data_16768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16768 _Entry.Title ; EGF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-08 _Entry.Accession_date 2010-03-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Huang 'Hsiao Wen' . . . 16768 2 Sepuru Mohan . K. . 16768 3 Yu Chin . . . 16768 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' . 16768 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'epithermal growth factor' . 16768 'NMR structure' . 16768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 184 16768 '15N chemical shifts' 48 16768 '1H chemical shifts' 262 16768 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-11-08 2010-03-08 update BMRB 'switch the chemicla shifts of H and N of 11 ASP' 16768 1 . . 2011-11-28 2010-03-08 original author 'original release' 16768 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KV4 'BMRB Entry Tracking System' 16768 stop_ save_ ############### # Citations # ############### save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 16768 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21029725 _Citation.Full_citation 'M. Nilges and S.I. O'Donoghue. Ambiguous NOEs and automated NOE assignment. Prog.NMR spectr. 32:107-139, 1998.' _Citation.Title 'The NMR solution structure of human epidermal growth factor (hEGF) at physiological pH and its interactions with suramin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 402 _Citation.Journal_issue 4 _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 705 _Citation.Page_last 710 _Citation.Year 2010 _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 'Hsiao Wen' Huang . . . 16768 1 2 Sepuru Mohan . K. . 16768 1 3 Chin Yu . . . 16768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16768 _Assembly.ID 1 _Assembly.Name hEGF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hEGF 1 $entity A . yes native no no . . . 16768 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 16768 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . 16768 1 3 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 16768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16768 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hEGF _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 ; NSDSECPLSHDGYCLHDGVC MYIEALDKYACNCVVGYIGE RCQYRDLKWWELR ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6229.053 _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 1377 . "epidermal growth factor" . . . . . 90.57 48 100.00 100.00 8.09e-26 . . . . 16768 1 2 no BMRB 1378 . "epidermal growth factor" . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 3 no BMRB 2075 . "epidermal growth factor" . . . . . 98.11 52 100.00 100.00 2.37e-29 . . . . 16768 1 4 no BMRB 2076 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 2.34e-28 . . . . 16768 1 5 no BMRB 2077 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 1.69e-28 . . . . 16768 1 6 no BMRB 2078 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 1.99e-28 . . . . 16768 1 7 no PDB 1IVO . "Crystal Structure Of The Complex Of Human Epidermal Growth Factor And Receptor Extracellular Domains." . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 8 no PDB 1JL9 . "Crystal Structure Of Human Epidermal Growth Factor" . . . . . 96.23 51 100.00 100.00 1.08e-28 . . . . 16768 1 9 no PDB 1NQL . "Structure Of The Extracellular Domain Of Human Epidermal Growth Factor (egf) Receptor In An Inactive (low Ph) Complex With Egf." . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 10 no PDB 2KV4 . Egf . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 11 no PDB 3NJP . "The Extracellular And Transmembrane Domain Interfaces In Epidermal Growth Factor Receptor Signaling" . . . . . 88.68 47 100.00 100.00 1.06e-25 . . . . 16768 1 12 no DBJ BAG61319 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1165 100.00 100.00 4.40e-28 . . . . 16768 1 13 no EMBL CAA28240 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1207 100.00 100.00 5.18e-28 . . . . 16768 1 14 no EMBL CCA96179 . "human SP1-epidermal growth factor [synthetic construct]" . . . . . 100.00 77 100.00 100.00 1.31e-30 . . . . 16768 1 15 no EMBL CEK41095 . "Skin permeable EGF [synthetic construct]" . . . . . 100.00 99 100.00 100.00 1.44e-30 . . . . 16768 1 16 no GB AAA60744 . "epidermal growth factor [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 16768 1 17 no GB AAA72173 . "epidermal growth factor, partial [synthetic construct]" . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 18 no GB AAA72241 . "epidermal growth factor (urogastrone) [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 16768 1 19 no GB AAA72506 . "epidermal growth factor, partial [synthetic construct]" . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 16768 1 20 no GB AAA72563 . "epidermal growth factor [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 16768 1 21 no REF NP_001171601 . "pro-epidermal growth factor isoform 2 preproprotein [Homo sapiens]" . . . . . 100.00 1166 100.00 100.00 4.44e-28 . . . . 16768 1 22 no REF NP_001171602 . "pro-epidermal growth factor isoform 3 preproprotein [Homo sapiens]" . . . . . 100.00 1165 100.00 100.00 4.71e-28 . . . . 16768 1 23 no REF NP_001954 . "pro-epidermal growth factor isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 1207 100.00 100.00 4.94e-28 . . . . 16768 1 24 no REF XP_001088957 . "PREDICTED: pro-epidermal growth factor isoform 1 [Macaca mulatta]" . . . . . 100.00 1208 98.11 98.11 3.74e-27 . . . . 16768 1 25 no REF XP_002804220 . "PREDICTED: pro-epidermal growth factor isoform 2 [Macaca mulatta]" . . . . . 100.00 1166 98.11 98.11 3.31e-27 . . . . 16768 1 26 no SP P01133 . "RecName: Full=Pro-epidermal growth factor; Short=EGF; Contains: RecName: Full=Epidermal growth factor; AltName: Full=Urogastron" . . . . . 100.00 1207 100.00 100.00 4.94e-28 . . . . 16768 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 . ASN . 16768 1 2 . SER . 16768 1 3 . ASP . 16768 1 4 . SER . 16768 1 5 . GLU . 16768 1 6 . CYS . 16768 1 7 . PRO . 16768 1 8 . LEU . 16768 1 9 . SER . 16768 1 10 . HIS . 16768 1 11 . ASP . 16768 1 12 . GLY . 16768 1 13 . TYR . 16768 1 14 . CYS . 16768 1 15 . LEU . 16768 1 16 . HIS . 16768 1 17 . ASP . 16768 1 18 . GLY . 16768 1 19 . VAL . 16768 1 20 . CYS . 16768 1 21 . MET . 16768 1 22 . TYR . 16768 1 23 . ILE . 16768 1 24 . GLU . 16768 1 25 . ALA . 16768 1 26 . LEU . 16768 1 27 . ASP . 16768 1 28 . LYS . 16768 1 29 . TYR . 16768 1 30 . ALA . 16768 1 31 . CYS . 16768 1 32 . ASN . 16768 1 33 . CYS . 16768 1 34 . VAL . 16768 1 35 . VAL . 16768 1 36 . GLY . 16768 1 37 . TYR . 16768 1 38 . ILE . 16768 1 39 . GLY . 16768 1 40 . GLU . 16768 1 41 . ARG . 16768 1 42 . CYS . 16768 1 43 . GLN . 16768 1 44 . TYR . 16768 1 45 . ARG . 16768 1 46 . ASP . 16768 1 47 . LEU . 16768 1 48 . LYS . 16768 1 49 . TRP . 16768 1 50 . TRP . 16768 1 51 . GLU . 16768 1 52 . LEU . 16768 1 53 . ARG . 16768 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 . ASN 1 1 16768 1 . SER 2 2 16768 1 . ASP 3 3 16768 1 . SER 4 4 16768 1 . GLU 5 5 16768 1 . CYS 6 6 16768 1 . PRO 7 7 16768 1 . LEU 8 8 16768 1 . SER 9 9 16768 1 . HIS 10 10 16768 1 . ASP 11 11 16768 1 . GLY 12 12 16768 1 . TYR 13 13 16768 1 . CYS 14 14 16768 1 . LEU 15 15 16768 1 . HIS 16 16 16768 1 . ASP 17 17 16768 1 . GLY 18 18 16768 1 . VAL 19 19 16768 1 . CYS 20 20 16768 1 . MET 21 21 16768 1 . TYR 22 22 16768 1 . ILE 23 23 16768 1 . GLU 24 24 16768 1 . ALA 25 25 16768 1 . LEU 26 26 16768 1 . ASP 27 27 16768 1 . LYS 28 28 16768 1 . TYR 29 29 16768 1 . ALA 30 30 16768 1 . CYS 31 31 16768 1 . ASN 32 32 16768 1 . CYS 33 33 16768 1 . VAL 34 34 16768 1 . VAL 35 35 16768 1 . GLY 36 36 16768 1 . TYR 37 37 16768 1 . ILE 38 38 16768 1 . GLY 39 39 16768 1 . GLU 40 40 16768 1 . ARG 41 41 16768 1 . CYS 42 42 16768 1 . GLN 43 43 16768 1 . TYR 44 44 16768 1 . ARG 45 45 16768 1 . ASP 46 46 16768 1 . LEU 47 47 16768 1 . LYS 48 48 16768 1 . TRP 49 49 16768 1 . TRP 50 50 16768 1 . GLU 51 51 16768 1 . LEU 52 52 16768 1 . ARG 53 53 16768 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 16768 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens 'Origami B (DE3)' . . . . . . . . . . . . . . . . . . . . 16768 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 16768 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Origami B (DE3)' . . . . . . . . . . . . . . . pET-32a . . . . . . 16768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16768 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 16768 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16768 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16768 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16768 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16768 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16768 _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' 0.07 . M 16768 1 pH 6.8 . pH 16768 1 pressure 1 . atm 16768 1 temperature 298 . K 16768 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 16768 _Software.ID 1 _Software.Name ARIA _Software.Version 1.1 _Software.Details 'ARIA 1.1 is using CNS 1.1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 16768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated NOE assignment' 16768 1 'NMR structure calculation' 16768 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 1 $reference_1 16768 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16768 _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 'Uniform NMR System' . 700 . . . 16768 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 16768 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16768 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 16768 _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 dioxane 'methylene carbon' . . . . ppm 67.4 internal direct 1.0 . . . . . . . . . 16768 1 H 1 TSP 'methyl hydrogen' . . . . ppm 0 external direct 1.0 . . . . . . . . . 16768 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16768 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 16768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Derived from the file: /home/hanmin/EGF/run89/data/15N/15N.ppm' _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' . . . 16768 1 2 '3D CBCA(CO)NH' . . . 16768 1 3 '3D C(CO)NH' . . . 16768 1 4 '3D HNCO' . . . 16768 1 5 '3D HNCA' . . . 16768 1 6 '3D HNCACB' . . . 16768 1 7 '3D HBHA(CO)NH' . . . 16768 1 8 '3D HN(CO)CA' . . . 16768 1 9 '3D HCCH-TOCSY' . . . 16768 1 10 '3D 1H-13C NOESY' . . . 16768 1 11 '3D 1H-15N NOESY' . . . 16768 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Aria . . 16768 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 ASN HA H 1 4.638 0.002 . 1 . . . . 1 ASN HA . 16768 1 2 . 1 1 1 1 ASN HB2 H 1 2.66 0.002 . 1 . . . . 1 ASN HB1 . 16768 1 3 . 1 1 1 1 ASN HB3 H 1 2.731 0.002 . 2 . . . . 1 ASN HB2 . 16768 1 4 . 1 1 1 1 ASN C C 13 175.2 0.002 . 1 . . . . 1 ASN C . 16768 1 5 . 1 1 1 1 ASN CA C 13 53.73 0.002 . 1 . . . . 1 ASN CA . 16768 1 6 . 1 1 1 1 ASN CB C 13 39.08 0.002 . 1 . . . . 1 ASN CB . 16768 1 7 . 1 1 2 2 SER H H 1 8.186 0.002 . 1 . . . . 2 SER H . 16768 1 8 . 1 1 2 2 SER HA H 1 4.495 0.002 . 1 . . . . 2 SER HA . 16768 1 9 . 1 1 2 2 SER HB2 H 1 3.766 0.002 . 1 . . . . 2 SER HB1 . 16768 1 10 . 1 1 2 2 SER HB3 H 1 3.882 0.002 . 2 . . . . 2 SER HB2 . 16768 1 11 . 1 1 2 2 SER C C 13 174.3 0.002 . 1 . . . . 2 SER C . 16768 1 12 . 1 1 2 2 SER CA C 13 58.75 0.002 . 1 . . . . 2 SER CA . 16768 1 13 . 1 1 2 2 SER CB C 13 64.38 0.002 . 1 . . . . 2 SER CB . 16768 1 14 . 1 1 2 2 SER N N 15 119.5 0.002 . 1 . . . . 2 SER N . 16768 1 15 . 1 1 3 3 ASP H H 1 8.2 0.002 . 1 . . . . 3 ASP H . 16768 1 16 . 1 1 3 3 ASP HA H 1 4.558 0.002 . 1 . . . . 3 ASP HA . 16768 1 17 . 1 1 3 3 ASP HB2 H 1 2.542 0.002 . 1 . . . . 3 ASP HB1 . 16768 1 18 . 1 1 3 3 ASP HB3 H 1 2.59 0.002 . 2 . . . . 3 ASP HB2 . 16768 1 19 . 1 1 3 3 ASP C C 13 176.0 0.002 . 1 . . . . 3 ASP C . 16768 1 20 . 1 1 3 3 ASP CA C 13 54.91 0.002 . 1 . . . . 3 ASP CA . 16768 1 21 . 1 1 3 3 ASP CB C 13 41.41 0.002 . 1 . . . . 3 ASP CB . 16768 1 22 . 1 1 3 3 ASP N N 15 126.3 0.002 . 1 . . . . 3 ASP N . 16768 1 23 . 1 1 4 4 SER H H 1 8.133 0.002 . 1 . . . . 4 SER H . 16768 1 24 . 1 1 4 4 SER CA C 13 58.45 0.002 . 1 . . . . 4 SER CA . 16768 1 25 . 1 1 4 4 SER CB C 13 64.85 0.002 . 1 . . . . 4 SER CB . 16768 1 26 . 1 1 4 4 SER N N 15 118.8 0.002 . 1 . . . . 4 SER N . 16768 1 27 . 1 1 7 7 PRO HA H 1 4.311 0.002 . 1 . . . . 7 PRO HA . 16768 1 28 . 1 1 7 7 PRO HB2 H 1 1.843 0.002 . 1 . . . . 7 PRO HB1 . 16768 1 29 . 1 1 7 7 PRO HB3 H 1 1.988 0.002 . 2 . . . . 7 PRO HB2 . 16768 1 30 . 1 1 7 7 PRO HD2 H 1 2.542 0.002 . 2 . . . . 7 PRO HD2 . 16768 1 31 . 1 1 7 7 PRO HG2 H 1 1.557 0.002 . 2 . . . . 7 PRO HG2 . 16768 1 32 . 1 1 7 7 PRO C C 13 177.1 0.002 . 1 . . . . 7 PRO C . 16768 1 33 . 1 1 7 7 PRO CA C 13 62.3 0.002 . 1 . . . . 7 PRO CA . 16768 1 34 . 1 1 7 7 PRO CB C 13 31.98 0.002 . 1 . . . . 7 PRO CB . 16768 1 35 . 1 1 7 7 PRO CG C 13 27.9 0.002 . 1 . . . . 7 PRO CG . 16768 1 36 . 1 1 8 8 LEU H H 1 8.247 0.002 . 1 . . . . 8 LEU H . 16768 1 37 . 1 1 8 8 LEU HA H 1 3.897 0.002 . 1 . . . . 8 LEU HA . 16768 1 38 . 1 1 8 8 LEU HB2 H 1 1.427 0.002 . 2 . . . . 8 LEU HB2 . 16768 1 39 . 1 1 8 8 LEU HD11 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 40 . 1 1 8 8 LEU HD12 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 41 . 1 1 8 8 LEU HD13 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 42 . 1 1 8 8 LEU HD21 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 43 . 1 1 8 8 LEU HD22 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 44 . 1 1 8 8 LEU HD23 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 45 . 1 1 8 8 LEU HG H 1 1.577 0.002 . 1 . . . . 8 LEU HG . 16768 1 46 . 1 1 8 8 LEU C C 13 178.4 0.002 . 1 . . . . 8 LEU C . 16768 1 47 . 1 1 8 8 LEU CA C 13 57.57 0.002 . 1 . . . . 8 LEU CA . 16768 1 48 . 1 1 8 8 LEU CB C 13 41.87 0.002 . 1 . . . . 8 LEU CB . 16768 1 49 . 1 1 8 8 LEU CD1 C 13 24.66 0.002 . 2 . . . . 8 LEU CD1 . 16768 1 50 . 1 1 8 8 LEU CD2 C 13 24.18 0.002 . 2 . . . . 8 LEU CD2 . 16768 1 51 . 1 1 8 8 LEU CG C 13 27.15 0.002 . 1 . . . . 8 LEU CG . 16768 1 52 . 1 1 8 8 LEU N N 15 127.2 0.002 . 1 . . . . 8 LEU N . 16768 1 53 . 1 1 9 9 SER H H 1 7.878 0.002 . 1 . . . . 9 SER H . 16768 1 54 . 1 1 9 9 SER HA H 1 3.993 0.002 . 1 . . . . 9 SER HA . 16768 1 55 . 1 1 9 9 SER HB2 H 1 3.703 0.002 . 1 . . . . 9 SER HB1 . 16768 1 56 . 1 1 9 9 SER HB3 H 1 3.778 0.002 . 2 . . . . 9 SER HB2 . 16768 1 57 . 1 1 9 9 SER CA C 13 59.44 0.002 . 1 . . . . 9 SER CA . 16768 1 58 . 1 1 9 9 SER CB C 13 62.45 0.002 . 1 . . . . 9 SER CB . 16768 1 59 . 1 1 9 9 SER N N 15 116.3 0.002 . 1 . . . . 9 SER N . 16768 1 60 . 1 1 10 10 HIS HA H 1 4.312 0.002 . 1 . . . . 10 HIS HA . 16768 1 61 . 1 1 10 10 HIS HB2 H 1 2.44 0.002 . 1 . . . . 10 HIS HB1 . 16768 1 62 . 1 1 10 10 HIS HB3 H 1 3.141 0.002 . 2 . . . . 10 HIS HB2 . 16768 1 63 . 1 1 10 10 HIS C C 13 174.9 0.002 . 1 . . . . 10 HIS C . 16768 1 64 . 1 1 10 10 HIS CA C 13 56.62 0.002 . 1 . . . . 10 HIS CA . 16768 1 65 . 1 1 10 10 HIS CB C 13 31.11 0.002 . 1 . . . . 10 HIS CB . 16768 1 66 . 1 1 11 11 ASP H H 1 7.808 0.002 . 1 . . . . 11 ASP H . 16768 1 67 . 1 1 11 11 ASP HA H 1 4.342 0.002 . 1 . . . . 11 ASP HA . 16768 1 68 . 1 1 11 11 ASP HB2 H 1 2.485 0.002 . 1 . . . . 11 ASP HB1 . 16768 1 69 . 1 1 11 11 ASP HB3 H 1 2.57 0.002 . 2 . . . . 11 ASP HB2 . 16768 1 70 . 1 1 11 11 ASP C C 13 177.2 0.002 . 1 . . . . 11 ASP C . 16768 1 71 . 1 1 11 11 ASP CA C 13 56.43 0.002 . 1 . . . . 11 ASP CA . 16768 1 72 . 1 1 11 11 ASP CB C 13 40.91 0.002 . 1 . . . . 11 ASP CB . 16768 1 73 . 1 1 11 11 ASP N N 15 127.5 0.002 . 1 . . . . 11 ASP N . 16768 1 74 . 1 1 12 12 GLY H H 1 8.478 0.002 . 1 . . . . 12 GLY H . 16768 1 75 . 1 1 12 12 GLY HA2 H 1 3.728 0.002 . 1 . . . . 12 GLY HA1 . 16768 1 76 . 1 1 12 12 GLY C C 13 174.2 0.002 . 1 . . . . 12 GLY C . 16768 1 77 . 1 1 12 12 GLY CA C 13 46.39 0.002 . 1 . . . . 12 GLY CA . 16768 1 78 . 1 1 12 12 GLY N N 15 115.4 0.002 . 1 . . . . 12 GLY N . 16768 1 79 . 1 1 13 13 TYR H H 1 7.623 0.002 . 1 . . . . 13 TYR H . 16768 1 80 . 1 1 13 13 TYR HA H 1 3.827 0.002 . 1 . . . . 13 TYR HA . 16768 1 81 . 1 1 13 13 TYR HB2 H 1 2.736 0.002 . 1 . . . . 13 TYR HB1 . 16768 1 82 . 1 1 13 13 TYR HB3 H 1 2.839 0.002 . 2 . . . . 13 TYR HB2 . 16768 1 83 . 1 1 13 13 TYR C C 13 175.7 0.002 . 1 . . . . 13 TYR C . 16768 1 84 . 1 1 13 13 TYR CA C 13 61.64 0.002 . 1 . . . . 13 TYR CA . 16768 1 85 . 1 1 13 13 TYR CB C 13 39.96 0.002 . 1 . . . . 13 TYR CB . 16768 1 86 . 1 1 13 13 TYR N N 15 124.9 0.002 . 1 . . . . 13 TYR N . 16768 1 87 . 1 1 14 14 CYS H H 1 8.506 0.002 . 1 . . . . 14 CYS H . 16768 1 88 . 1 1 14 14 CYS HA H 1 4.181 0.002 . 1 . . . . 14 CYS HA . 16768 1 89 . 1 1 14 14 CYS HB2 H 1 2.202 0.002 . 1 . . . . 14 CYS HB1 . 16768 1 90 . 1 1 14 14 CYS HB3 H 1 2.484 0.002 . 2 . . . . 14 CYS HB2 . 16768 1 91 . 1 1 14 14 CYS C C 13 173.7 0.002 . 1 . . . . 14 CYS C . 16768 1 92 . 1 1 14 14 CYS CA C 13 53.15 0.002 . 1 . . . . 14 CYS CA . 16768 1 93 . 1 1 14 14 CYS CB C 13 38.48 0.002 . 1 . . . . 14 CYS CB . 16768 1 94 . 1 1 14 14 CYS N N 15 118.7 0.002 . 1 . . . . 14 CYS N . 16768 1 95 . 1 1 15 15 LEU H H 1 7.912 0.002 . 1 . . . . 15 LEU H . 16768 1 96 . 1 1 15 15 LEU HA H 1 3.863 0.002 . 1 . . . . 15 LEU HA . 16768 1 97 . 1 1 15 15 LEU HB2 H 1 0.5254 0.002 . 1 . . . . 15 LEU HB1 . 16768 1 98 . 1 1 15 15 LEU HB3 H 1 1.28 0.002 . 2 . . . . 15 LEU HB2 . 16768 1 99 . 1 1 15 15 LEU HD11 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 100 . 1 1 15 15 LEU HD12 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 101 . 1 1 15 15 LEU HD13 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 102 . 1 1 15 15 LEU HG H 1 1.374 0.002 . 1 . . . . 15 LEU HG . 16768 1 103 . 1 1 15 15 LEU C C 13 176.5 0.002 . 1 . . . . 15 LEU C . 16768 1 104 . 1 1 15 15 LEU CA C 13 54.63 0.002 . 1 . . . . 15 LEU CA . 16768 1 105 . 1 1 15 15 LEU CB C 13 42.54 0.002 . 1 . . . . 15 LEU CB . 16768 1 106 . 1 1 15 15 LEU CD1 C 13 25.18 0.002 . 2 . . . . 15 LEU CD1 . 16768 1 107 . 1 1 15 15 LEU CD2 C 13 22.55 0.002 . 2 . . . . 15 LEU CD2 . 16768 1 108 . 1 1 15 15 LEU CG C 13 27.69 0.002 . 1 . . . . 15 LEU CG . 16768 1 109 . 1 1 15 15 LEU N N 15 127.7 0.002 . 1 . . . . 15 LEU N . 16768 1 110 . 1 1 16 16 HIS H H 1 8.475 0.002 . 1 . . . . 16 HIS H . 16768 1 111 . 1 1 16 16 HIS HA H 1 3.726 0.002 . 1 . . . . 16 HIS HA . 16768 1 112 . 1 1 16 16 HIS HB2 H 1 1.993 0.002 . 1 . . . . 16 HIS HB1 . 16768 1 113 . 1 1 16 16 HIS HB3 H 1 2.156 0.002 . 2 . . . . 16 HIS HB2 . 16768 1 114 . 1 1 16 16 HIS C C 13 176.0 0.002 . 1 . . . . 16 HIS C . 16768 1 115 . 1 1 16 16 HIS CA C 13 57.35 0.002 . 1 . . . . 16 HIS CA . 16768 1 116 . 1 1 16 16 HIS CB C 13 25.58 0.002 . 1 . . . . 16 HIS CB . 16768 1 117 . 1 1 16 16 HIS N N 15 118.0 0.002 . 1 . . . . 16 HIS N . 16768 1 118 . 1 1 17 17 ASP H H 1 8.638 0.002 . 1 . . . . 17 ASP H . 16768 1 119 . 1 1 17 17 ASP HA H 1 4.066 0.002 . 1 . . . . 17 ASP HA . 16768 1 120 . 1 1 17 17 ASP HB2 H 1 2.779 0.002 . 2 . . . . 17 ASP HB2 . 16768 1 121 . 1 1 17 17 ASP C C 13 175.1 0.002 . 1 . . . . 17 ASP C . 16768 1 122 . 1 1 17 17 ASP CA C 13 56.15 0.002 . 1 . . . . 17 ASP CA . 16768 1 123 . 1 1 17 17 ASP CB C 13 39.13 0.002 . 1 . . . . 17 ASP CB . 16768 1 124 . 1 1 17 17 ASP N N 15 117.2 0.002 . 1 . . . . 17 ASP N . 16768 1 125 . 1 1 18 18 GLY H H 1 7.143 0.002 . 1 . . . . 18 GLY H . 16768 1 126 . 1 1 18 18 GLY HA2 H 1 4.161 0.002 . 1 . . . . 18 GLY HA1 . 16768 1 127 . 1 1 18 18 GLY HA3 H 1 3.259 0.002 . 2 . . . . 18 GLY HA3 . 16768 1 128 . 1 1 18 18 GLY C C 13 171.6 0.002 . 1 . . . . 18 GLY C . 16768 1 129 . 1 1 18 18 GLY CA C 13 45.95 0.002 . 1 . . . . 18 GLY CA . 16768 1 130 . 1 1 18 18 GLY N N 15 108.3 0.002 . 1 . . . . 18 GLY N . 16768 1 131 . 1 1 19 19 VAL H H 1 7.902 0.002 . 1 . . . . 19 VAL H . 16768 1 132 . 1 1 19 19 VAL HA H 1 4.184 0.002 . 1 . . . . 19 VAL HA . 16768 1 133 . 1 1 19 19 VAL HB H 1 1.881 0.002 . 1 . . . . 19 VAL HB . 16768 1 134 . 1 1 19 19 VAL HG11 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 135 . 1 1 19 19 VAL HG12 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 136 . 1 1 19 19 VAL HG13 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 137 . 1 1 19 19 VAL C C 13 174.8 0.002 . 1 . . . . 19 VAL C . 16768 1 138 . 1 1 19 19 VAL CA C 13 61.67 0.002 . 1 . . . . 19 VAL CA . 16768 1 139 . 1 1 19 19 VAL CB C 13 35.26 0.002 . 1 . . . . 19 VAL CB . 16768 1 140 . 1 1 19 19 VAL N N 15 123.4 0.002 . 1 . . . . 19 VAL N . 16768 1 141 . 1 1 20 20 CYS H H 1 8.85 0.002 . 1 . . . . 20 CYS H . 16768 1 142 . 1 1 20 20 CYS HA H 1 4.937 0.002 . 1 . . . . 20 CYS HA . 16768 1 143 . 1 1 20 20 CYS HB2 H 1 3.134 0.002 . 2 . . . . 20 CYS HB2 . 16768 1 144 . 1 1 20 20 CYS C C 13 173.5 0.002 . 1 . . . . 20 CYS C . 16768 1 145 . 1 1 20 20 CYS CA C 13 57.39 0.002 . 1 . . . . 20 CYS CA . 16768 1 146 . 1 1 20 20 CYS CB C 13 40.01 0.002 . 1 . . . . 20 CYS CB . 16768 1 147 . 1 1 20 20 CYS N N 15 133.1 0.002 . 1 . . . . 20 CYS N . 16768 1 148 . 1 1 21 21 MET H H 1 9.237 0.002 . 1 . . . . 21 MET H . 16768 1 149 . 1 1 21 21 MET HA H 1 4.777 0.002 . 1 . . . . 21 MET HA . 16768 1 150 . 1 1 21 21 MET HB2 H 1 1.858 0.002 . 1 . . . . 21 MET HB1 . 16768 1 151 . 1 1 21 21 MET HB3 H 1 1.908 0.002 . 2 . . . . 21 MET HB2 . 16768 1 152 . 1 1 21 21 MET HG2 H 1 2.288 0.002 . 1 . . . . 21 MET HG1 . 16768 1 153 . 1 1 21 21 MET HG3 H 1 2.358 0.002 . 2 . . . . 21 MET HG2 . 16768 1 154 . 1 1 21 21 MET C C 13 173.1 0.002 . 1 . . . . 21 MET C . 16768 1 155 . 1 1 21 21 MET CA C 13 55.17 0.002 . 1 . . . . 21 MET CA . 16768 1 156 . 1 1 21 21 MET CB C 13 36.51 0.002 . 1 . . . . 21 MET CB . 16768 1 157 . 1 1 21 21 MET CG C 13 31.19 0.002 . 1 . . . . 21 MET CG . 16768 1 158 . 1 1 21 21 MET N N 15 131.9 0.002 . 1 . . . . 21 MET N . 16768 1 159 . 1 1 22 22 TYR H H 1 8.654 0.002 . 1 . . . . 22 TYR H . 16768 1 160 . 1 1 22 22 TYR HA H 1 4.344 0.002 . 1 . . . . 22 TYR HA . 16768 1 161 . 1 1 22 22 TYR HB2 H 1 2.479 0.002 . 2 . . . . 22 TYR HB2 . 16768 1 162 . 1 1 22 22 TYR C C 13 174.5 0.002 . 1 . . . . 22 TYR C . 16768 1 163 . 1 1 22 22 TYR CA C 13 56.96 0.002 . 1 . . . . 22 TYR CA . 16768 1 164 . 1 1 22 22 TYR CB C 13 39.47 0.002 . 1 . . . . 22 TYR CB . 16768 1 165 . 1 1 22 22 TYR N N 15 126.9 0.002 . 1 . . . . 22 TYR N . 16768 1 166 . 1 1 23 23 ILE H H 1 8.26 0.002 . 1 . . . . 23 ILE H . 16768 1 167 . 1 1 23 23 ILE HA H 1 3.864 0.002 . 1 . . . . 23 ILE HA . 16768 1 168 . 1 1 23 23 ILE HB H 1 1.614 0.002 . 1 . . . . 23 ILE HB . 16768 1 169 . 1 1 23 23 ILE HD11 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 170 . 1 1 23 23 ILE HD12 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 171 . 1 1 23 23 ILE HD13 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 172 . 1 1 23 23 ILE HG12 H 1 0.9671 0.002 . 1 . . . . 23 ILE HG11 . 16768 1 173 . 1 1 23 23 ILE HG13 H 1 1.229 0.002 . 2 . . . . 23 ILE HG12 . 16768 1 174 . 1 1 23 23 ILE HG21 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 175 . 1 1 23 23 ILE HG22 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 176 . 1 1 23 23 ILE HG23 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 177 . 1 1 23 23 ILE C C 13 175.8 0.002 . 1 . . . . 23 ILE C . 16768 1 178 . 1 1 23 23 ILE CA C 13 59.17 0.002 . 1 . . . . 23 ILE CA . 16768 1 179 . 1 1 23 23 ILE CB C 13 37.01 0.002 . 1 . . . . 23 ILE CB . 16768 1 180 . 1 1 23 23 ILE CD1 C 13 12.7 0.002 . 1 . . . . 23 ILE CD . 16768 1 181 . 1 1 23 23 ILE CG1 C 13 26.62 0.002 . 1 . . . . 23 ILE CG1 . 16768 1 182 . 1 1 23 23 ILE CG2 C 13 18.28 0.002 . 1 . . . . 23 ILE CG2 . 16768 1 183 . 1 1 23 23 ILE N N 15 133.1 0.002 . 1 . . . . 23 ILE N . 16768 1 184 . 1 1 24 24 GLU H H 1 8.272 0.002 . 1 . . . . 24 GLU H . 16768 1 185 . 1 1 24 24 GLU HA H 1 3.238 0.002 . 1 . . . . 24 GLU HA . 16768 1 186 . 1 1 24 24 GLU HB2 H 1 1.797 0.002 . 1 . . . . 24 GLU HB1 . 16768 1 187 . 1 1 24 24 GLU HB3 H 1 1.867 0.002 . 2 . . . . 24 GLU HB2 . 16768 1 188 . 1 1 24 24 GLU HG2 H 1 2.079 0.002 . 1 . . . . 24 GLU HG1 . 16768 1 189 . 1 1 24 24 GLU HG3 H 1 2.203 0.002 . 2 . . . . 24 GLU HG2 . 16768 1 190 . 1 1 24 24 GLU C C 13 178.8 0.002 . 1 . . . . 24 GLU C . 16768 1 191 . 1 1 24 24 GLU CA C 13 60.24 0.002 . 1 . . . . 24 GLU CA . 16768 1 192 . 1 1 24 24 GLU CB C 13 29.51 0.002 . 1 . . . . 24 GLU CB . 16768 1 193 . 1 1 24 24 GLU CG C 13 35.93 0.002 . 1 . . . . 24 GLU CG . 16768 1 194 . 1 1 24 24 GLU N N 15 133.5 0.002 . 1 . . . . 24 GLU N . 16768 1 195 . 1 1 25 25 ALA H H 1 8.651 0.002 . 1 . . . . 25 ALA H . 16768 1 196 . 1 1 25 25 ALA HA H 1 3.879 0.002 . 1 . . . . 25 ALA HA . 16768 1 197 . 1 1 25 25 ALA HB1 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 198 . 1 1 25 25 ALA HB2 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 199 . 1 1 25 25 ALA HB3 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 200 . 1 1 25 25 ALA C C 13 178.1 0.002 . 1 . . . . 25 ALA C . 16768 1 201 . 1 1 25 25 ALA CA C 13 54.82 0.002 . 1 . . . . 25 ALA CA . 16768 1 202 . 1 1 25 25 ALA CB C 13 18.69 0.002 . 1 . . . . 25 ALA CB . 16768 1 203 . 1 1 25 25 ALA N N 15 122.7 0.002 . 1 . . . . 25 ALA N . 16768 1 204 . 1 1 26 26 LEU H H 1 6.356 0.002 . 1 . . . . 26 LEU H . 16768 1 205 . 1 1 26 26 LEU HA H 1 4.262 0.002 . 1 . . . . 26 LEU HA . 16768 1 206 . 1 1 26 26 LEU HB2 H 1 1.094 0.002 . 1 . . . . 26 LEU HB1 . 16768 1 207 . 1 1 26 26 LEU HB3 H 1 1.402 0.002 . 2 . . . . 26 LEU HB2 . 16768 1 208 . 1 1 26 26 LEU HD11 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 209 . 1 1 26 26 LEU HD12 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 210 . 1 1 26 26 LEU HD13 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 211 . 1 1 26 26 LEU HD21 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 212 . 1 1 26 26 LEU HD22 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 213 . 1 1 26 26 LEU HD23 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 214 . 1 1 26 26 LEU HG H 1 1.3 0.002 . 1 . . . . 26 LEU HG . 16768 1 215 . 1 1 26 26 LEU C C 13 175.4 0.002 . 1 . . . . 26 LEU C . 16768 1 216 . 1 1 26 26 LEU CA C 13 53.51 0.002 . 1 . . . . 26 LEU CA . 16768 1 217 . 1 1 26 26 LEU CB C 13 44.24 0.002 . 1 . . . . 26 LEU CB . 16768 1 218 . 1 1 26 26 LEU CD1 C 13 25.55 0.002 . 2 . . . . 26 LEU CD1 . 16768 1 219 . 1 1 26 26 LEU CD2 C 13 22.23 0.002 . 2 . . . . 26 LEU CD2 . 16768 1 220 . 1 1 26 26 LEU CG C 13 26.88 0.002 . 1 . . . . 26 LEU CG . 16768 1 221 . 1 1 26 26 LEU N N 15 116.2 0.002 . 1 . . . . 26 LEU N . 16768 1 222 . 1 1 27 27 ASP H H 1 7.678 0.002 . 1 . . . . 27 ASP H . 16768 1 223 . 1 1 27 27 ASP HA H 1 3.82 0.002 . 1 . . . . 27 ASP HA . 16768 1 224 . 1 1 27 27 ASP HB2 H 1 2.247 0.002 . 1 . . . . 27 ASP HB1 . 16768 1 225 . 1 1 27 27 ASP HB3 H 1 2.988 0.002 . 2 . . . . 27 ASP HB2 . 16768 1 226 . 1 1 27 27 ASP C C 13 173.4 0.002 . 1 . . . . 27 ASP C . 16768 1 227 . 1 1 27 27 ASP CA C 13 54.77 0.002 . 1 . . . . 27 ASP CA . 16768 1 228 . 1 1 27 27 ASP CB C 13 39.85 0.002 . 1 . . . . 27 ASP CB . 16768 1 229 . 1 1 27 27 ASP N N 15 124.0 0.002 . 1 . . . . 27 ASP N . 16768 1 230 . 1 1 28 28 LYS H H 1 6.649 0.002 . 1 . . . . 28 LYS H . 16768 1 231 . 1 1 28 28 LYS HA H 1 4.529 0.002 . 1 . . . . 28 LYS HA . 16768 1 232 . 1 1 28 28 LYS HB2 H 1 1.432 0.002 . 1 . . . . 28 LYS HB1 . 16768 1 233 . 1 1 28 28 LYS HB3 H 1 1.535 0.002 . 2 . . . . 28 LYS HB2 . 16768 1 234 . 1 1 28 28 LYS HD2 H 1 1.527 0.002 . 2 . . . . 28 LYS HD2 . 16768 1 235 . 1 1 28 28 LYS HE2 H 1 2.817 0.002 . 1 . . . . 28 LYS HE1 . 16768 1 236 . 1 1 28 28 LYS HE3 H 1 2.859 0.002 . 2 . . . . 28 LYS HE2 . 16768 1 237 . 1 1 28 28 LYS HG2 H 1 1.11 0.002 . 2 . . . . 28 LYS HG2 . 16768 1 238 . 1 1 28 28 LYS C C 13 173.4 0.002 . 1 . . . . 28 LYS C . 16768 1 239 . 1 1 28 28 LYS CA C 13 54.49 0.002 . 1 . . . . 28 LYS CA . 16768 1 240 . 1 1 28 28 LYS CB C 13 37.12 0.002 . 1 . . . . 28 LYS CB . 16768 1 241 . 1 1 28 28 LYS CD C 13 29.51 0.002 . 1 . . . . 28 LYS CD . 16768 1 242 . 1 1 28 28 LYS CE C 13 42.22 0.002 . 1 . . . . 28 LYS CE . 16768 1 243 . 1 1 28 28 LYS CG C 13 24.03 0.002 . 1 . . . . 28 LYS CG . 16768 1 244 . 1 1 28 28 LYS N N 15 118.1 0.002 . 1 . . . . 28 LYS N . 16768 1 245 . 1 1 29 29 TYR H H 1 8.429 0.002 . 1 . . . . 29 TYR H . 16768 1 246 . 1 1 29 29 TYR HA H 1 4.975 0.002 . 1 . . . . 29 TYR HA . 16768 1 247 . 1 1 29 29 TYR HB2 H 1 2.474 0.002 . 1 . . . . 29 TYR HB1 . 16768 1 248 . 1 1 29 29 TYR HB3 H 1 2.596 0.002 . 2 . . . . 29 TYR HB2 . 16768 1 249 . 1 1 29 29 TYR C C 13 175.0 0.002 . 1 . . . . 29 TYR C . 16768 1 250 . 1 1 29 29 TYR CA C 13 57.97 0.002 . 1 . . . . 29 TYR CA . 16768 1 251 . 1 1 29 29 TYR CB C 13 39.49 0.002 . 1 . . . . 29 TYR CB . 16768 1 252 . 1 1 29 29 TYR N N 15 125.2 0.002 . 1 . . . . 29 TYR N . 16768 1 253 . 1 1 30 30 ALA H H 1 9.201 0.002 . 1 . . . . 30 ALA H . 16768 1 254 . 1 1 30 30 ALA HA H 1 4.765 0.002 . 1 . . . . 30 ALA HA . 16768 1 255 . 1 1 30 30 ALA HB1 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 256 . 1 1 30 30 ALA HB2 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 257 . 1 1 30 30 ALA HB3 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 258 . 1 1 30 30 ALA C C 13 175.6 0.002 . 1 . . . . 30 ALA C . 16768 1 259 . 1 1 30 30 ALA CA C 13 51.01 0.002 . 1 . . . . 30 ALA CA . 16768 1 260 . 1 1 30 30 ALA CB C 13 23.3 0.002 . 1 . . . . 30 ALA CB . 16768 1 261 . 1 1 30 30 ALA N N 15 129.9 0.002 . 1 . . . . 30 ALA N . 16768 1 262 . 1 1 31 31 CYS H H 1 8.741 0.002 . 1 . . . . 31 CYS H . 16768 1 263 . 1 1 31 31 CYS HA H 1 5.104 0.002 . 1 . . . . 31 CYS HA . 16768 1 264 . 1 1 31 31 CYS HB2 H 1 2.45 0.002 . 1 . . . . 31 CYS HB1 . 16768 1 265 . 1 1 31 31 CYS HB3 H 1 2.683 0.002 . 2 . . . . 31 CYS HB2 . 16768 1 266 . 1 1 31 31 CYS C C 13 174.2 0.002 . 1 . . . . 31 CYS C . 16768 1 267 . 1 1 31 31 CYS CA C 13 54.65 0.002 . 1 . . . . 31 CYS CA . 16768 1 268 . 1 1 31 31 CYS CB C 13 43.41 0.002 . 1 . . . . 31 CYS CB . 16768 1 269 . 1 1 31 31 CYS N N 15 119.3 0.002 . 1 . . . . 31 CYS N . 16768 1 270 . 1 1 32 32 ASN H H 1 9.379 0.002 . 1 . . . . 32 ASN H . 16768 1 271 . 1 1 32 32 ASN HA H 1 4.897 0.002 . 1 . . . . 32 ASN HA . 16768 1 272 . 1 1 32 32 ASN HB2 H 1 2.605 0.002 . 1 . . . . 32 ASN HB1 . 16768 1 273 . 1 1 32 32 ASN HB3 H 1 2.862 0.002 . 2 . . . . 32 ASN HB2 . 16768 1 274 . 1 1 32 32 ASN C C 13 175.5 0.002 . 1 . . . . 32 ASN C . 16768 1 275 . 1 1 32 32 ASN CA C 13 52.14 0.002 . 1 . . . . 32 ASN CA . 16768 1 276 . 1 1 32 32 ASN CB C 13 38.92 0.002 . 1 . . . . 32 ASN CB . 16768 1 277 . 1 1 32 32 ASN N N 15 128.4 0.002 . 1 . . . . 32 ASN N . 16768 1 278 . 1 1 33 33 CYS H H 1 8.765 0.002 . 1 . . . . 33 CYS H . 16768 1 279 . 1 1 33 33 CYS HA H 1 4.619 0.002 . 1 . . . . 33 CYS HA . 16768 1 280 . 1 1 33 33 CYS HB2 H 1 2.549 0.002 . 1 . . . . 33 CYS HB1 . 16768 1 281 . 1 1 33 33 CYS HB3 H 1 3.167 0.002 . 2 . . . . 33 CYS HB2 . 16768 1 282 . 1 1 33 33 CYS C C 13 175.4 0.002 . 1 . . . . 33 CYS C . 16768 1 283 . 1 1 33 33 CYS CA C 13 54.42 0.002 . 1 . . . . 33 CYS CA . 16768 1 284 . 1 1 33 33 CYS CB C 13 38.2 0.002 . 1 . . . . 33 CYS CB . 16768 1 285 . 1 1 33 33 CYS N N 15 128.6 0.002 . 1 . . . . 33 CYS N . 16768 1 286 . 1 1 34 34 VAL H H 1 8.55 0.002 . 1 . . . . 34 VAL H . 16768 1 287 . 1 1 34 34 VAL HA H 1 3.93 0.002 . 1 . . . . 34 VAL HA . 16768 1 288 . 1 1 34 34 VAL HB H 1 2.002 0.002 . 1 . . . . 34 VAL HB . 16768 1 289 . 1 1 34 34 VAL HG11 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 290 . 1 1 34 34 VAL HG12 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 291 . 1 1 34 34 VAL HG13 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 292 . 1 1 34 34 VAL HG21 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 293 . 1 1 34 34 VAL HG22 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 294 . 1 1 34 34 VAL HG23 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 295 . 1 1 34 34 VAL C C 13 175.0 0.002 . 1 . . . . 34 VAL C . 16768 1 296 . 1 1 34 34 VAL CA C 13 62.27 0.002 . 1 . . . . 34 VAL CA . 16768 1 297 . 1 1 34 34 VAL CB C 13 32.72 0.002 . 1 . . . . 34 VAL CB . 16768 1 298 . 1 1 34 34 VAL CG1 C 13 21.57 0.002 . 1 . . . . 34 VAL CG1 . 16768 1 299 . 1 1 34 34 VAL N N 15 126.3 0.002 . 1 . . . . 34 VAL N . 16768 1 300 . 1 1 35 35 VAL H H 1 7.661 0.002 . 1 . . . . 35 VAL H . 16768 1 301 . 1 1 35 35 VAL HA H 1 3.357 0.002 . 1 . . . . 35 VAL HA . 16768 1 302 . 1 1 35 35 VAL HB H 1 1.435 0.002 . 1 . . . . 35 VAL HB . 16768 1 303 . 1 1 35 35 VAL HG11 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 304 . 1 1 35 35 VAL HG12 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 305 . 1 1 35 35 VAL HG13 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 306 . 1 1 35 35 VAL HG21 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 307 . 1 1 35 35 VAL HG22 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 308 . 1 1 35 35 VAL HG23 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 309 . 1 1 35 35 VAL C C 13 174.8 0.002 . 1 . . . . 35 VAL C . 16768 1 310 . 1 1 35 35 VAL CA C 13 64.45 0.002 . 1 . . . . 35 VAL CA . 16768 1 311 . 1 1 35 35 VAL CB C 13 31.22 0.002 . 1 . . . . 35 VAL CB . 16768 1 312 . 1 1 35 35 VAL CG1 C 13 20.61 0.002 . 1 . . . . 35 VAL CG1 . 16768 1 313 . 1 1 35 35 VAL N N 15 125.6 0.002 . 1 . . . . 35 VAL N . 16768 1 314 . 1 1 36 36 GLY H H 1 8.068 0.002 . 1 . . . . 36 GLY H . 16768 1 315 . 1 1 36 36 GLY HA2 H 1 3.713 0.002 . 1 . . . . 36 GLY HA1 . 16768 1 316 . 1 1 36 36 GLY HA3 H 1 2.761 0.002 . 2 . . . . 36 GLY HA3 . 16768 1 317 . 1 1 36 36 GLY C C 13 174.4 0.002 . 1 . . . . 36 GLY C . 16768 1 318 . 1 1 36 36 GLY CA C 13 44.61 0.002 . 1 . . . . 36 GLY CA . 16768 1 319 . 1 1 36 36 GLY N N 15 115.5 0.002 . 1 . . . . 36 GLY N . 16768 1 320 . 1 1 37 37 TYR H H 1 8.056 0.002 . 1 . . . . 37 TYR H . 16768 1 321 . 1 1 37 37 TYR HA H 1 5.289 0.002 . 1 . . . . 37 TYR HA . 16768 1 322 . 1 1 37 37 TYR HB2 H 1 2.717 0.002 . 1 . . . . 37 TYR HB1 . 16768 1 323 . 1 1 37 37 TYR HB3 H 1 2.835 0.002 . 2 . . . . 37 TYR HB2 . 16768 1 324 . 1 1 37 37 TYR C C 13 174.2 0.002 . 1 . . . . 37 TYR C . 16768 1 325 . 1 1 37 37 TYR CA C 13 58.21 0.002 . 1 . . . . 37 TYR CA . 16768 1 326 . 1 1 37 37 TYR CB C 13 41.28 0.002 . 1 . . . . 37 TYR CB . 16768 1 327 . 1 1 37 37 TYR N N 15 125.7 0.002 . 1 . . . . 37 TYR N . 16768 1 328 . 1 1 38 38 ILE H H 1 9.143 0.002 . 1 . . . . 38 ILE H . 16768 1 329 . 1 1 38 38 ILE HA H 1 4.708 0.002 . 1 . . . . 38 ILE HA . 16768 1 330 . 1 1 38 38 ILE HB H 1 1.939 0.002 . 1 . . . . 38 ILE HB . 16768 1 331 . 1 1 38 38 ILE HD11 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 332 . 1 1 38 38 ILE HD12 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 333 . 1 1 38 38 ILE HD13 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 334 . 1 1 38 38 ILE HG12 H 1 1.283 0.002 . 2 . . . . 38 ILE HG12 . 16768 1 335 . 1 1 38 38 ILE HG21 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 336 . 1 1 38 38 ILE HG22 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 337 . 1 1 38 38 ILE HG23 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 338 . 1 1 38 38 ILE C C 13 174.7 0.002 . 1 . . . . 38 ILE C . 16768 1 339 . 1 1 38 38 ILE CA C 13 60.3 0.002 . 1 . . . . 38 ILE CA . 16768 1 340 . 1 1 38 38 ILE CB C 13 43.3 0.002 . 1 . . . . 38 ILE CB . 16768 1 341 . 1 1 38 38 ILE CD1 C 13 14.07 0.002 . 1 . . . . 38 ILE CD . 16768 1 342 . 1 1 38 38 ILE CG1 C 13 26.54 0.002 . 1 . . . . 38 ILE CG1 . 16768 1 343 . 1 1 38 38 ILE CG2 C 13 18.37 0.002 . 1 . . . . 38 ILE CG2 . 16768 1 344 . 1 1 38 38 ILE N N 15 120.0 0.002 . 1 . . . . 38 ILE N . 16768 1 345 . 1 1 39 39 GLY H H 1 7.902 0.002 . 1 . . . . 39 GLY H . 16768 1 346 . 1 1 39 39 GLY HA2 H 1 4.831 0.002 . 1 . . . . 39 GLY HA1 . 16768 1 347 . 1 1 39 39 GLY HA3 H 1 3.827 0.002 . 2 . . . . 39 GLY HA3 . 16768 1 348 . 1 1 39 39 GLY C C 13 176.7 0.002 . 1 . . . . 39 GLY C . 16768 1 349 . 1 1 39 39 GLY CA C 13 43.77 0.002 . 1 . . . . 39 GLY CA . 16768 1 350 . 1 1 39 39 GLY N N 15 110.7 0.002 . 1 . . . . 39 GLY N . 16768 1 351 . 1 1 40 40 GLU H H 1 9.327 0.002 . 1 . . . . 40 GLU H . 16768 1 352 . 1 1 40 40 GLU HA H 1 4.065 0.002 . 1 . . . . 40 GLU HA . 16768 1 353 . 1 1 40 40 GLU HB2 H 1 2.072 0.002 . 2 . . . . 40 GLU HB2 . 16768 1 354 . 1 1 40 40 GLU HG2 H 1 2.265 0.002 . 1 . . . . 40 GLU HG1 . 16768 1 355 . 1 1 40 40 GLU HG3 H 1 2.423 0.002 . 2 . . . . 40 GLU HG2 . 16768 1 356 . 1 1 40 40 GLU C C 13 176.8 0.002 . 1 . . . . 40 GLU C . 16768 1 357 . 1 1 40 40 GLU CA C 13 60.0 0.002 . 1 . . . . 40 GLU CA . 16768 1 358 . 1 1 40 40 GLU CB C 13 29.47 0.002 . 1 . . . . 40 GLU CB . 16768 1 359 . 1 1 40 40 GLU CG C 13 36.5 0.002 . 1 . . . . 40 GLU CG . 16768 1 360 . 1 1 40 40 GLU N N 15 127.6 0.002 . 1 . . . . 40 GLU N . 16768 1 361 . 1 1 41 41 ARG H H 1 8.328 0.002 . 1 . . . . 41 ARG H . 16768 1 362 . 1 1 41 41 ARG HA H 1 4.674 0.002 . 1 . . . . 41 ARG HA . 16768 1 363 . 1 1 41 41 ARG HB2 H 1 0.7638 0.002 . 1 . . . . 41 ARG HB1 . 16768 1 364 . 1 1 41 41 ARG HB3 H 1 2.099 0.002 . 2 . . . . 41 ARG HB2 . 16768 1 365 . 1 1 41 41 ARG HD2 H 1 2.608 0.002 . 1 . . . . 41 ARG HD1 . 16768 1 366 . 1 1 41 41 ARG HD3 H 1 2.698 0.002 . 2 . . . . 41 ARG HD2 . 16768 1 367 . 1 1 41 41 ARG HG2 H 1 1.159 0.002 . 2 . . . . 41 ARG HG2 . 16768 1 368 . 1 1 41 41 ARG C C 13 175.7 0.002 . 1 . . . . 41 ARG C . 16768 1 369 . 1 1 41 41 ARG CA C 13 54.85 0.002 . 1 . . . . 41 ARG CA . 16768 1 370 . 1 1 41 41 ARG CB C 13 30.58 0.002 . 1 . . . . 41 ARG CB . 16768 1 371 . 1 1 41 41 ARG CD C 13 43.6 0.002 . 1 . . . . 41 ARG CD . 16768 1 372 . 1 1 41 41 ARG CG C 13 26.63 0.002 . 1 . . . . 41 ARG CG . 16768 1 373 . 1 1 41 41 ARG N N 15 118.7 0.002 . 1 . . . . 41 ARG N . 16768 1 374 . 1 1 42 42 CYS H H 1 7.649 0.002 . 1 . . . . 42 CYS H . 16768 1 375 . 1 1 42 42 CYS HA H 1 3.841 0.002 . 1 . . . . 42 CYS HA . 16768 1 376 . 1 1 42 42 CYS HB2 H 1 3.003 0.002 . 1 . . . . 42 CYS HB1 . 16768 1 377 . 1 1 42 42 CYS HB3 H 1 3.337 0.002 . 2 . . . . 42 CYS HB2 . 16768 1 378 . 1 1 42 42 CYS C C 13 174.9 0.002 . 1 . . . . 42 CYS C . 16768 1 379 . 1 1 42 42 CYS CA C 13 54.67 0.002 . 1 . . . . 42 CYS CA . 16768 1 380 . 1 1 42 42 CYS CB C 13 36.88 0.002 . 1 . . . . 42 CYS CB . 16768 1 381 . 1 1 42 42 CYS N N 15 116.1 0.002 . 1 . . . . 42 CYS N . 16768 1 382 . 1 1 43 43 GLN H H 1 9.618 0.002 . 1 . . . . 43 GLN H . 16768 1 383 . 1 1 43 43 GLN HA H 1 3.927 0.002 . 1 . . . . 43 GLN HA . 16768 1 384 . 1 1 43 43 GLN HB2 H 1 1.273 0.002 . 1 . . . . 43 GLN HB1 . 16768 1 385 . 1 1 43 43 GLN HB3 H 1 1.623 0.002 . 2 . . . . 43 GLN HB2 . 16768 1 386 . 1 1 43 43 GLN HG2 H 1 1.753 0.002 . 2 . . . . 43 GLN HG2 . 16768 1 387 . 1 1 43 43 GLN C C 13 175.7 0.002 . 1 . . . . 43 GLN C . 16768 1 388 . 1 1 43 43 GLN CA C 13 57.61 0.002 . 1 . . . . 43 GLN CA . 16768 1 389 . 1 1 43 43 GLN CB C 13 28.71 0.002 . 1 . . . . 43 GLN CB . 16768 1 390 . 1 1 43 43 GLN CG C 13 31.63 0.002 . 1 . . . . 43 GLN CG . 16768 1 391 . 1 1 43 43 GLN N N 15 121.0 0.002 . 1 . . . . 43 GLN N . 16768 1 392 . 1 1 44 44 TYR H H 1 8.586 0.002 . 1 . . . . 44 TYR H . 16768 1 393 . 1 1 44 44 TYR HA H 1 5.075 0.002 . 1 . . . . 44 TYR HA . 16768 1 394 . 1 1 44 44 TYR HB2 H 1 2.524 0.002 . 1 . . . . 44 TYR HB1 . 16768 1 395 . 1 1 44 44 TYR HB3 H 1 3.018 0.002 . 2 . . . . 44 TYR HB2 . 16768 1 396 . 1 1 44 44 TYR C C 13 175.1 0.002 . 1 . . . . 44 TYR C . 16768 1 397 . 1 1 44 44 TYR CA C 13 55.67 0.002 . 1 . . . . 44 TYR CA . 16768 1 398 . 1 1 44 44 TYR CB C 13 40.07 0.002 . 1 . . . . 44 TYR CB . 16768 1 399 . 1 1 44 44 TYR N N 15 125.6 0.002 . 1 . . . . 44 TYR N . 16768 1 400 . 1 1 45 45 ARG H H 1 8.61 0.002 . 1 . . . . 45 ARG H . 16768 1 401 . 1 1 45 45 ARG HA H 1 4.149 0.002 . 1 . . . . 45 ARG HA . 16768 1 402 . 1 1 45 45 ARG HB2 H 1 1.24 0.002 . 1 . . . . 45 ARG HB1 . 16768 1 403 . 1 1 45 45 ARG HB3 H 1 1.416 0.002 . 2 . . . . 45 ARG HB2 . 16768 1 404 . 1 1 45 45 ARG HD2 H 1 2.22 0.002 . 1 . . . . 45 ARG HD1 . 16768 1 405 . 1 1 45 45 ARG HD3 H 1 2.364 0.002 . 2 . . . . 45 ARG HD2 . 16768 1 406 . 1 1 45 45 ARG HG2 H 1 0.917 0.002 . 1 . . . . 45 ARG HG1 . 16768 1 407 . 1 1 45 45 ARG HG3 H 1 1.361 0.002 . 2 . . . . 45 ARG HG2 . 16768 1 408 . 1 1 45 45 ARG C C 13 176.1 0.002 . 1 . . . . 45 ARG C . 16768 1 409 . 1 1 45 45 ARG CA C 13 56.49 0.002 . 1 . . . . 45 ARG CA . 16768 1 410 . 1 1 45 45 ARG CB C 13 31.93 0.002 . 1 . . . . 45 ARG CB . 16768 1 411 . 1 1 45 45 ARG CD C 13 43.06 0.002 . 1 . . . . 45 ARG CD . 16768 1 412 . 1 1 45 45 ARG CG C 13 28.24 0.002 . 1 . . . . 45 ARG CG . 16768 1 413 . 1 1 45 45 ARG N N 15 125.0 0.002 . 1 . . . . 45 ARG N . 16768 1 414 . 1 1 46 46 ASP H H 1 8.173 0.002 . 1 . . . . 46 ASP H . 16768 1 415 . 1 1 46 46 ASP HA H 1 4.417 0.002 . 1 . . . . 46 ASP HA . 16768 1 416 . 1 1 46 46 ASP HB2 H 1 2.06 0.002 . 1 . . . . 46 ASP HB1 . 16768 1 417 . 1 1 46 46 ASP HB3 H 1 2.588 0.002 . 2 . . . . 46 ASP HB2 . 16768 1 418 . 1 1 46 46 ASP C C 13 176.0 0.002 . 1 . . . . 46 ASP C . 16768 1 419 . 1 1 46 46 ASP CA C 13 52.75 0.002 . 1 . . . . 46 ASP CA . 16768 1 420 . 1 1 46 46 ASP CB C 13 40.74 0.002 . 1 . . . . 46 ASP CB . 16768 1 421 . 1 1 46 46 ASP N N 15 126.5 0.002 . 1 . . . . 46 ASP N . 16768 1 422 . 1 1 47 47 LEU H H 1 8.102 0.002 . 1 . . . . 47 LEU H . 16768 1 423 . 1 1 47 47 LEU HA H 1 3.982 0.002 . 1 . . . . 47 LEU HA . 16768 1 424 . 1 1 47 47 LEU HB2 H 1 1.443 0.002 . 1 . . . . 47 LEU HB1 . 16768 1 425 . 1 1 47 47 LEU HB3 H 1 1.586 0.002 . 2 . . . . 47 LEU HB2 . 16768 1 426 . 1 1 47 47 LEU HD11 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 427 . 1 1 47 47 LEU HD12 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 428 . 1 1 47 47 LEU HD13 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 429 . 1 1 47 47 LEU HD21 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 430 . 1 1 47 47 LEU HD22 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 431 . 1 1 47 47 LEU HD23 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 432 . 1 1 47 47 LEU HG H 1 1.579 0.002 . 1 . . . . 47 LEU HG . 16768 1 433 . 1 1 47 47 LEU C C 13 178.4 0.002 . 1 . . . . 47 LEU C . 16768 1 434 . 1 1 47 47 LEU CA C 13 57.93 0.002 . 1 . . . . 47 LEU CA . 16768 1 435 . 1 1 47 47 LEU CB C 13 41.61 0.002 . 1 . . . . 47 LEU CB . 16768 1 436 . 1 1 47 47 LEU CD1 C 13 25.14 0.002 . 2 . . . . 47 LEU CD1 . 16768 1 437 . 1 1 47 47 LEU CD2 C 13 23.05 0.002 . 2 . . . . 47 LEU CD2 . 16768 1 438 . 1 1 47 47 LEU CG C 13 27.04 0.002 . 1 . . . . 47 LEU CG . 16768 1 439 . 1 1 47 47 LEU N N 15 130.0 0.002 . 1 . . . . 47 LEU N . 16768 1 440 . 1 1 48 48 LYS H H 1 8.038 0.002 . 1 . . . . 48 LYS H . 16768 1 441 . 1 1 48 48 LYS HA H 1 3.891 0.002 . 1 . . . . 48 LYS HA . 16768 1 442 . 1 1 48 48 LYS HB2 H 1 1.465 0.002 . 1 . . . . 48 LYS HB1 . 16768 1 443 . 1 1 48 48 LYS HB3 H 1 1.636 0.002 . 2 . . . . 48 LYS HB2 . 16768 1 444 . 1 1 48 48 LYS HD2 H 1 1.209 0.002 . 2 . . . . 48 LYS HD2 . 16768 1 445 . 1 1 48 48 LYS HE2 H 1 2.496 0.002 . 1 . . . . 48 LYS HE1 . 16768 1 446 . 1 1 48 48 LYS HE3 H 1 2.541 0.002 . 2 . . . . 48 LYS HE2 . 16768 1 447 . 1 1 48 48 LYS HG2 H 1 1.197 0.002 . 2 . . . . 48 LYS HG2 . 16768 1 448 . 1 1 48 48 LYS C C 13 177.8 0.002 . 1 . . . . 48 LYS C . 16768 1 449 . 1 1 48 48 LYS CA C 13 57.91 0.002 . 1 . . . . 48 LYS CA . 16768 1 450 . 1 1 48 48 LYS CB C 13 31.68 0.002 . 1 . . . . 48 LYS CB . 16768 1 451 . 1 1 48 48 LYS CD C 13 28.75 0.002 . 1 . . . . 48 LYS CD . 16768 1 452 . 1 1 48 48 LYS CG C 13 24.67 0.002 . 1 . . . . 48 LYS CG . 16768 1 453 . 1 1 48 48 LYS N N 15 121.9 0.002 . 1 . . . . 48 LYS N . 16768 1 454 . 1 1 49 49 TRP H H 1 7.393 0.002 . 1 . . . . 49 TRP H . 16768 1 455 . 1 1 49 49 TRP HA H 1 3.999 0.002 . 1 . . . . 49 TRP HA . 16768 1 456 . 1 1 49 49 TRP HB2 H 1 2.958 0.002 . 2 . . . . 49 TRP HB2 . 16768 1 457 . 1 1 49 49 TRP C C 13 177.6 0.002 . 1 . . . . 49 TRP C . 16768 1 458 . 1 1 49 49 TRP CA C 13 60.12 0.002 . 1 . . . . 49 TRP CA . 16768 1 459 . 1 1 49 49 TRP CB C 13 29.62 0.002 . 1 . . . . 49 TRP CB . 16768 1 460 . 1 1 49 49 TRP N N 15 123.5 0.002 . 1 . . . . 49 TRP N . 16768 1 461 . 1 1 50 50 TRP H H 1 7.359 0.002 . 1 . . . . 50 TRP H . 16768 1 462 . 1 1 50 50 TRP HA H 1 3.925 0.002 . 1 . . . . 50 TRP HA . 16768 1 463 . 1 1 50 50 TRP HB2 H 1 2.883 0.002 . 1 . . . . 50 TRP HB1 . 16768 1 464 . 1 1 50 50 TRP HB3 H 1 3.039 0.002 . 2 . . . . 50 TRP HB2 . 16768 1 465 . 1 1 50 50 TRP C C 13 176.8 0.002 . 1 . . . . 50 TRP C . 16768 1 466 . 1 1 50 50 TRP CA C 13 59.12 0.002 . 1 . . . . 50 TRP CA . 16768 1 467 . 1 1 50 50 TRP CB C 13 29.32 0.002 . 1 . . . . 50 TRP CB . 16768 1 468 . 1 1 50 50 TRP N N 15 121.4 0.002 . 1 . . . . 50 TRP N . 16768 1 469 . 1 1 51 51 GLU H H 1 7.576 0.002 . 1 . . . . 51 GLU H . 16768 1 470 . 1 1 51 51 GLU HA H 1 4.017 0.002 . 1 . . . . 51 GLU HA . 16768 1 471 . 1 1 51 51 GLU HB2 H 1 1.846 0.002 . 2 . . . . 51 GLU HB2 . 16768 1 472 . 1 1 51 51 GLU HG2 H 1 2.02 0.002 . 2 . . . . 51 GLU HG2 . 16768 1 473 . 1 1 51 51 GLU C C 13 176.3 0.002 . 1 . . . . 51 GLU C . 16768 1 474 . 1 1 51 51 GLU CA C 13 57.75 0.002 . 1 . . . . 51 GLU CA . 16768 1 475 . 1 1 51 51 GLU CB C 13 30.26 0.002 . 1 . . . . 51 GLU CB . 16768 1 476 . 1 1 51 51 GLU CG C 13 36.46 0.002 . 1 . . . . 51 GLU CG . 16768 1 477 . 1 1 51 51 GLU N N 15 123.2 0.002 . 1 . . . . 51 GLU N . 16768 1 478 . 1 1 52 52 LEU H H 1 7.391 0.002 . 1 . . . . 52 LEU H . 16768 1 479 . 1 1 52 52 LEU HA H 1 4.147 0.002 . 1 . . . . 52 LEU HA . 16768 1 480 . 1 1 52 52 LEU HB2 H 1 1.403 0.002 . 2 . . . . 52 LEU HB2 . 16768 1 481 . 1 1 52 52 LEU HD11 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 482 . 1 1 52 52 LEU HD12 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 483 . 1 1 52 52 LEU HD13 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 484 . 1 1 52 52 LEU C C 13 176.1 0.002 . 1 . . . . 52 LEU C . 16768 1 485 . 1 1 52 52 LEU CA C 13 55.07 0.002 . 1 . . . . 52 LEU CA . 16768 1 486 . 1 1 52 52 LEU CB C 13 42.09 0.002 . 1 . . . . 52 LEU CB . 16768 1 487 . 1 1 52 52 LEU CD1 C 13 25.32 0.002 . 2 . . . . 52 LEU CD1 . 16768 1 488 . 1 1 52 52 LEU CD2 C 13 23.2 0.002 . 2 . . . . 52 LEU CD2 . 16768 1 489 . 1 1 52 52 LEU CG C 13 26.74 0.002 . 1 . . . . 52 LEU CG . 16768 1 490 . 1 1 52 52 LEU N N 15 124.2 0.002 . 1 . . . . 52 LEU N . 16768 1 491 . 1 1 53 53 ARG H H 1 7.332 0.002 . 1 . . . . 53 ARG H . 16768 1 492 . 1 1 53 53 ARG CA C 13 57.57 0.002 . 1 . . . . 53 ARG CA . 16768 1 493 . 1 1 53 53 ARG CB C 13 31.93 0.002 . 1 . . . . 53 ARG CB . 16768 1 494 . 1 1 53 53 ARG N N 15 130.0 0.002 . 1 . . . . 53 ARG N . 16768 1 stop_ save_