 18 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 4475 1 146 . 1 1 18 18 LEU HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4475 1 147 . 1 1 18 18 LEU HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4475 1 148 . 1 1 18 18 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 4475 1 149 . 1 1 18 18 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 150 . 1 1 18 18 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 151 . 1 1 18 18 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 152 . 1 1 18 18 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 153 . 1 1 18 18 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 154 . 1 1 18 18 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4475 1 155 . 1 1 18 18 LEU CA C 13 53.6 0.3 . 1 . . . . . . . . 4475 1 156 . 1 1 18 18 LEU CB C 13 39.7 0.3 . 1 . . . . . . . . 4475 1 157 . 1 1 18 18 LEU CG C 13 24.4 0.3 . 1 . . . . . . . . 4475 1 158 . 1 1 18 18 LEU CD1 C 13 21.5 0.3 . 1 . . . . . . . . 4475 1 159 . 1 1 18 18 LEU CD2 C 13 21.5 0.3 . 1 . . . . . . . . 4475 1 160 . 1 1 18 18 LEU N N 15 121.9 0.2 . 1 . . . . . . . . 4475 1 161 . 1 1 19 19 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4475 1 162 . 1 1 19 19 CYS HA H 1 5.24 0.02 . 1 . . . . . . . . 4475 1 163 . 1 1 19 19 CYS HB2 H 1 2.54 0.02 . 1 . . . . . . . . 4475 1 164 . 1 1 19 19 CYS HB3 H 1 2.54 0.02 . 1 . . . . . . . . 4475 1 165 . 1 1 19 19 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 4475 1 166 . 1 1 19 19 CYS CA C 13 50.7 0.3 . 1 . . . . . . . . 4475 1 167 . 1 1 19 19 CYS CB C 13 37.5 0.3 . 1 . . . . . . . . 4475 1 168 . 1 1 19 19 CYS N N 15 121.4 0.2 . 1 . . . . . . . . 4475 1 169 . 1 1 20 20 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 4475 1 170 . 1 1 20 20 ILE HA H 1 4.68 0.02 . 1 . . . . . . . . 4475 1 171 . 1 1 20 20 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 4475 1 172 . 1 1 20 20 ILE HG12 H 1 1.50 0.02 . 2 . . . . . . . . 4475 1 173 . 1 1 20 20 ILE HG13 H 1 1.33 0.02 . 2 . . . . . . . . 4475 1 174 . 1 1 20 20 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4475 1 175 . 1 1 20 20 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4475 1 176 . 1 1 20 20 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4475 1 177 . 1 1 20 20 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4475 1 178 . 1 1 20 20 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4475 1 179 . 1 1 20 20 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4475 1 180 . 1 1 20 20 ILE CA C 13 55.7 0.3 . 1 . . . . . . . . 4475 1 181 . 1 1 20 20 ILE CB C 13 29.7 0.3 . 1 . . . . . . . . 4475 1 182 . 1 1 20 20 ILE CG1 C 13 22.6 0.3 . 1 . . . . . . . . 4475 1 183 . 1 1 20 20 ILE CG2 C 13 13.1 0.3 . 1 . . . . . . . . 4475 1 184 . 1 1 20 20 ILE CD1 C 13 14.4 0.3 . 1 . . . . . . . . 4475 1 185 . 1 1 20 20 ILE N N 15 119.1 0.2 . 1 . . . . . . . . 4475 1 186 . 1 1 21 21 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 4475 1 187 . 1 1 21 21 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4475 1 188 . 1 1 21 21 PRO HB3 H 1 0.54 0.02 . 2 . . . . . . . . 4475 1 189 . 1 1 21 21 PRO HG2 H 1 1.73 0.02 . 2 . . . . . . . . 4475 1 190 . 1 1 21 21 PRO HG3 H 1 0.55 0.02 . 2 . . . . . . . . 4475 1 191 . 1 1 21 21 PRO HD2 H 1 2.94 0.02 . 1 . . . . . . . . 4475 1 192 . 1 1 21 21 PRO HD3 H 1 2.94 0.02 . 1 . . . . . . . . 4475 1 193 . 1 1 21 21 PRO CA C 13 61.0 0.3 . 1 . . . . . . . . 4475 1 194 . 1 1 21 21 PRO CB C 13 28.1 0.3 . 1 . . . . . . . . 4475 1 195 . 1 1 22 22 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4475 1 196 . 1 1 22 22 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 4475 1 197 . 1 1 22 22 LEU HB2 H 1 1.46 0.02 . 2 . . . . . . . . 4475 1 198 . 1 1 22 22 LEU HB3 H 1 0.95 0.02 . 2 . . . . . . . . 4475 1 199 . 1 1 22 22 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 4475 1 200 . 1 1 22 22 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4475 1 201 . 1 1 22 22 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4475 1 202 . 1 1 22 22 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4475 1 203 . 1 1 22 22 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4475 1 204 . 1 1 22 22 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4475 1 205 . 1 1 22 22 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4475 1 206 . 1 1 22 22 LEU CA C 13 55.3 0.3 . 1 . . . . . . . . 4475 1 207 . 1 1 22 22 LEU CB C 13 38.3 0.3 . 1 . . . . . . . . 4475 1 208 . 1 1 22 22 LEU CG C 13 24.2 0.3 . 1 . . . . . . . . 4475 1 209 . 1 1 22 22 LEU CD1 C 13 20.8 0.3 . 2 . . . . . . . . 4475 1 210 . 1 1 22 22 LEU CD2 C 13 22.2 0.3 . 2 . . . . . . . . 4475 1 211 . 1 1 22 22 LEU N N 15 125.8 0.2 . 1 . . . . . . . . 4475 1 212 . 1 1 23 23 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4475 1 213 . 1 1 23 23 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 4475 1 214 . 1 1 23 23 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4475 1 215 . 1 1 23 23 ARG HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4475 1 216 . 1 1 23 23 ARG HG2 H 1 1.48 0.02 . 1 . . . . . . . . 4475 1 217 . 1 1 23 23 ARG HG3 H 1 1.48 0.02 . 1 . . . . . . . . 4475 1 218 . 1 1 23 23 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 4475 1 219 . 1 1 23 23 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 4475 1 220 . 1 1 23 23 ARG CA C 13 55.3 0.3 . 1 . . . . . . . . 4475 1 221 . 1 1 23 23 ARG CB C 13 26.4 0.3 . 1 . . . . . . . . 4475 1 222 . 1 1 23 23 ARG CG C 13 24.3 0.3 . 1 . . . . . . . . 4475 1 223 . 1 1 23 23 ARG CD C 13 39.9 0.3 . 1 . . . . . . . . 4475 1 224 . 1 1 23 23 ARG N N 15 115.8 0.2 . 1 . . . . . . . . 4475 1 225 . 1 1 24 24 TRP H H 1 7.84 0.02 . 1 . . . . . . . . 4475 1 226 . 1 1 24 24 TRP HA H 1 5.11 0.02 . 1 . . . . . . . . 4475 1 227 . 1 1 24 24 TRP HB2 H 1 3.67 0.02 . 2 . . . . . . . . 4475 1 228 . 1 1 24 24 TRP HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4475 1 229 . 1 1 24 24 TRP HD1 H 1 6.50 0.02 . 1 . . . . . . . . 4475 1 230 . 1 1 24 24 TRP HE1 H 1 7.18 0.02 . 4 . . . . . . . . 4475 1 231 . 1 1 24 24 TRP HZ2 H 1 7.34 0.02 . 4 . . . . . . . . 4475 1 232 . 1 1 24 24 TRP HZ3 H 1 7.34 0.02 . 4 . . . . . . . . 4475 1 233 . 1 1 24 24 TRP HH2 H 1 9.75 0.02 . 1 . . . . . . . . 4475 1 234 . 1 1 24 24 TRP C C 13 177.9 0.2 . 1 . . . . . . . . 4475 1 235 . 1 1 24 24 TRP CA C 13 52.1 0.3 . 1 . . . . . . . . 4475 1 236 . 1 1 24 24 TRP CB C 13 25.5 0.3 . 1 . . . . . . . . 4475 1 237 . 1 1 24 24 TRP N N 15 117.3 0.2 . 1 . . . . . . . . 4475 1 238 . 1 1 24 24 TRP NE1 N 15 125.4 0.2 . 1 . . . . . . . . 4475 1 239 . 1 1 25 25 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 4475 1 240 . 1 1 25 25 ARG HA H 1 4.01 0.02 . 1 . . . . . . . . 4475 1 241 . 1 1 25 25 ARG HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4475 1 242 . 1 1 25 25 ARG HB3 H 1 1.08 0.02 . 2 . . . . . . . . 4475 1 243 . 1 1 25 25 ARG HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4475 1 244 . 1 1 25 25 ARG HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4475 1 245 . 1 1 25 25 ARG HD2 H 1 2.92 0.02 . 1 . . . . . . . . 4475 1 246 . 1 1 25 25 ARG HD3 H 1 2.92 0.02 . 1 . . . . . . . . 4475 1 247 . 1 1 25 25 ARG CA C 13 53.6 0.3 . 1 . . . . . . . . 4475 1 248 . 1 1 25 25 ARG CB C 13 27.2 0.3 . 1 . . . . . . . . 4475 1 249 . 1 1 25 25 ARG CG C 13 24.4 0.3 . 1 . . . . . . . . 4475 1 250 . 1 1 25 25 ARG CD C 13 40.1 0.3 . 1 . . . . . . . . 4475 1 251 . 1 1 25 25 ARG N N 15 127.3 0.2 . 1 . . . . . . . . 4475 1 252 . 1 1 26 26 CYS H H 1 8.71 0.02 . 1 . . . . . . . . 4475 1 253 . 1 1 26 26 CYS HA H 1 4.56 0.02 . 1 . . . . . . . . 4475 1 254 . 1 1 26 26 CYS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4475 1 255 . 1 1 26 26 CYS HB3 H 1 2.96 0.02 . 2 . . . . . . . . 4475 1 256 . 1 1 26 26 CYS CA C 13 53.6 0.3 . 1 . . . . . . . . 4475 1 257 . 1 1 26 26 CYS CB C 13 33.7 0.3 . 1 . . . . . . . . 4475 1 258 . 1 1 26 26 CYS N N 15 124.8 0.2 . 1 . . . . . . . . 4475 1 259 . 1 1 27 27 ASP H H 1 9.33 0.02 . 1 . . . . . . . . 4475 1 260 . 1 1 27 27 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . 4475 1 261 . 1 1 27 27 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4475 1 262 . 1 1 27 27 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4475 1 263 . 1 1 27 27 ASP CA C 13 49.7 0.3 . 1 . . . . . . . . 4475 1 264 . 1 1 27 27 ASP CB C 13 38.4 0.3 . 1 . . . . . . . . 4475 1 265 . 1 1 27 27 ASP CG C 13 181.3 0.2 . 1 . . . . . . . . 4475 1 266 . 1 1 27 27 ASP N N 15 120.2 0.3 . 1 . . . . . . . . 4475 1 267 . 1 1 28 28 GLY H H 1 9.05 0.02 . 1 . . . . . . . . 4475 1 268 . 1 1 28 28 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 4475 1 269 . 1 1 28 28 GLY HA3 H 1 3.33 0.02 . 2 . . . . . . . . 4475 1 270 . 1 1 28 28 GLY C C 13 173.1 0.2 . 1 . . . . . . . . 4475 1 271 . 1 1 28 28 GLY CA C 13 42.9 0.3 . 1 . . . . . . . . 4475 1 272 . 1 1 28 28 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 4475 1 273 . 1 1 29 29 ASP H H 1 7.37 0.02 . 1 . . . . . . . . 4475 1 274 . 1 1 29 29 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 4475 1 275 . 1 1 29 29 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4475 1 276 . 1 1 29 29 ASP HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4475 1 277 . 1 1 29 29 ASP CA C 13 49.2 0.3 . 1 . . . . . . . . 4475 1 278 . 1 1 29 29 ASP CB C 13 38.5 0.3 . 1 . . . . . . . . 4475 1 279 . 1 1 29 29 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 4475 1 280 . 1 1 30 30 THR H H 1 9.11 0.02 . 1 . . . . . . . . 4475 1 281 . 1 1 30 30 THR HA H 1 4.11 0.02 . 1 . . . . . . . . 4475 1 282 . 1 1 30 30 THR HB H 1 4.62 0.02 . 1 . . . . . . . . 4475 1 283 . 1 1 30 30 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4475 1 284 . 1 1 30 30 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4475 1 285 . 1 1 30 30 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4475 1 286 . 1 1 30 30 THR CA C 13 60.1 0.3 . 1 . . . . . . . . 4475 1 287 . 1 1 30 30 THR CB C 13 65.2 0.3 . 1 . . . . . . . . 4475 1 288 . 1 1 30 30 THR CG2 C 13 19.8 0.3 . 1 . . . . . . . . 4475 1 289 . 1 1 30 30 THR N N 15 121.0 0.2 . 1 . . . . . . . . 4475 1 290 . 1 1 31 31 ASP H H 1 10.23 0.02 . 1 . . . . . . . . 4475 1 291 . 1 1 31 31 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4475 1 292 . 1 1 31 31 ASP HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4475 1 293 . 1 1 31 31 ASP HB3 H 1 2.54 0.02 . 2 . . . . . . . . 4475 1 294 . 1 1 31 31 ASP CA C 13 53.0 0.3 . 1 . . . . . . . . 4475 1 295 . 1 1 31 31 ASP CB C 13 41.1 0.3 . 1 . . . . . . . . 4475 1 296 . 1 1 32 32 CYS H H 1 8.04 0.02 . 1 . . . . . . . . 4475 1 297 . 1 1 32 32 CYS HA H 1 4.91 0.02 . 1 . . . . . . . . 4475 1 298 . 1 1 32 32 CYS HB2 H 1 3.53 0.02 . 2 . . . . . . . . 4475 1 299 . 1 1 32 32 CYS HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4475 1 300 . 1 1 32 32 CYS C C 13 177.3 0.2 . 1 . . . . . . . . 4475 1 301 . 1 1 32 32 CYS CA C 13 49.7 0.3 . 1 . . . . . . . . 4475 1 302 . 1 1 32 32 CYS CB C 13 37.2 0.3 . 1 . . . . . . . . 4475 1 303 . 1 1 32 32 CYS N N 15 117.1 0.2 . 1 . . . . . . . . 4475 1 304 . 1 1 33 33 MET H H 1 9.88 0.02 . 1 . . . . . . . . 4475 1 305 . 1 1 33 33 MET HA H 1 4.18 0.02 . 1 . . . . . . . . 4475 1 306 . 1 1 33 33 MET HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4475 1 307 . 1 1 33 33 MET HB3 H 1 2.55 0.02 . 1 . . . . . . . . 4475 1 308 . 1 1 33 33 MET HG2 H 1 2.10 0.02 . 2 . . . . . . . . 4475 1 309 . 1 1 33 33 MET HG3 H 1 1.98 0.02 . 2 . . . . . . . . 4475 1 310 . 1 1 33 33 MET CA C 13 55.7 0.3 . 1 . . . . . . . . 4475 1 311 . 1 1 33 33 MET CB C 13 29.2 0.3 . 1 . . . . . . . . 4475 1 312 . 1 1 33 33 MET CG C 13 28.2 0.3 . 1 . . . . . . . . 4475 1 313 . 1 1 33 33 MET N N 15 125.1 0.2 . 1 . . . . . . . . 4475 1 314 . 1 1 34 34 ASP H H 1 7.97 0.02 . 1 . . . . . . . . 4475 1 315 . 1 1 34 34 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4475 1 316 . 1 1 34 34 ASP HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4475 1 317 . 1 1 34 34 ASP HB3 H 1 2.46 0.02 . 2 . . . . . . . . 4475 1 318 . 1 1 34 34 ASP CA C 13 50.1 0.3 . 1 . . . . . . . . 4475 1 319 . 1 1 34 34 ASP CB C 13 38.2 0.3 . 1 . . . . . . . . 4475 1 320 . 1 1 34 34 ASP CG C 13 180.6 0.2 . 1 . . . . . . . . 4475 1 321 . 1 1 34 34 ASP N N 15 115.5 0.2 . 1 . . . . . . . . 4475 1 322 . 1 1 35 35 SER H H 1 8.01 0.02 . 1 . . . . . . . . 4475 1 323 . 1 1 35 35 SER HA H 1 3.98 0.02 . 1 . . . . . . . . 4475 1 324 . 1 1 35 35 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4475 1 325 . 1 1 35 35 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4475 1 326 . 1 1 35 35 SER CA C 13 57.8 0.3 . 1 . . . . . . . . 4475 1 327 . 1 1 35 35 SER CB C 13 61.5 0.3 . 1 . . . . . . . . 4475 1 328 . 1 1 35 35 SER N N 15 108.9 0.2 . 1 . . . . . . . . 4475 1 329 . 1 1 36 36 SER H H 1 8.75 0.02 . 1 . . . . . . . . 4475 1 330 . 1 1 36 36 SER HA H 1 4.10 0.02 . 1 . . . . . . . . 4475 1 331 . 1 1 36 36 SER HB2 H 1 3.80 0.02 . 1 . . . . . . . . 4475 1 332 . 1 1 36 36 SER HB3 H 1 3.80 0.02 . 1 . . . . . . . . 4475 1 333 . 1 1 36 36 SER CA C 13 58.6 0.3 . 1 . . . . . . . . 4475 1 334 . 1 1 36 36 SER CB C 13 59.9 0.3 . 1 . . . . . . . . 4475 1 335 . 1 1 36 36 SER N N 15 115.7 0.3 . 1 . . . . . . . . 4475 1 336 . 1 1 37 37 ASP H H 1 9.66 0.02 . 1 . . . . . . . . 4475 1 337 . 1 1 37 37 ASP HA H 1 3.63 0.02 . 1 . . . . . . . . 4475 1 338 . 1 1 37 37 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4475 1 339 . 1 1 37 37 ASP HB3 H 1 2.38 0.02 . 2 . . . . . . . . 4475 1 340 . 1 1 37 37 ASP CA C 13 52.8 0.3 . 1 . . . . . . . . 4475 1 341 . 1 1 37 37 ASP CB C 13 36.7 0.3 . 1 . . . . . . . . 4475 1 342 . 1 1 37 37 ASP N N 15 116.6 0.2 . 1 . . . . . . . . 4475 1 343 . 1 1 38 38 GLU H H 1 7.41 0.02 . 1 . . . . . . . . 4475 1 344 . 1 1 38 38 GLU HA H 1 4.61 0.02 . 1 . . . . . . . . 4475 1 345 . 1 1 38 38 GLU HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4475 1 346 . 1 1 38 38 GLU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 4475 1 347 . 1 1 38 38 GLU HG2 H 1 1.83 0.02 . 2 . . . . . . . . 4475 1 348 . 1 1 38 38 GLU HG3 H 1 1.93 0.02 . 2 . . . . . . . . 4475 1 349 . 1 1 38 38 GLU CA C 13 51.9 0.3 . 1 . . . . . . . . 4475 1 350 . 1 1 38 38 GLU CB C 13 27.2 0.3 . 1 . . . . . . . . 4475 1 351 . 1 1 38 38 GLU CG C 13 33.8 0.3 . 1 . . . . . . . . 4475 1 352 . 1 1 38 38 GLU CD C 13 182.9 0.2 . 1 . . . . . . . . 4475 1 353 . 1 1 38 38 GLU N N 15 116.6 0.3 . 1 . . . . . . . . 4475 1 354 . 1 1 39 39 LYS H H 1 6.73 0.02 . 1 . . . . . . . . 4475 1 355 . 1 1 39 39 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 4475 1 356 . 1 1 39 39 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4475 1 357 . 1 1 39 39 LYS HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4475 1 358 . 1 1 39 39 LYS HG2 H 1 1.35 0.02 . 4 . . . . . . . . 4475 1 359 . 1 1 39 39 LYS HG3 H 1 1.35 0.02 . 4 . . . . . . . . 4475 1 360 . 1 1 39 39 LYS HD2 H 1 1.49 0.02 . 4 . . . . . . . . 4475 1 361 . 1 1 39 39 LYS HD3 H 1 1.49 0.02 . 4 . . . . . . . . 4475 1 362 . 1 1 39 39 LYS HE2 H 1 2.70 0.02 . 1 . . . . . . . . 4475 1 363 . 1 1 39 39 LYS HE3 H 1 2.70 0.02 . 1 . . . . . . . . 4475 1 364 . 1 1 39 39 LYS CA C 13 52.8 0.3 . 1 . . . . . . . . 4475 1 365 . 1 1 39 39 LYS CB C 13 31.0 0.3 . 1 . . . . . . . . 4475 1 366 . 1 1 39 39 LYS CG C 13 22.2 0.3 . 4 . . . . . . . . 4475 1 367 . 1 1 39 39 LYS CD C 13 25.8 0.3 . 4 . . . . . . . . 4475 1 368 . 1 1 39 39 LYS CE C 13 39.2 0.3 . 1 . . . . . . . . 4475 1 369 . 1 1 39 39 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 4475 1 370 . 1 1 40 40 SER H H 1 8.85 0.02 . 1 . . . . . . . . 4475 1 371 . 1 1 40 40 SER HA H 1 4.13 0.02 . 1 . . . . . . . . 4475 1 372 . 1 1 40 40 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 4475 1 373 . 1 1 40 40 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4475 1 374 . 1 1 40 40 SER CA C 13 55.7 0.3 . 1 . . . . . . . . 4475 1 375 . 1 1 40 40 SER CB C 13 58.2 0.3 . 1 . . . . . . . . 4475 1 376 . 1 1 40 40 SER N N 15 116.2 0.3 . 1 . . . . . . . . 4475 1 377 . 1 1 41 41 CYS H H 1 8.16 0.02 . 1 . . . . . . . . 4475 1 378 . 1 1 41 41 CYS HA H 1 4.42 0.02 . 1 . . . . . . . . 4475 1 379 . 1 1 41 41 CYS HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4475 1 380 . 1 1 41 41 CYS HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4475 1 381 . 1 1 41 41 CYS CA C 13 53.4 0.3 . 1 . . . . . . . . 4475 1 382 . 1 1 41 41 CYS CB C 13 37.4 0.3 . 1 . . . . . . . . 4475 1 383 . 1 1 41 41 CYS N N 15 118.3 0.2 . 1 . . . . . . . . 4475 1 384 . 1 1 42 42 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 4475 1 385 . 1 1 42 42 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4475 1 386 . 1 1 42 42 GLU HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4475 1 387 . 1 1 42 42 GLU HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4475 1 388 . 1 1 42 42 GLU HG2 H 1 2.17 0.02 . 1 . . . . . . . . 4475 1 389 . 1 1 42 42 GLU HG3 H 1 2.17 0.02 . 1 . . . . . . . . 4475 1 390 . 1 1 42 42 GLU CA C 13 54.7 0.3 . 1 . . . . . . . . 4475 1 391 . 1 1 42 42 GLU CB C 13 26.5 0.3 . 1 . . . . . . . . 4475 1 392 . 1 1 42 42 GLU CG C 13 32.7 0.3 . 1 . . . . . . . . 4475 1 393 . 1 1 42 42 GLU CD C 13 184.0 0.2 . 1 . . . . . . . . 4475 1 394 . 1 1 42 42 GLU N N 15 121.4 0.2 . 1 . . . . . . . . 4475 1 395 . 1 1 43 43 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 4475 1 396 . 1 1 43 43 GLY HA2 H 1 3.82 0.02 . 1 . . . . . . . . 4475 1 397 . 1 1 43 43 GLY HA3 H 1 3.82 0.02 . 1 . . . . . . . . 4475 1 398 . 1 1 43 43 GLY CA C 13 43.0 0.3 . 1 . . . . . . . . 4475 1 399 . 1 1 43 43 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 4475 1 400 . 1 1 44 44 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 4475 1 401 . 1 1 44 44 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 4475 1 402 . 1 1 44 44 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 4475 1 403 . 1 1 44 44 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4475 1 404 . 1 1 44 44 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4475 1 405 . 1 1 44 44 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4475 1 406 . 1 1 44 44 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 4475 1 407 . 1 1 44 44 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 4475 1 408 . 1 1 44 44 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 4475 1 409 . 1 1 44 44 VAL CA C 13 61.2 0.3 . 1 . . . . . . . . 4475 1 410 . 1 1 44 44 VAL CB C 13 29.9 0.3 . 1 . . . . . . . . 4475 1 411 . 1 1 44 44 VAL CG1 C 13 21.7 0.3 . 2 . . . . . . . . 4475 1 412 . 1 1 44 44 VAL CG2 C 13 18.1 0.3 . 2 . . . . . . . . 4475 1 413 . 1 1 44 44 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 4475 1 stop_ save_