data_18299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18299 _Entry.Title ; Solution structure of the K60A mutant of Atox1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-28 _Entry.Accession_date 2012-02-28 _Entry.Last_release_date 2013-03-25 _Entry.Original_release_date 2013-03-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zhaoyong Xi . . . 18299 2 Chaowei Shi . . . 18299 3 Chaohua Lai . . . 18299 4 Changlin Tian . . . 18299 5 Yangzhong Liu . . . 18299 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' . 18299 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'K60A Atox1' . 18299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 18299 '15N chemical shifts' 68 18299 '1H chemical shifts' 387 18299 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-03-25 2012-02-28 original author . 18299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ9 'BMRB Entry Tracking System' 18299 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the K60A mutant of Atox1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Zhaoyong Xi . . . 18299 1 2 Chaowei Shi . . . 18299 1 3 Chaohua Lai . . . 18299 1 4 Changlin Tian . . . 18299 1 5 Yangzhong Liu . . . 18299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18299 _Assembly.ID 1 _Assembly.Name 'K60A mutant of Atox1' _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 'K60A mutant of Atox1' 1 $K60A A . yes native no no . . . 18299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K60A _Entity.Sf_category entity _Entity.Sf_framecode K60A _Entity.Entry_ID 18299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MPKHEFSVDMTCGGCAEAVS RVLNKLGGVKYDIDLPNKKV CIESEHSMDTLLATLKKTGA TVSYLGLE ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7354.592 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FE0 . "Crystal Structure Of Cadmium-Hah1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 2 no PDB 1FE4 . "Crystal Structure Of Mercury-Hah1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 3 no PDB 1FEE . "Crystal Structure Of Copper-Hah1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 4 no PDB 1TL4 . "Solution Structure Of Cu(i) Hah1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 5 no PDB 1TL5 . "Solution Structure Of Apohah1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 6 no PDB 2K1R . "The Solution Nmr Structure Of The Complex Between Mnk1 And Hah1 Mediated By Cu(I)" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 7 no PDB 2LQ9 . "Solution Structure Of The K60a Mutant Of Atox1" . . . . . 100.00 68 100.00 100.00 6.03e-41 . . . . 18299 1 8 no PDB 3CJK . "Crystal Structure Of The Adduct Hah1-Cd(Ii)-Mnk1" . . . . . 98.53 68 98.51 98.51 2.68e-39 . . . . 18299 1 9 no PDB 3IWL . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (Monomer)" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 10 no PDB 3IWX . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (Dimer)" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 11 no PDB 4QOT . "Crystal Structure Of Human Copper Chaperone Bound To The Platinum Ion" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 12 no PDB 4YDX . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (monomer) - New Refinement" . . . . . 98.53 67 98.51 98.51 2.88e-39 . . . . 18299 1 13 no PDB 4YEA . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (dimer) - New Refinement" . . . . . 98.53 67 98.51 98.51 2.88e-39 . . . . 18299 1 14 no DBJ BAF85752 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 15 no EMBL CAG33182 . "ATOX1 [Homo sapiens]" . . . . . 100.00 68 97.06 98.53 1.47e-39 . . . . 18299 1 16 no GB AAC51227 . "copper transport protein HAH1 [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 17 no GB AAI12249 . "Antioxidant protein 1 [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 18 no GB AAI12251 . "Antioxidant protein 1 [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 19 no GB AAN84554 . "ATX1-like protein [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 20 no GB AAP88788 . "ATX1 antioxidant protein 1 homolog (yeast) [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 21 no REF NP_004036 . "copper transport protein ATOX1 [Homo sapiens]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 22 no REF XP_001169183 . "PREDICTED: copper transport protein ATOX1 [Pan troglodytes]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 23 no REF XP_002816151 . "PREDICTED: copper transport protein ATOX1 [Pongo abelii]" . . . . . 100.00 68 97.06 98.53 1.68e-39 . . . . 18299 1 24 no REF XP_003829035 . "PREDICTED: copper transport protein ATOX1 [Pan paniscus]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 25 no REF XP_004042903 . "PREDICTED: copper transport protein ATOX1 [Gorilla gorilla gorilla]" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 26 no SP O00244 . "RecName: Full=Copper transport protein ATOX1; AltName: Full=Metal transport protein ATX1" . . . . . 100.00 68 98.53 98.53 4.00e-40 . . . . 18299 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18299 1 2 . PRO . 18299 1 3 . LYS . 18299 1 4 . HIS . 18299 1 5 . GLU . 18299 1 6 . PHE . 18299 1 7 . SER . 18299 1 8 . VAL . 18299 1 9 . ASP . 18299 1 10 . MET . 18299 1 11 . THR . 18299 1 12 . CYS . 18299 1 13 . GLY . 18299 1 14 . GLY . 18299 1 15 . CYS . 18299 1 16 . ALA . 18299 1 17 . GLU . 18299 1 18 . ALA . 18299 1 19 . VAL . 18299 1 20 . SER . 18299 1 21 . ARG . 18299 1 22 . VAL . 18299 1 23 . LEU . 18299 1 24 . ASN . 18299 1 25 . LYS . 18299 1 26 . LEU . 18299 1 27 . GLY . 18299 1 28 . GLY . 18299 1 29 . VAL . 18299 1 30 . LYS . 18299 1 31 . TYR . 18299 1 32 . ASP . 18299 1 33 . ILE . 18299 1 34 . ASP . 18299 1 35 . LEU . 18299 1 36 . PRO . 18299 1 37 . ASN . 18299 1 38 . LYS . 18299 1 39 . LYS . 18299 1 40 . VAL . 18299 1 41 . CYS . 18299 1 42 . ILE . 18299 1 43 . GLU . 18299 1 44 . SER . 18299 1 45 . GLU . 18299 1 46 . HIS . 18299 1 47 . SER . 18299 1 48 . MET . 18299 1 49 . ASP . 18299 1 50 . THR . 18299 1 51 . LEU . 18299 1 52 . LEU . 18299 1 53 . ALA . 18299 1 54 . THR . 18299 1 55 . LEU . 18299 1 56 . LYS . 18299 1 57 . LYS . 18299 1 58 . THR . 18299 1 59 . GLY . 18299 1 60 . ALA . 18299 1 61 . THR . 18299 1 62 . VAL . 18299 1 63 . SER . 18299 1 64 . TYR . 18299 1 65 . LEU . 18299 1 66 . GLY . 18299 1 67 . LEU . 18299 1 68 . GLU . 18299 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18299 1 . PRO 2 2 18299 1 . LYS 3 3 18299 1 . HIS 4 4 18299 1 . GLU 5 5 18299 1 . PHE 6 6 18299 1 . SER 7 7 18299 1 . VAL 8 8 18299 1 . ASP 9 9 18299 1 . MET 10 10 18299 1 . THR 11 11 18299 1 . CYS 12 12 18299 1 . GLY 13 13 18299 1 . GLY 14 14 18299 1 . CYS 15 15 18299 1 . ALA 16 16 18299 1 . GLU 17 17 18299 1 . ALA 18 18 18299 1 . VAL 19 19 18299 1 . SER 20 20 18299 1 . ARG 21 21 18299 1 . VAL 22 22 18299 1 . LEU 23 23 18299 1 . ASN 24 24 18299 1 . LYS 25 25 18299 1 . LEU 26 26 18299 1 . GLY 27 27 18299 1 . GLY 28 28 18299 1 . VAL 29 29 18299 1 . LYS 30 30 18299 1 . TYR 31 31 18299 1 . ASP 32 32 18299 1 . ILE 33 33 18299 1 . ASP 34 34 18299 1 . LEU 35 35 18299 1 . PRO 36 36 18299 1 . ASN 37 37 18299 1 . LYS 38 38 18299 1 . LYS 39 39 18299 1 . VAL 40 40 18299 1 . CYS 41 41 18299 1 . ILE 42 42 18299 1 . GLU 43 43 18299 1 . SER 44 44 18299 1 . GLU 45 45 18299 1 . HIS 46 46 18299 1 . SER 47 47 18299 1 . MET 48 48 18299 1 . ASP 49 49 18299 1 . THR 50 50 18299 1 . LEU 51 51 18299 1 . LEU 52 52 18299 1 . ALA 53 53 18299 1 . THR 54 54 18299 1 . LEU 55 55 18299 1 . LYS 56 56 18299 1 . LYS 57 57 18299 1 . THR 58 58 18299 1 . GLY 59 59 18299 1 . ALA 60 60 18299 1 . THR 61 61 18299 1 . VAL 62 62 18299 1 . SER 63 63 18299 1 . TYR 64 64 18299 1 . LEU 65 65 18299 1 . GLY 66 66 18299 1 . LEU 67 67 18299 1 . GLU 68 68 18299 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 18299 _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 $K60A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18299 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 18299 _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 $K60A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pST-SG1 . . . . . . 18299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18299 _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 K60A '[U-100% 13C; U-100% 15N]' . . 1 $K60A . . . 0.4 0.5 mM . . . . 18299 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18299 1 3 DTT 'natural abundance' . . . . . . . 2 2.5 mM . . . . 18299 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18299 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18299 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18299 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K60A '[U-100% 15N]' . . 1 $K60A . . . 0.4 0.5 mM . . . . 18299 2 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18299 2 3 DTT 'natural abundance' . . . . . . . 2 2.5 mM . . . . 18299 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18299 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18299 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18299 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 K60A '[U-100% 13C; U-100% 15N]' . . 1 $K60A . . . 0.4 0.5 mM . . . . 18299 3 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18299 3 3 DTT 'natural abundance' . . . . . . . 2 2.5 mM . . . . 18299 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18299 3 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 18299 _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' 0.215 . M 18299 1 pH 7 . pH 18299 1 pressure 1 . atm 18299 1 temperature 298 . K 18299 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18299 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18299 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18299 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18299 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18299 2 'peak picking' 18299 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18299 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18299 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18299 3 'peak picking' 18299 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18299 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18299 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18299 4 'structure solution' 18299 4 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 18299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18299 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18299 _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 Bruker Avance . 500 . . . 18299 1 2 spectrometer_2 Bruker Avance . 600 . . . 18299 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 18299 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 1 11 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18299 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 18299 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18299 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18299 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18299 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18299 1 3 '3D CBCA(CO)NH' . . . 18299 1 4 '3D C(CO)NH' . . . 18299 1 5 '3D HNCO' . . . 18299 1 6 '3D HNCACB' . . . 18299 1 7 '3D HBHA(CO)NH' . . . 18299 1 8 '3D H(CCO)NH' . . . 18299 1 9 '3D 1H-15N NOESY' . . . 18299 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 MET H H 1 8.429 . . 1 . . . . 1 MET HN . 18299 1 2 . 1 1 1 1 MET CA C 13 53.697 . . 1 . . . . 1 MET CA . 18299 1 3 . 1 1 1 1 MET CB C 13 33.203 . . 1 . . . . 1 MET CB . 18299 1 4 . 1 1 1 1 MET N N 15 121.829 . . 1 . . . . 1 MET N . 18299 1 5 . 1 1 2 2 PRO HA H 1 4.253 . . 1 . . . . 2 PRO HA . 18299 1 6 . 1 1 2 2 PRO HB2 H 1 2.140 . . 2 . . . . 2 PRO HB2 . 18299 1 7 . 1 1 2 2 PRO HB3 H 1 1.789 . . 2 . . . . 2 PRO HB3 . 18299 1 8 . 1 1 2 2 PRO HG2 H 1 1.995 . . 2 . . . . 2 PRO HG2 . 18299 1 9 . 1 1 2 2 PRO HD2 H 1 3.889 . . 2 . . . . 2 PRO HD2 . 18299 1 10 . 1 1 2 2 PRO HD3 H 1 3.683 . . 2 . . . . 2 PRO HD3 . 18299 1 11 . 1 1 2 2 PRO C C 13 174.299 . . 1 . . . . 2 PRO C . 18299 1 12 . 1 1 2 2 PRO CA C 13 63.335 . . 1 . . . . 2 PRO CA . 18299 1 13 . 1 1 2 2 PRO CB C 13 32.633 . . 1 . . . . 2 PRO CB . 18299 1 14 . 1 1 2 2 PRO CG C 13 27.705 . . 1 . . . . 2 PRO CG . 18299 1 15 . 1 1 2 2 PRO CD C 13 50.663 . . 1 . . . . 2 PRO CD . 18299 1 16 . 1 1 3 3 LYS H H 1 8.038 . . 1 . . . . 3 LYS HN . 18299 1 17 . 1 1 3 3 LYS HA H 1 4.934 . . 1 . . . . 3 LYS HA . 18299 1 18 . 1 1 3 3 LYS HB2 H 1 1.665 . . 2 . . . . 3 LYS HB2 . 18299 1 19 . 1 1 3 3 LYS HG2 H 1 1.182 . . 2 . . . . 3 LYS HG2 . 18299 1 20 . 1 1 3 3 LYS HD2 H 1 1.409 . . 2 . . . . 3 LYS HD2 . 18299 1 21 . 1 1 3 3 LYS HE2 H 1 2.931 . . 2 . . . . 3 LYS HE2 . 18299 1 22 . 1 1 3 3 LYS C C 13 175.055 . . 1 . . . . 3 LYS C . 18299 1 23 . 1 1 3 3 LYS CA C 13 54.894 . . 1 . . . . 3 LYS CA . 18299 1 24 . 1 1 3 3 LYS CB C 13 34.382 . . 1 . . . . 3 LYS CB . 18299 1 25 . 1 1 3 3 LYS CG C 13 25.194 . . 1 . . . . 3 LYS CG . 18299 1 26 . 1 1 3 3 LYS CD C 13 29.319 . . 1 . . . . 3 LYS CD . 18299 1 27 . 1 1 3 3 LYS N N 15 121.020 . . 1 . . . . 3 LYS N . 18299 1 28 . 1 1 4 4 HIS H H 1 8.908 . . 1 . . . . 4 HIS HN . 18299 1 29 . 1 1 4 4 HIS HA H 1 4.959 . . 1 . . . . 4 HIS HA . 18299 1 30 . 1 1 4 4 HIS HB2 H 1 3.115 . . 2 . . . . 4 HIS HB2 . 18299 1 31 . 1 1 4 4 HIS HD1 H 1 6.729 . . 1 . . . . 4 HIS HD1 . 18299 1 32 . 1 1 4 4 HIS HD2 H 1 7.105 . . 1 . . . . 4 HIS HD2 . 18299 1 33 . 1 1 4 4 HIS C C 13 174.771 . . 1 . . . . 4 HIS C . 18299 1 34 . 1 1 4 4 HIS CA C 13 56.042 . . 1 . . . . 4 HIS CA . 18299 1 35 . 1 1 4 4 HIS CB C 13 35.244 . . 1 . . . . 4 HIS CB . 18299 1 36 . 1 1 4 4 HIS N N 15 122.815 . . 1 . . . . 4 HIS N . 18299 1 37 . 1 1 5 5 GLU H H 1 8.951 . . 1 . . . . 5 GLU HN . 18299 1 38 . 1 1 5 5 GLU HA H 1 5.293 . . 1 . . . . 5 GLU HA . 18299 1 39 . 1 1 5 5 GLU HB2 H 1 1.897 . . 2 . . . . 5 GLU HB2 . 18299 1 40 . 1 1 5 5 GLU HB3 H 1 1.817 . . 2 . . . . 5 GLU HB3 . 18299 1 41 . 1 1 5 5 GLU HG2 H 1 2.300 . . 2 . . . . 5 GLU HG2 . 18299 1 42 . 1 1 5 5 GLU HG3 H 1 2.116 . . 2 . . . . 5 GLU HG3 . 18299 1 43 . 1 1 5 5 GLU C C 13 174.389 . . 1 . . . . 5 GLU C . 18299 1 44 . 1 1 5 5 GLU CA C 13 55.848 . . 1 . . . . 5 GLU CA . 18299 1 45 . 1 1 5 5 GLU CB C 13 32.742 . . 1 . . . . 5 GLU CB . 18299 1 46 . 1 1 5 5 GLU CG C 13 36.583 . . 1 . . . . 5 GLU CG . 18299 1 47 . 1 1 5 5 GLU N N 15 122.404 . . 1 . . . . 5 GLU N . 18299 1 48 . 1 1 6 6 PHE H H 1 9.075 . . 1 . . . . 6 PHE HN . 18299 1 49 . 1 1 6 6 PHE HA H 1 5.185 . . 1 . . . . 6 PHE HA . 18299 1 50 . 1 1 6 6 PHE HB2 H 1 2.882 . . 2 . . . . 6 PHE HB2 . 18299 1 51 . 1 1 6 6 PHE HB3 H 1 2.706 . . 2 . . . . 6 PHE HB3 . 18299 1 52 . 1 1 6 6 PHE HD1 H 1 7.125 . . 3 . . . . 6 PHE HD1 . 18299 1 53 . 1 1 6 6 PHE C C 13 175.130 . . 1 . . . . 6 PHE C . 18299 1 54 . 1 1 6 6 PHE CA C 13 56.746 . . 1 . . . . 6 PHE CA . 18299 1 55 . 1 1 6 6 PHE CB C 13 42.682 . . 1 . . . . 6 PHE CB . 18299 1 56 . 1 1 6 6 PHE N N 15 119.234 . . 1 . . . . 6 PHE N . 18299 1 57 . 1 1 7 7 SER H H 1 9.346 . . 1 . . . . 7 SER HN . 18299 1 58 . 1 1 7 7 SER HA H 1 5.322 . . 1 . . . . 7 SER HA . 18299 1 59 . 1 1 7 7 SER HB2 H 1 3.936 . . 2 . . . . 7 SER HB2 . 18299 1 60 . 1 1 7 7 SER C C 13 174.651 . . 1 . . . . 7 SER C . 18299 1 61 . 1 1 7 7 SER CA C 13 56.636 . . 1 . . . . 7 SER CA . 18299 1 62 . 1 1 7 7 SER CB C 13 63.983 . . 1 . . . . 7 SER CB . 18299 1 63 . 1 1 7 7 SER N N 15 118.028 . . 1 . . . . 7 SER N . 18299 1 64 . 1 1 8 8 VAL H H 1 8.129 . . 1 . . . . 8 VAL HN . 18299 1 65 . 1 1 8 8 VAL HA H 1 4.683 . . 1 . . . . 8 VAL HA . 18299 1 66 . 1 1 8 8 VAL HB H 1 1.764 . . 1 . . . . 8 VAL HB . 18299 1 67 . 1 1 8 8 VAL HG11 H 1 0.645 . . 2 . . . . 8 VAL HG11 . 18299 1 68 . 1 1 8 8 VAL HG12 H 1 0.645 . . 2 . . . . 8 VAL HG11 . 18299 1 69 . 1 1 8 8 VAL HG13 H 1 0.645 . . 2 . . . . 8 VAL HG11 . 18299 1 70 . 1 1 8 8 VAL HG21 H 1 0.863 . . 2 . . . . 8 VAL HG21 . 18299 1 71 . 1 1 8 8 VAL HG22 H 1 0.863 . . 2 . . . . 8 VAL HG21 . 18299 1 72 . 1 1 8 8 VAL HG23 H 1 0.863 . . 2 . . . . 8 VAL HG21 . 18299 1 73 . 1 1 8 8 VAL C C 13 174.360 . . 1 . . . . 8 VAL C . 18299 1 74 . 1 1 8 8 VAL CA C 13 61.020 . . 1 . . . . 8 VAL CA . 18299 1 75 . 1 1 8 8 VAL CB C 13 35.221 . . 1 . . . . 8 VAL CB . 18299 1 76 . 1 1 8 8 VAL CG2 C 13 21.110 . . 2 . . . . 8 VAL CG2 . 18299 1 77 . 1 1 8 8 VAL N N 15 125.476 . . 1 . . . . 8 VAL N . 18299 1 78 . 1 1 9 9 ASP H H 1 8.285 . . 1 . . . . 9 ASP HN . 18299 1 79 . 1 1 9 9 ASP HA H 1 4.696 . . 1 . . . . 9 ASP HA . 18299 1 80 . 1 1 9 9 ASP HB2 H 1 3.025 . . 2 . . . . 9 ASP HB2 . 18299 1 81 . 1 1 9 9 ASP HB3 H 1 2.575 . . 2 . . . . 9 ASP HB3 . 18299 1 82 . 1 1 9 9 ASP C C 13 175.278 . . 1 . . . . 9 ASP C . 18299 1 83 . 1 1 9 9 ASP CA C 13 54.011 . . 1 . . . . 9 ASP CA . 18299 1 84 . 1 1 9 9 ASP CB C 13 40.521 . . 1 . . . . 9 ASP CB . 18299 1 85 . 1 1 9 9 ASP N N 15 124.989 . . 1 . . . . 9 ASP N . 18299 1 86 . 1 1 10 10 MET H H 1 8.096 . . 1 . . . . 10 MET HN . 18299 1 87 . 1 1 10 10 MET HA H 1 4.712 . . 1 . . . . 10 MET HA . 18299 1 88 . 1 1 10 10 MET HB2 H 1 2.005 . . 2 . . . . 10 MET HB2 . 18299 1 89 . 1 1 10 10 MET HG2 H 1 2.263 . . 2 . . . . 10 MET HG2 . 18299 1 90 . 1 1 10 10 MET HG3 H 1 2.412 . . 2 . . . . 10 MET HG3 . 18299 1 91 . 1 1 10 10 MET C C 13 175.748 . . 1 . . . . 10 MET C . 18299 1 92 . 1 1 10 10 MET CA C 13 54.825 . . 1 . . . . 10 MET CA . 18299 1 93 . 1 1 10 10 MET CB C 13 34.030 . . 1 . . . . 10 MET CB . 18299 1 94 . 1 1 10 10 MET CG C 13 30.216 . . 1 . . . . 10 MET CG . 18299 1 95 . 1 1 10 10 MET N N 15 125.927 . . 1 . . . . 10 MET N . 18299 1 96 . 1 1 11 11 THR H H 1 8.886 . . 1 . . . . 11 THR HN . 18299 1 97 . 1 1 11 11 THR HA H 1 4.326 . . 1 . . . . 11 THR HA . 18299 1 98 . 1 1 11 11 THR HB H 1 4.193 . . 1 . . . . 11 THR HB . 18299 1 99 . 1 1 11 11 THR HG21 H 1 1.228 . . 1 . . . . 11 THR HG21 . 18299 1 100 . 1 1 11 11 THR HG22 H 1 1.228 . . 1 . . . . 11 THR HG21 . 18299 1 101 . 1 1 11 11 THR HG23 H 1 1.228 . . 1 . . . . 11 THR HG21 . 18299 1 102 . 1 1 11 11 THR C C 13 174.832 . . 1 . . . . 11 THR C . 18299 1 103 . 1 1 11 11 THR CA C 13 63.908 . . 1 . . . . 11 THR CA . 18299 1 104 . 1 1 11 11 THR CB C 13 69.529 . . 1 . . . . 11 THR CB . 18299 1 105 . 1 1 11 11 THR CG2 C 13 21.517 . . 1 . . . . 11 THR CG2 . 18299 1 106 . 1 1 11 11 THR N N 15 116.339 . . 1 . . . . 11 THR N . 18299 1 107 . 1 1 12 12 CYS H H 1 8.183 . . 1 . . . . 12 CYS HN . 18299 1 108 . 1 1 12 12 CYS HA H 1 4.795 . . 1 . . . . 12 CYS HA . 18299 1 109 . 1 1 12 12 CYS HB2 H 1 3.204 . . 2 . . . . 12 CYS HB2 . 18299 1 110 . 1 1 12 12 CYS HB3 H 1 3.048 . . 2 . . . . 12 CYS HB3 . 18299 1 111 . 1 1 12 12 CYS C C 13 174.892 . . 1 . . . . 12 CYS C . 18299 1 112 . 1 1 12 12 CYS CA C 13 57.615 . . 1 . . . . 12 CYS CA . 18299 1 113 . 1 1 12 12 CYS CB C 13 29.481 . . 1 . . . . 12 CYS CB . 18299 1 114 . 1 1 12 12 CYS N N 15 117.534 . . 1 . . . . 12 CYS N . 18299 1 115 . 1 1 13 13 GLY H H 1 8.737 . . 1 . . . . 13 GLY HN . 18299 1 116 . 1 1 13 13 GLY HA2 H 1 4.040 . . 2 . . . . 13 GLY HA2 . 18299 1 117 . 1 1 13 13 GLY HA3 H 1 3.915 . . 2 . . . . 13 GLY HA3 . 18299 1 118 . 1 1 13 13 GLY C C 13 175.328 . . 1 . . . . 13 GLY C . 18299 1 119 . 1 1 13 13 GLY CA C 13 46.581 . . 1 . . . . 13 GLY CA . 18299 1 120 . 1 1 13 13 GLY N N 15 110.516 . . 1 . . . . 13 GLY N . 18299 1 121 . 1 1 14 14 GLY H H 1 8.677 . . 1 . . . . 14 GLY HN . 18299 1 122 . 1 1 14 14 GLY HA2 H 1 4.056 . . 2 . . . . 14 GLY HA2 . 18299 1 123 . 1 1 14 14 GLY C C 13 175.741 . . 1 . . . . 14 GLY C . 18299 1 124 . 1 1 14 14 GLY CA C 13 46.006 . . 1 . . . . 14 GLY CA . 18299 1 125 . 1 1 14 14 GLY N N 15 110.521 . . 1 . . . . 14 GLY N . 18299 1 126 . 1 1 15 15 CYS H H 1 7.853 . . 1 . . . . 15 CYS HN . 18299 1 127 . 1 1 15 15 CYS HA H 1 4.363 . . 1 . . . . 15 CYS HA . 18299 1 128 . 1 1 15 15 CYS HB2 H 1 3.220 . . 2 . . . . 15 CYS HB2 . 18299 1 129 . 1 1 15 15 CYS HB3 H 1 2.998 . . 2 . . . . 15 CYS HB3 . 18299 1 130 . 1 1 15 15 CYS C C 13 176.557 . . 1 . . . . 15 CYS C . 18299 1 131 . 1 1 15 15 CYS CA C 13 61.356 . . 1 . . . . 15 CYS CA . 18299 1 132 . 1 1 15 15 CYS CB C 13 28.522 . . 1 . . . . 15 CYS CB . 18299 1 133 . 1 1 15 15 CYS N N 15 121.304 . . 1 . . . . 15 CYS N . 18299 1 134 . 1 1 16 16 ALA H H 1 8.196 . . 1 . . . . 16 ALA HN . 18299 1 135 . 1 1 16 16 ALA HA H 1 4.022 . . 1 . . . . 16 ALA HA . 18299 1 136 . 1 1 16 16 ALA HB1 H 1 1.607 . . 1 . . . . 16 ALA HB1 . 18299 1 137 . 1 1 16 16 ALA HB2 H 1 1.607 . . 1 . . . . 16 ALA HB1 . 18299 1 138 . 1 1 16 16 ALA HB3 H 1 1.607 . . 1 . . . . 16 ALA HB1 . 18299 1 139 . 1 1 16 16 ALA C C 13 180.089 . . 1 . . . . 16 ALA C . 18299 1 140 . 1 1 16 16 ALA CA C 13 55.794 . . 1 . . . . 16 ALA CA . 18299 1 141 . 1 1 16 16 ALA CB C 13 18.282 . . 1 . . . . 16 ALA CB . 18299 1 142 . 1 1 16 16 ALA N N 15 121.907 . . 1 . . . . 16 ALA N . 18299 1 143 . 1 1 17 17 GLU H H 1 8.518 . . 1 . . . . 17 GLU HN . 18299 1 144 . 1 1 17 17 GLU HA H 1 4.065 . . 1 . . . . 17 GLU HA . 18299 1 145 . 1 1 17 17 GLU HB2 H 1 2.171 . . 2 . . . . 17 GLU HB2 . 18299 1 146 . 1 1 17 17 GLU HB3 H 1 2.079 . . 2 . . . . 17 GLU HB3 . 18299 1 147 . 1 1 17 17 GLU HG2 H 1 2.375 . . 2 . . . . 17 GLU HG2 . 18299 1 148 . 1 1 17 17 GLU C C 13 178.541 . . 1 . . . . 17 GLU C . 18299 1 149 . 1 1 17 17 GLU CA C 13 59.680 . . 1 . . . . 17 GLU CA . 18299 1 150 . 1 1 17 17 GLU CB C 13 29.181 . . 1 . . . . 17 GLU CB . 18299 1 151 . 1 1 17 17 GLU CG C 13 36.045 . . 1 . . . . 17 GLU CG . 18299 1 152 . 1 1 17 17 GLU N N 15 118.976 . . 1 . . . . 17 GLU N . 18299 1 153 . 1 1 18 18 ALA H H 1 7.863 . . 1 . . . . 18 ALA HN . 18299 1 154 . 1 1 18 18 ALA HA H 1 4.089 . . 1 . . . . 18 ALA HA . 18299 1 155 . 1 1 18 18 ALA HB1 H 1 1.578 . . 1 . . . . 18 ALA HB1 . 18299 1 156 . 1 1 18 18 ALA HB2 H 1 1.578 . . 1 . . . . 18 ALA HB1 . 18299 1 157 . 1 1 18 18 ALA HB3 H 1 1.578 . . 1 . . . . 18 ALA HB1 . 18299 1 158 . 1 1 18 18 ALA C C 13 179.665 . . 1 . . . . 18 ALA C . 18299 1 159 . 1 1 18 18 ALA CA C 13 55.084 . . 1 . . . . 18 ALA CA . 18299 1 160 . 1 1 18 18 ALA CB C 13 18.145 . . 1 . . . . 18 ALA CB . 18299 1 161 . 1 1 18 18 ALA N N 15 122.909 . . 1 . . . . 18 ALA N . 18299 1 162 . 1 1 19 19 VAL H H 1 7.989 . . 1 . . . . 19 VAL HN . 18299 1 163 . 1 1 19 19 VAL HA H 1 3.297 . . 1 . . . . 19 VAL HA . 18299 1 164 . 1 1 19 19 VAL HB H 1 2.261 . . 1 . . . . 19 VAL HB . 18299 1 165 . 1 1 19 19 VAL HG11 H 1 0.603 . . 2 . . . . 19 VAL HG11 . 18299 1 166 . 1 1 19 19 VAL HG12 H 1 0.603 . . 2 . . . . 19 VAL HG11 . 18299 1 167 . 1 1 19 19 VAL HG13 H 1 0.603 . . 2 . . . . 19 VAL HG11 . 18299 1 168 . 1 1 19 19 VAL HG21 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 18299 1 169 . 1 1 19 19 VAL HG22 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 18299 1 170 . 1 1 19 19 VAL HG23 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 18299 1 171 . 1 1 19 19 VAL C C 13 176.602 . . 1 . . . . 19 VAL C . 18299 1 172 . 1 1 19 19 VAL CA C 13 66.301 . . 1 . . . . 19 VAL CA . 18299 1 173 . 1 1 19 19 VAL CB C 13 31.471 . . 1 . . . . 19 VAL CB . 18299 1 174 . 1 1 19 19 VAL CG1 C 13 21.587 . . 2 . . . . 19 VAL CG1 . 18299 1 175 . 1 1 19 19 VAL CG2 C 13 23.015 . . 2 . . . . 19 VAL CG2 . 18299 1 176 . 1 1 19 19 VAL N N 15 118.050 . . 1 . . . . 19 VAL N . 18299 1 177 . 1 1 20 20 SER H H 1 7.808 . . 1 . . . . 20 SER HN . 18299 1 178 . 1 1 20 20 SER HA H 1 4.086 . . 1 . . . . 20 SER HA . 18299 1 179 . 1 1 20 20 SER HB2 H 1 3.817 . . 2 . . . . 20 SER HB2 . 18299 1 180 . 1 1 20 20 SER C C 13 175.600 . . 1 . . . . 20 SER C . 18299 1 181 . 1 1 20 20 SER CA C 13 62.064 . . 1 . . . . 20 SER CA . 18299 1 182 . 1 1 20 20 SER CB C 13 62.443 . . 1 . . . . 20 SER CB . 18299 1 183 . 1 1 20 20 SER N N 15 113.425 . . 1 . . . . 20 SER N . 18299 1 184 . 1 1 21 21 ARG H H 1 8.086 . . 1 . . . . 21 ARG HN . 18299 1 185 . 1 1 21 21 ARG HA H 1 4.004 . . 1 . . . . 21 ARG HA . 18299 1 186 . 1 1 21 21 ARG HB2 H 1 1.945 . . 2 . . . . 21 ARG HB2 . 18299 1 187 . 1 1 21 21 ARG HG2 H 1 1.794 . . 2 . . . . 21 ARG HG2 . 18299 1 188 . 1 1 21 21 ARG HG3 H 1 1.551 . . 2 . . . . 21 ARG HG3 . 18299 1 189 . 1 1 21 21 ARG HD2 H 1 3.259 . . 2 . . . . 21 ARG HD2 . 18299 1 190 . 1 1 21 21 ARG C C 13 180.231 . . 1 . . . . 21 ARG C . 18299 1 191 . 1 1 21 21 ARG CA C 13 60.070 . . 1 . . . . 21 ARG CA . 18299 1 192 . 1 1 21 21 ARG CB C 13 30.476 . . 1 . . . . 21 ARG CB . 18299 1 193 . 1 1 21 21 ARG CG C 13 27.257 . . 1 . . . . 21 ARG CG . 18299 1 194 . 1 1 21 21 ARG CD C 13 43.220 . . 1 . . . . 21 ARG CD . 18299 1 195 . 1 1 21 21 ARG N N 15 119.858 . . 1 . . . . 21 ARG N . 18299 1 196 . 1 1 22 22 VAL H H 1 7.943 . . 1 . . . . 22 VAL HN . 18299 1 197 . 1 1 22 22 VAL HA H 1 4.022 . . 1 . . . . 22 VAL HA . 18299 1 198 . 1 1 22 22 VAL HB H 1 2.100 . . 1 . . . . 22 VAL HB . 18299 1 199 . 1 1 22 22 VAL HG21 H 1 1.000 . . 2 . . . . 22 VAL HG21 . 18299 1 200 . 1 1 22 22 VAL HG22 H 1 1.000 . . 2 . . . . 22 VAL HG21 . 18299 1 201 . 1 1 22 22 VAL HG23 H 1 1.000 . . 2 . . . . 22 VAL HG21 . 18299 1 202 . 1 1 22 22 VAL C C 13 179.211 . . 1 . . . . 22 VAL C . 18299 1 203 . 1 1 22 22 VAL CA C 13 64.946 . . 1 . . . . 22 VAL CA . 18299 1 204 . 1 1 22 22 VAL CB C 13 30.663 . . 1 . . . . 22 VAL CB . 18299 1 205 . 1 1 22 22 VAL CG1 C 13 19.311 . . 2 . . . . 22 VAL CG1 . 18299 1 206 . 1 1 22 22 VAL CG2 C 13 21.487 . . 2 . . . . 22 VAL CG2 . 18299 1 207 . 1 1 22 22 VAL N N 15 112.224 . . 1 . . . . 22 VAL N . 18299 1 208 . 1 1 23 23 LEU H H 1 7.692 . . 1 . . . . 23 LEU HN . 18299 1 209 . 1 1 23 23 LEU HA H 1 3.986 . . 1 . . . . 23 LEU HA . 18299 1 210 . 1 1 23 23 LEU HB2 H 1 1.349 . . 2 . . . . 23 LEU HB2 . 18299 1 211 . 1 1 23 23 LEU HB3 H 1 0.907 . . 2 . . . . 23 LEU HB3 . 18299 1 212 . 1 1 23 23 LEU HD11 H 1 0.523 . . 2 . . . . 23 LEU HD11 . 18299 1 213 . 1 1 23 23 LEU HD12 H 1 0.523 . . 2 . . . . 23 LEU HD11 . 18299 1 214 . 1 1 23 23 LEU HD13 H 1 0.523 . . 2 . . . . 23 LEU HD11 . 18299 1 215 . 1 1 23 23 LEU HD21 H 1 -0.003 . . 2 . . . . 23 LEU HD21 . 18299 1 216 . 1 1 23 23 LEU HD22 H 1 -0.003 . . 2 . . . . 23 LEU HD21 . 18299 1 217 . 1 1 23 23 LEU HD23 H 1 -0.003 . . 2 . . . . 23 LEU HD21 . 18299 1 218 . 1 1 23 23 LEU C C 13 178.347 . . 1 . . . . 23 LEU C . 18299 1 219 . 1 1 23 23 LEU CA C 13 57.249 . . 1 . . . . 23 LEU CA . 18299 1 220 . 1 1 23 23 LEU CB C 13 40.850 . . 1 . . . . 23 LEU CB . 18299 1 221 . 1 1 23 23 LEU CG C 13 25.373 . . 1 . . . . 23 LEU CG . 18299 1 222 . 1 1 23 23 LEU CD1 C 13 21.428 . . 2 . . . . 23 LEU CD1 . 18299 1 223 . 1 1 23 23 LEU N N 15 122.146 . . 1 . . . . 23 LEU N . 18299 1 224 . 1 1 24 24 ASN H H 1 8.683 . . 1 . . . . 24 ASN HN . 18299 1 225 . 1 1 24 24 ASN HA H 1 4.529 . . 1 . . . . 24 ASN HA . 18299 1 226 . 1 1 24 24 ASN HB2 H 1 3.029 . . 2 . . . . 24 ASN HB2 . 18299 1 227 . 1 1 24 24 ASN HB3 H 1 2.889 . . 2 . . . . 24 ASN HB3 . 18299 1 228 . 1 1 24 24 ASN HD21 H 1 7.726 . . 2 . . . . 24 ASN HD21 . 18299 1 229 . 1 1 24 24 ASN HD22 H 1 7.204 . . 2 . . . . 24 ASN HD22 . 18299 1 230 . 1 1 24 24 ASN C C 13 178.060 . . 1 . . . . 24 ASN C . 18299 1 231 . 1 1 24 24 ASN CA C 13 55.606 . . 1 . . . . 24 ASN CA . 18299 1 232 . 1 1 24 24 ASN CB C 13 37.192 . . 1 . . . . 24 ASN CB . 18299 1 233 . 1 1 24 24 ASN N N 15 118.578 . . 1 . . . . 24 ASN N . 18299 1 234 . 1 1 24 24 ASN ND2 N 15 112.574 . . 1 . . . . 24 ASN ND2 . 18299 1 235 . 1 1 25 25 LYS H H 1 7.469 . . 1 . . . . 25 LYS HN . 18299 1 236 . 1 1 25 25 LYS HA H 1 4.064 . . 1 . . . . 25 LYS HA . 18299 1 237 . 1 1 25 25 LYS HB2 H 1 1.869 . . 2 . . . . 25 LYS HB2 . 18299 1 238 . 1 1 25 25 LYS HG2 H 1 1.517 . . 2 . . . . 25 LYS HG2 . 18299 1 239 . 1 1 25 25 LYS HD2 H 1 1.664 . . 2 . . . . 25 LYS HD2 . 18299 1 240 . 1 1 25 25 LYS HE2 H 1 2.990 . . 2 . . . . 25 LYS HE2 . 18299 1 241 . 1 1 25 25 LYS C C 13 177.770 . . 1 . . . . 25 LYS C . 18299 1 242 . 1 1 25 25 LYS CA C 13 58.245 . . 1 . . . . 25 LYS CA . 18299 1 243 . 1 1 25 25 LYS CB C 13 32.186 . . 1 . . . . 25 LYS CB . 18299 1 244 . 1 1 25 25 LYS CG C 13 24.656 . . 1 . . . . 25 LYS CG . 18299 1 245 . 1 1 25 25 LYS CD C 13 28.871 . . 1 . . . . 25 LYS CD . 18299 1 246 . 1 1 25 25 LYS CE C 13 41.605 . . 1 . . . . 25 LYS CE . 18299 1 247 . 1 1 25 25 LYS N N 15 118.395 . . 1 . . . . 25 LYS N . 18299 1 248 . 1 1 26 26 LEU H H 1 7.209 . . 1 . . . . 26 LEU HN . 18299 1 249 . 1 1 26 26 LEU HA H 1 4.091 . . 1 . . . . 26 LEU HA . 18299 1 250 . 1 1 26 26 LEU HB2 H 1 1.897 . . 2 . . . . 26 LEU HB2 . 18299 1 251 . 1 1 26 26 LEU HB3 H 1 1.509 . . 2 . . . . 26 LEU HB3 . 18299 1 252 . 1 1 26 26 LEU HG H 1 1.736 . . 1 . . . . 26 LEU HG . 18299 1 253 . 1 1 26 26 LEU HD11 H 1 0.465 . . 2 . . . . 26 LEU HD11 . 18299 1 254 . 1 1 26 26 LEU HD12 H 1 0.465 . . 2 . . . . 26 LEU HD11 . 18299 1 255 . 1 1 26 26 LEU HD13 H 1 0.465 . . 2 . . . . 26 LEU HD11 . 18299 1 256 . 1 1 26 26 LEU C C 13 178.609 . . 1 . . . . 26 LEU C . 18299 1 257 . 1 1 26 26 LEU CA C 13 57.742 . . 1 . . . . 26 LEU CA . 18299 1 258 . 1 1 26 26 LEU CB C 13 42.191 . . 1 . . . . 26 LEU CB . 18299 1 259 . 1 1 26 26 LEU CD1 C 13 25.559 . . 2 . . . . 26 LEU CD1 . 18299 1 260 . 1 1 26 26 LEU CD2 C 13 22.139 . . 2 . . . . 26 LEU CD2 . 18299 1 261 . 1 1 26 26 LEU N N 15 121.105 . . 1 . . . . 26 LEU N . 18299 1 262 . 1 1 27 27 GLY H H 1 7.691 . . 1 . . . . 27 GLY HN . 18299 1 263 . 1 1 27 27 GLY HA2 H 1 4.367 . . 2 . . . . 27 GLY HA2 . 18299 1 264 . 1 1 27 27 GLY HA3 H 1 3.991 . . 2 . . . . 27 GLY HA3 . 18299 1 265 . 1 1 27 27 GLY C C 13 173.508 . . 1 . . . . 27 GLY C . 18299 1 266 . 1 1 27 27 GLY CA C 13 44.233 . . 1 . . . . 27 GLY CA . 18299 1 267 . 1 1 27 27 GLY N N 15 104.036 . . 1 . . . . 27 GLY N . 18299 1 268 . 1 1 28 28 GLY H H 1 8.603 . . 1 . . . . 28 GLY HN . 18299 1 269 . 1 1 28 28 GLY HA2 H 1 3.974 . . 2 . . . . 28 GLY HA2 . 18299 1 270 . 1 1 28 28 GLY C C 13 175.737 . . 1 . . . . 28 GLY C . 18299 1 271 . 1 1 28 28 GLY CA C 13 47.618 . . 1 . . . . 28 GLY CA . 18299 1 272 . 1 1 28 28 GLY N N 15 106.538 . . 1 . . . . 28 GLY N . 18299 1 273 . 1 1 29 29 VAL H H 1 7.974 . . 1 . . . . 29 VAL HN . 18299 1 274 . 1 1 29 29 VAL HA H 1 4.949 . . 1 . . . . 29 VAL HA . 18299 1 275 . 1 1 29 29 VAL HB H 1 2.078 . . 1 . . . . 29 VAL HB . 18299 1 276 . 1 1 29 29 VAL HG11 H 1 0.982 . . 2 . . . . 29 VAL HG11 . 18299 1 277 . 1 1 29 29 VAL HG12 H 1 0.982 . . 2 . . . . 29 VAL HG11 . 18299 1 278 . 1 1 29 29 VAL HG13 H 1 0.982 . . 2 . . . . 29 VAL HG11 . 18299 1 279 . 1 1 29 29 VAL HG21 H 1 1.097 . . 2 . . . . 29 VAL HG21 . 18299 1 280 . 1 1 29 29 VAL HG22 H 1 1.097 . . 2 . . . . 29 VAL HG21 . 18299 1 281 . 1 1 29 29 VAL HG23 H 1 1.097 . . 2 . . . . 29 VAL HG21 . 18299 1 282 . 1 1 29 29 VAL C C 13 174.487 . . 1 . . . . 29 VAL C . 18299 1 283 . 1 1 29 29 VAL CA C 13 59.738 . . 1 . . . . 29 VAL CA . 18299 1 284 . 1 1 29 29 VAL CB C 13 36.514 . . 1 . . . . 29 VAL CB . 18299 1 285 . 1 1 29 29 VAL CG1 C 13 19.903 . . 2 . . . . 29 VAL CG1 . 18299 1 286 . 1 1 29 29 VAL CG2 C 13 23.221 . . 2 . . . . 29 VAL CG2 . 18299 1 287 . 1 1 29 29 VAL N N 15 112.116 . . 1 . . . . 29 VAL N . 18299 1 288 . 1 1 30 30 LYS H H 1 8.370 . . 1 . . . . 30 LYS HN . 18299 1 289 . 1 1 30 30 LYS HA H 1 4.648 . . 1 . . . . 30 LYS HA . 18299 1 290 . 1 1 30 30 LYS HB2 H 1 1.897 . . 2 . . . . 30 LYS HB2 . 18299 1 291 . 1 1 30 30 LYS HB3 H 1 1.841 . . 2 . . . . 30 LYS HB3 . 18299 1 292 . 1 1 30 30 LYS HG2 H 1 1.470 . . 2 . . . . 30 LYS HG2 . 18299 1 293 . 1 1 30 30 LYS HG3 H 1 1.390 . . 2 . . . . 30 LYS HG3 . 18299 1 294 . 1 1 30 30 LYS HD2 H 1 1.666 . . 2 . . . . 30 LYS HD2 . 18299 1 295 . 1 1 30 30 LYS HE2 H 1 2.922 . . 2 . . . . 30 LYS HE2 . 18299 1 296 . 1 1 30 30 LYS C C 13 174.964 . . 1 . . . . 30 LYS C . 18299 1 297 . 1 1 30 30 LYS CA C 13 56.003 . . 1 . . . . 30 LYS CA . 18299 1 298 . 1 1 30 30 LYS CB C 13 34.639 . . 1 . . . . 30 LYS CB . 18299 1 299 . 1 1 30 30 LYS CG C 13 24.657 . . 1 . . . . 30 LYS CG . 18299 1 300 . 1 1 30 30 LYS CD C 13 29.230 . . 1 . . . . 30 LYS CD . 18299 1 301 . 1 1 30 30 LYS CE C 13 42.413 . . 1 . . . . 30 LYS CE . 18299 1 302 . 1 1 30 30 LYS N N 15 124.568 . . 1 . . . . 30 LYS N . 18299 1 303 . 1 1 31 31 TYR H H 1 8.531 . . 1 . . . . 31 TYR HN . 18299 1 304 . 1 1 31 31 TYR HA H 1 5.984 . . 1 . . . . 31 TYR HA . 18299 1 305 . 1 1 31 31 TYR HB2 H 1 2.725 . . 2 . . . . 31 TYR HB2 . 18299 1 306 . 1 1 31 31 TYR HD1 H 1 6.633 . . 3 . . . . 31 TYR HD1 . 18299 1 307 . 1 1 31 31 TYR C C 13 172.758 . . 1 . . . . 31 TYR C . 18299 1 308 . 1 1 31 31 TYR CA C 13 55.124 . . 1 . . . . 31 TYR CA . 18299 1 309 . 1 1 31 31 TYR CB C 13 42.781 . . 1 . . . . 31 TYR CB . 18299 1 310 . 1 1 31 31 TYR N N 15 121.504 . . 1 . . . . 31 TYR N . 18299 1 311 . 1 1 32 32 ASP H H 1 8.750 . . 1 . . . . 32 ASP HN . 18299 1 312 . 1 1 32 32 ASP HA H 1 4.992 . . 1 . . . . 32 ASP HA . 18299 1 313 . 1 1 32 32 ASP HB2 H 1 2.675 . . 2 . . . . 32 ASP HB2 . 18299 1 314 . 1 1 32 32 ASP HB3 H 1 2.530 . . 2 . . . . 32 ASP HB3 . 18299 1 315 . 1 1 32 32 ASP C C 13 174.839 . . 1 . . . . 32 ASP C . 18299 1 316 . 1 1 32 32 ASP CA C 13 53.283 . . 1 . . . . 32 ASP CA . 18299 1 317 . 1 1 32 32 ASP CB C 13 44.851 . . 1 . . . . 32 ASP CB . 18299 1 318 . 1 1 32 32 ASP N N 15 119.262 . . 1 . . . . 32 ASP N . 18299 1 319 . 1 1 33 33 ILE H H 1 9.001 . . 1 . . . . 33 ILE HN . 18299 1 320 . 1 1 33 33 ILE HA H 1 4.359 . . 1 . . . . 33 ILE HA . 18299 1 321 . 1 1 33 33 ILE HB H 1 1.949 . . 1 . . . . 33 ILE HB . 18299 1 322 . 1 1 33 33 ILE HG12 H 1 1.859 . . 2 . . . . 33 ILE HG12 . 18299 1 323 . 1 1 33 33 ILE HG21 H 1 0.993 . . 1 . . . . 33 ILE HG21 . 18299 1 324 . 1 1 33 33 ILE HG22 H 1 0.993 . . 1 . . . . 33 ILE HG21 . 18299 1 325 . 1 1 33 33 ILE HG23 H 1 0.993 . . 1 . . . . 33 ILE HG21 . 18299 1 326 . 1 1 33 33 ILE HD11 H 1 0.906 . . 1 . . . . 33 ILE HD11 . 18299 1 327 . 1 1 33 33 ILE HD12 H 1 0.906 . . 1 . . . . 33 ILE HD11 . 18299 1 328 . 1 1 33 33 ILE HD13 H 1 0.906 . . 1 . . . . 33 ILE HD11 . 18299 1 329 . 1 1 33 33 ILE C C 13 173.855 . . 1 . . . . 33 ILE C . 18299 1 330 . 1 1 33 33 ILE CA C 13 61.932 . . 1 . . . . 33 ILE CA . 18299 1 331 . 1 1 33 33 ILE CB C 13 39.634 . . 1 . . . . 33 ILE CB . 18299 1 332 . 1 1 33 33 ILE CG1 C 13 28.064 . . 1 . . . . 33 ILE CG1 . 18299 1 333 . 1 1 33 33 ILE CG2 C 13 17.482 . . 1 . . . . 33 ILE CG2 . 18299 1 334 . 1 1 33 33 ILE CD1 C 13 14.432 . . 1 . . . . 33 ILE CD1 . 18299 1 335 . 1 1 33 33 ILE N N 15 124.951 . . 1 . . . . 33 ILE N . 18299 1 336 . 1 1 34 34 ASP H H 1 9.033 . . 1 . . . . 34 ASP HN . 18299 1 337 . 1 1 34 34 ASP HA H 1 4.975 . . 1 . . . . 34 ASP HA . 18299 1 338 . 1 1 34 34 ASP HB2 H 1 3.005 . . 2 . . . . 34 ASP HB2 . 18299 1 339 . 1 1 34 34 ASP HB3 H 1 2.531 . . 2 . . . . 34 ASP HB3 . 18299 1 340 . 1 1 34 34 ASP C C 13 175.761 . . 1 . . . . 34 ASP C . 18299 1 341 . 1 1 34 34 ASP CA C 13 51.809 . . 1 . . . . 34 ASP CA . 18299 1 342 . 1 1 34 34 ASP CB C 13 41.241 . . 1 . . . . 34 ASP CB . 18299 1 343 . 1 1 34 34 ASP N N 15 130.202 . . 1 . . . . 34 ASP N . 18299 1 344 . 1 1 35 35 LEU H H 1 8.888 . . 1 . . . . 35 LEU HN . 18299 1 345 . 1 1 35 35 LEU HA H 1 4.310 . . 1 . . . . 35 LEU HA . 18299 1 346 . 1 1 35 35 LEU HD11 H 1 0.909 . . 2 . . . . 35 LEU HD11 . 18299 1 347 . 1 1 35 35 LEU HD12 H 1 0.909 . . 2 . . . . 35 LEU HD11 . 18299 1 348 . 1 1 35 35 LEU HD13 H 1 0.909 . . 2 . . . . 35 LEU HD11 . 18299 1 349 . 1 1 35 35 LEU CA C 13 59.862 . . 1 . . . . 35 LEU CA . 18299 1 350 . 1 1 35 35 LEU CB C 13 39.352 . . 1 . . . . 35 LEU CB . 18299 1 351 . 1 1 35 35 LEU N N 15 123.830 . . 1 . . . . 35 LEU N . 18299 1 352 . 1 1 36 36 PRO HA H 1 4.296 . . 1 . . . . 36 PRO HA . 18299 1 353 . 1 1 36 36 PRO HB2 H 1 2.355 . . 2 . . . . 36 PRO HB2 . 18299 1 354 . 1 1 36 36 PRO HB3 H 1 1.770 . . 2 . . . . 36 PRO HB3 . 18299 1 355 . 1 1 36 36 PRO HG2 H 1 2.003 . . 2 . . . . 36 PRO HG2 . 18299 1 356 . 1 1 36 36 PRO HG3 H 1 2.192 . . 2 . . . . 36 PRO HG3 . 18299 1 357 . 1 1 36 36 PRO HD2 H 1 3.847 . . 2 . . . . 36 PRO HD2 . 18299 1 358 . 1 1 36 36 PRO C C 13 177.959 . . 1 . . . . 36 PRO C . 18299 1 359 . 1 1 36 36 PRO CA C 13 66.386 . . 1 . . . . 36 PRO CA . 18299 1 360 . 1 1 36 36 PRO CB C 13 31.493 . . 1 . . . . 36 PRO CB . 18299 1 361 . 1 1 36 36 PRO CG C 13 27.884 . . 1 . . . . 36 PRO CG . 18299 1 362 . 1 1 36 36 PRO CD C 13 49.856 . . 1 . . . . 36 PRO CD . 18299 1 363 . 1 1 37 37 ASN H H 1 7.255 . . 1 . . . . 37 ASN HN . 18299 1 364 . 1 1 37 37 ASN HA H 1 4.899 . . 1 . . . . 37 ASN HA . 18299 1 365 . 1 1 37 37 ASN HB2 H 1 2.807 . . 2 . . . . 37 ASN HB2 . 18299 1 366 . 1 1 37 37 ASN HB3 H 1 2.381 . . 2 . . . . 37 ASN HB3 . 18299 1 367 . 1 1 37 37 ASN HD21 H 1 9.185 . . 2 . . . . 37 ASN HD21 . 18299 1 368 . 1 1 37 37 ASN HD22 H 1 6.951 . . 2 . . . . 37 ASN HD22 . 18299 1 369 . 1 1 37 37 ASN C C 13 172.880 . . 1 . . . . 37 ASN C . 18299 1 370 . 1 1 37 37 ASN CA C 13 52.608 . . 1 . . . . 37 ASN CA . 18299 1 371 . 1 1 37 37 ASN CB C 13 38.545 . . 1 . . . . 37 ASN CB . 18299 1 372 . 1 1 37 37 ASN N N 15 110.308 . . 1 . . . . 37 ASN N . 18299 1 373 . 1 1 37 37 ASN ND2 N 15 119.164 . . 1 . . . . 37 ASN ND2 . 18299 1 374 . 1 1 38 38 LYS H H 1 8.328 . . 1 . . . . 38 LYS HN . 18299 1 375 . 1 1 38 38 LYS HA H 1 3.832 . . 1 . . . . 38 LYS HA . 18299 1 376 . 1 1 38 38 LYS HB2 H 1 2.269 . . 2 . . . . 38 LYS HB2 . 18299 1 377 . 1 1 38 38 LYS HB3 H 1 2.011 . . 2 . . . . 38 LYS HB3 . 18299 1 378 . 1 1 38 38 LYS HG2 H 1 1.522 . . 2 . . . . 38 LYS HG2 . 18299 1 379 . 1 1 38 38 LYS HD2 H 1 1.715 . . 2 . . . . 38 LYS HD2 . 18299 1 380 . 1 1 38 38 LYS HE2 H 1 3.040 . . 2 . . . . 38 LYS HE2 . 18299 1 381 . 1 1 38 38 LYS C C 13 175.375 . . 1 . . . . 38 LYS C . 18299 1 382 . 1 1 38 38 LYS CA C 13 58.228 . . 1 . . . . 38 LYS CA . 18299 1 383 . 1 1 38 38 LYS CB C 13 29.452 . . 1 . . . . 38 LYS CB . 18299 1 384 . 1 1 38 38 LYS CG C 13 25.553 . . 1 . . . . 38 LYS CG . 18299 1 385 . 1 1 38 38 LYS CE C 13 42.323 . . 1 . . . . 38 LYS CE . 18299 1 386 . 1 1 38 38 LYS N N 15 119.648 . . 1 . . . . 38 LYS N . 18299 1 387 . 1 1 39 39 LYS H H 1 8.203 . . 1 . . . . 39 LYS HN . 18299 1 388 . 1 1 39 39 LYS HA H 1 5.654 . . 1 . . . . 39 LYS HA . 18299 1 389 . 1 1 39 39 LYS HB2 H 1 1.777 . . 2 . . . . 39 LYS HB2 . 18299 1 390 . 1 1 39 39 LYS HG2 H 1 1.296 . . 2 . . . . 39 LYS HG2 . 18299 1 391 . 1 1 39 39 LYS HD2 H 1 1.474 . . 2 . . . . 39 LYS HD2 . 18299 1 392 . 1 1 39 39 LYS HE2 H 1 2.808 . . 2 . . . . 39 LYS HE2 . 18299 1 393 . 1 1 39 39 LYS C C 13 174.797 . . 1 . . . . 39 LYS C . 18299 1 394 . 1 1 39 39 LYS CA C 13 54.904 . . 1 . . . . 39 LYS CA . 18299 1 395 . 1 1 39 39 LYS CB C 13 37.619 . . 1 . . . . 39 LYS CB . 18299 1 396 . 1 1 39 39 LYS CG C 13 24.566 . . 1 . . . . 39 LYS CG . 18299 1 397 . 1 1 39 39 LYS CD C 13 29.499 . . 1 . . . . 39 LYS CD . 18299 1 398 . 1 1 39 39 LYS CE C 13 41.695 . . 1 . . . . 39 LYS CE . 18299 1 399 . 1 1 39 39 LYS N N 15 116.950 . . 1 . . . . 39 LYS N . 18299 1 400 . 1 1 40 40 VAL H H 1 9.115 . . 1 . . . . 40 VAL HN . 18299 1 401 . 1 1 40 40 VAL HA H 1 4.974 . . 1 . . . . 40 VAL HA . 18299 1 402 . 1 1 40 40 VAL HB H 1 1.897 . . 1 . . . . 40 VAL HB . 18299 1 403 . 1 1 40 40 VAL HG21 H 1 0.931 . . 2 . . . . 40 VAL HG21 . 18299 1 404 . 1 1 40 40 VAL HG22 H 1 0.931 . . 2 . . . . 40 VAL HG21 . 18299 1 405 . 1 1 40 40 VAL HG23 H 1 0.931 . . 2 . . . . 40 VAL HG21 . 18299 1 406 . 1 1 40 40 VAL C C 13 173.992 . . 1 . . . . 40 VAL C . 18299 1 407 . 1 1 40 40 VAL CA C 13 60.691 . . 1 . . . . 40 VAL CA . 18299 1 408 . 1 1 40 40 VAL CB C 13 35.817 . . 1 . . . . 40 VAL CB . 18299 1 409 . 1 1 40 40 VAL CG1 C 13 20.531 . . 2 . . . . 40 VAL CG1 . 18299 1 410 . 1 1 40 40 VAL CG2 C 13 22.414 . . 2 . . . . 40 VAL CG2 . 18299 1 411 . 1 1 40 40 VAL N N 15 121.279 . . 1 . . . . 40 VAL N . 18299 1 412 . 1 1 41 41 CYS H H 1 8.767 . . 1 . . . . 41 CYS HN . 18299 1 413 . 1 1 41 41 CYS HA H 1 5.635 . . 1 . . . . 41 CYS HA . 18299 1 414 . 1 1 41 41 CYS HB2 H 1 3.100 . . 2 . . . . 41 CYS HB2 . 18299 1 415 . 1 1 41 41 CYS HB3 H 1 2.973 . . 2 . . . . 41 CYS HB3 . 18299 1 416 . 1 1 41 41 CYS C C 13 174.839 . . 1 . . . . 41 CYS C . 18299 1 417 . 1 1 41 41 CYS CA C 13 56.971 . . 1 . . . . 41 CYS CA . 18299 1 418 . 1 1 41 41 CYS CB C 13 29.139 . . 1 . . . . 41 CYS CB . 18299 1 419 . 1 1 41 41 CYS N N 15 126.779 . . 1 . . . . 41 CYS N . 18299 1 420 . 1 1 42 42 ILE H H 1 9.697 . . 1 . . . . 42 ILE HN . 18299 1 421 . 1 1 42 42 ILE HA H 1 4.979 . . 1 . . . . 42 ILE HA . 18299 1 422 . 1 1 42 42 ILE HB H 1 2.038 . . 1 . . . . 42 ILE HB . 18299 1 423 . 1 1 42 42 ILE HG12 H 1 1.833 . . 2 . . . . 42 ILE HG12 . 18299 1 424 . 1 1 42 42 ILE HG13 H 1 1.115 . . 2 . . . . 42 ILE HG13 . 18299 1 425 . 1 1 42 42 ILE HG21 H 1 0.957 . . 1 . . . . 42 ILE HG21 . 18299 1 426 . 1 1 42 42 ILE HG22 H 1 0.957 . . 1 . . . . 42 ILE HG21 . 18299 1 427 . 1 1 42 42 ILE HG23 H 1 0.957 . . 1 . . . . 42 ILE HG21 . 18299 1 428 . 1 1 42 42 ILE HD11 H 1 0.841 . . 1 . . . . 42 ILE HD11 . 18299 1 429 . 1 1 42 42 ILE HD12 H 1 0.841 . . 1 . . . . 42 ILE HD11 . 18299 1 430 . 1 1 42 42 ILE HD13 H 1 0.841 . . 1 . . . . 42 ILE HD11 . 18299 1 431 . 1 1 42 42 ILE C C 13 174.113 . . 1 . . . . 42 ILE C . 18299 1 432 . 1 1 42 42 ILE CA C 13 61.229 . . 1 . . . . 42 ILE CA . 18299 1 433 . 1 1 42 42 ILE CB C 13 42.439 . . 1 . . . . 42 ILE CB . 18299 1 434 . 1 1 42 42 ILE CG1 C 13 28.153 . . 1 . . . . 42 ILE CG1 . 18299 1 435 . 1 1 42 42 ILE CG2 C 13 18.968 . . 1 . . . . 42 ILE CG2 . 18299 1 436 . 1 1 42 42 ILE CD1 C 13 16.206 . . 1 . . . . 42 ILE CD1 . 18299 1 437 . 1 1 42 42 ILE N N 15 125.941 . . 1 . . . . 42 ILE N . 18299 1 438 . 1 1 43 43 GLU H H 1 9.510 . . 1 . . . . 43 GLU HN . 18299 1 439 . 1 1 43 43 GLU HA H 1 5.456 . . 1 . . . . 43 GLU HA . 18299 1 440 . 1 1 43 43 GLU HB2 H 1 2.111 . . 2 . . . . 43 GLU HB2 . 18299 1 441 . 1 1 43 43 GLU HB3 H 1 1.942 . . 2 . . . . 43 GLU HB3 . 18299 1 442 . 1 1 43 43 GLU HG2 H 1 2.207 . . 2 . . . . 43 GLU HG2 . 18299 1 443 . 1 1 43 43 GLU HG3 H 1 2.079 . . 2 . . . . 43 GLU HG3 . 18299 1 444 . 1 1 43 43 GLU C C 13 176.185 . . 1 . . . . 43 GLU C . 18299 1 445 . 1 1 43 43 GLU CA C 13 54.885 . . 1 . . . . 43 GLU CA . 18299 1 446 . 1 1 43 43 GLU CB C 13 32.026 . . 1 . . . . 43 GLU CB . 18299 1 447 . 1 1 43 43 GLU CG C 13 36.314 . . 1 . . . . 43 GLU CG . 18299 1 448 . 1 1 43 43 GLU N N 15 130.488 . . 1 . . . . 43 GLU N . 18299 1 449 . 1 1 44 44 SER H H 1 8.681 . . 1 . . . . 44 SER HN . 18299 1 450 . 1 1 44 44 SER HA H 1 4.868 . . 1 . . . . 44 SER HA . 18299 1 451 . 1 1 44 44 SER HB2 H 1 4.398 . . 2 . . . . 44 SER HB2 . 18299 1 452 . 1 1 44 44 SER HB3 H 1 3.815 . . 2 . . . . 44 SER HB3 . 18299 1 453 . 1 1 44 44 SER C C 13 173.026 . . 1 . . . . 44 SER C . 18299 1 454 . 1 1 44 44 SER CA C 13 59.104 . . 1 . . . . 44 SER CA . 18299 1 455 . 1 1 44 44 SER CB C 13 66.159 . . 1 . . . . 44 SER CB . 18299 1 456 . 1 1 44 44 SER N N 15 119.391 . . 1 . . . . 44 SER N . 18299 1 457 . 1 1 45 45 GLU H H 1 9.026 . . 1 . . . . 45 GLU HN . 18299 1 458 . 1 1 45 45 GLU HA H 1 4.554 . . 1 . . . . 45 GLU HA . 18299 1 459 . 1 1 45 45 GLU HB2 H 1 2.236 . . 2 . . . . 45 GLU HB2 . 18299 1 460 . 1 1 45 45 GLU HB3 H 1 1.785 . . 2 . . . . 45 GLU HB3 . 18299 1 461 . 1 1 45 45 GLU HG2 H 1 2.339 . . 2 . . . . 45 GLU HG2 . 18299 1 462 . 1 1 45 45 GLU HG3 H 1 2.225 . . 2 . . . . 45 GLU HG3 . 18299 1 463 . 1 1 45 45 GLU C C 13 177.473 . . 1 . . . . 45 GLU C . 18299 1 464 . 1 1 45 45 GLU CA C 13 56.207 . . 1 . . . . 45 GLU CA . 18299 1 465 . 1 1 45 45 GLU CB C 13 29.851 . . 1 . . . . 45 GLU CB . 18299 1 466 . 1 1 45 45 GLU CG C 13 36.404 . . 1 . . . . 45 GLU CG . 18299 1 467 . 1 1 45 45 GLU N N 15 121.420 . . 1 . . . . 45 GLU N . 18299 1 468 . 1 1 46 46 HIS H H 1 8.423 . . 1 . . . . 46 HIS HN . 18299 1 469 . 1 1 46 46 HIS HA H 1 4.643 . . 1 . . . . 46 HIS HA . 18299 1 470 . 1 1 46 46 HIS HB2 H 1 2.878 . . 2 . . . . 46 HIS HB2 . 18299 1 471 . 1 1 46 46 HIS C C 13 175.514 . . 1 . . . . 46 HIS C . 18299 1 472 . 1 1 46 46 HIS CA C 13 56.915 . . 1 . . . . 46 HIS CA . 18299 1 473 . 1 1 46 46 HIS CB C 13 31.725 . . 1 . . . . 46 HIS CB . 18299 1 474 . 1 1 46 46 HIS N N 15 119.653 . . 1 . . . . 46 HIS N . 18299 1 475 . 1 1 47 47 SER H H 1 9.093 . . 1 . . . . 47 SER HN . 18299 1 476 . 1 1 47 47 SER HA H 1 4.349 . . 1 . . . . 47 SER HA . 18299 1 477 . 1 1 47 47 SER HB2 H 1 4.177 . . 2 . . . . 47 SER HB2 . 18299 1 478 . 1 1 47 47 SER C C 13 174.638 . . 1 . . . . 47 SER C . 18299 1 479 . 1 1 47 47 SER CA C 13 57.438 . . 1 . . . . 47 SER CA . 18299 1 480 . 1 1 47 47 SER CB C 13 65.022 . . 1 . . . . 47 SER CB . 18299 1 481 . 1 1 47 47 SER N N 15 116.562 . . 1 . . . . 47 SER N . 18299 1 482 . 1 1 48 48 MET H H 1 8.920 . . 1 . . . . 48 MET HN . 18299 1 483 . 1 1 48 48 MET HA H 1 3.412 . . 1 . . . . 48 MET HA . 18299 1 484 . 1 1 48 48 MET HB2 H 1 1.761 . . 2 . . . . 48 MET HB2 . 18299 1 485 . 1 1 48 48 MET HB3 H 1 1.473 . . 2 . . . . 48 MET HB3 . 18299 1 486 . 1 1 48 48 MET HG2 H 1 1.617 . . 2 . . . . 48 MET HG2 . 18299 1 487 . 1 1 48 48 MET C C 13 177.797 . . 1 . . . . 48 MET C . 18299 1 488 . 1 1 48 48 MET CA C 13 60.298 . . 1 . . . . 48 MET CA . 18299 1 489 . 1 1 48 48 MET CB C 13 30.776 . . 1 . . . . 48 MET CB . 18299 1 490 . 1 1 48 48 MET N N 15 121.402 . . 1 . . . . 48 MET N . 18299 1 491 . 1 1 49 49 ASP H H 1 8.345 . . 1 . . . . 49 ASP HN . 18299 1 492 . 1 1 49 49 ASP HA H 1 4.202 . . 1 . . . . 49 ASP HA . 18299 1 493 . 1 1 49 49 ASP HB2 H 1 2.545 . . 2 . . . . 49 ASP HB2 . 18299 1 494 . 1 1 49 49 ASP C C 13 179.291 . . 1 . . . . 49 ASP C . 18299 1 495 . 1 1 49 49 ASP CA C 13 57.555 . . 1 . . . . 49 ASP CA . 18299 1 496 . 1 1 49 49 ASP CB C 13 40.852 . . 1 . . . . 49 ASP CB . 18299 1 497 . 1 1 49 49 ASP N N 15 116.251 . . 1 . . . . 49 ASP N . 18299 1 498 . 1 1 50 50 THR H H 1 8.019 . . 1 . . . . 50 THR HN . 18299 1 499 . 1 1 50 50 THR HA H 1 4.305 . . 1 . . . . 50 THR HA . 18299 1 500 . 1 1 50 50 THR HB H 1 3.901 . . 1 . . . . 50 THR HB . 18299 1 501 . 1 1 50 50 THR HG1 H 1 4.794 . . 1 . . . . 50 THR HG1 . 18299 1 502 . 1 1 50 50 THR HG21 H 1 0.961 . . 1 . . . . 50 THR HG21 . 18299 1 503 . 1 1 50 50 THR HG22 H 1 0.961 . . 1 . . . . 50 THR HG21 . 18299 1 504 . 1 1 50 50 THR HG23 H 1 0.961 . . 1 . . . . 50 THR HG21 . 18299 1 505 . 1 1 50 50 THR C C 13 177.416 . . 1 . . . . 50 THR C . 18299 1 506 . 1 1 50 50 THR CA C 13 66.392 . . 1 . . . . 50 THR CA . 18299 1 507 . 1 1 50 50 THR CB C 13 68.452 . . 1 . . . . 50 THR CB . 18299 1 508 . 1 1 50 50 THR CG2 C 13 21.517 . . 1 . . . . 50 THR CG2 . 18299 1 509 . 1 1 50 50 THR N N 15 120.023 . . 1 . . . . 50 THR N . 18299 1 510 . 1 1 51 51 LEU H H 1 8.043 . . 1 . . . . 51 LEU HN . 18299 1 511 . 1 1 51 51 LEU HA H 1 3.508 . . 1 . . . . 51 LEU HA . 18299 1 512 . 1 1 51 51 LEU HB2 H 1 2.049 . . 2 . . . . 51 LEU HB2 . 18299 1 513 . 1 1 51 51 LEU HB3 H 1 0.859 . . 2 . . . . 51 LEU HB3 . 18299 1 514 . 1 1 51 51 LEU HG H 1 1.741 . . 1 . . . . 51 LEU HG . 18299 1 515 . 1 1 51 51 LEU HD11 H 1 0.675 . . 2 . . . . 51 LEU HD11 . 18299 1 516 . 1 1 51 51 LEU HD12 H 1 0.675 . . 2 . . . . 51 LEU HD11 . 18299 1 517 . 1 1 51 51 LEU HD13 H 1 0.675 . . 2 . . . . 51 LEU HD11 . 18299 1 518 . 1 1 51 51 LEU C C 13 177.386 . . 1 . . . . 51 LEU C . 18299 1 519 . 1 1 51 51 LEU CA C 13 58.463 . . 1 . . . . 51 LEU CA . 18299 1 520 . 1 1 51 51 LEU CB C 13 42.368 . . 1 . . . . 51 LEU CB . 18299 1 521 . 1 1 51 51 LEU N N 15 124.562 . . 1 . . . . 51 LEU N . 18299 1 522 . 1 1 52 52 LEU H H 1 8.993 . . 1 . . . . 52 LEU HN . 18299 1 523 . 1 1 52 52 LEU HA H 1 3.546 . . 1 . . . . 52 LEU HA . 18299 1 524 . 1 1 52 52 LEU HB2 H 1 1.923 . . 2 . . . . 52 LEU HB2 . 18299 1 525 . 1 1 52 52 LEU HB3 H 1 1.763 . . 2 . . . . 52 LEU HB3 . 18299 1 526 . 1 1 52 52 LEU HG H 1 1.588 . . 1 . . . . 52 LEU HG . 18299 1 527 . 1 1 52 52 LEU HD11 H 1 1.016 . . 2 . . . . 52 LEU HD11 . 18299 1 528 . 1 1 52 52 LEU HD12 H 1 1.016 . . 2 . . . . 52 LEU HD11 . 18299 1 529 . 1 1 52 52 LEU HD13 H 1 1.016 . . 2 . . . . 52 LEU HD11 . 18299 1 530 . 1 1 52 52 LEU C C 13 178.065 . . 1 . . . . 52 LEU C . 18299 1 531 . 1 1 52 52 LEU CA C 13 58.471 . . 1 . . . . 52 LEU CA . 18299 1 532 . 1 1 52 52 LEU CB C 13 42.701 . . 1 . . . . 52 LEU CB . 18299 1 533 . 1 1 52 52 LEU CD1 C 13 25.387 . . 2 . . . . 52 LEU CD1 . 18299 1 534 . 1 1 52 52 LEU CD2 C 13 23.799 . . 2 . . . . 52 LEU CD2 . 18299 1 535 . 1 1 52 52 LEU N N 15 120.718 . . 1 . . . . 52 LEU N . 18299 1 536 . 1 1 53 53 ALA H H 1 7.859 . . 1 . . . . 53 ALA HN . 18299 1 537 . 1 1 53 53 ALA HA H 1 3.913 . . 1 . . . . 53 ALA HA . 18299 1 538 . 1 1 53 53 ALA HB1 H 1 1.452 . . 1 . . . . 53 ALA HB1 . 18299 1 539 . 1 1 53 53 ALA HB2 H 1 1.452 . . 1 . . . . 53 ALA HB1 . 18299 1 540 . 1 1 53 53 ALA HB3 H 1 1.452 . . 1 . . . . 53 ALA HB1 . 18299 1 541 . 1 1 53 53 ALA C C 13 180.677 . . 1 . . . . 53 ALA C . 18299 1 542 . 1 1 53 53 ALA CA C 13 55.035 . . 1 . . . . 53 ALA CA . 18299 1 543 . 1 1 53 53 ALA CB C 13 18.169 . . 1 . . . . 53 ALA CB . 18299 1 544 . 1 1 53 53 ALA N N 15 118.641 . . 1 . . . . 53 ALA N . 18299 1 545 . 1 1 54 54 THR H H 1 7.688 . . 1 . . . . 54 THR HN . 18299 1 546 . 1 1 54 54 THR HA H 1 3.662 . . 1 . . . . 54 THR HA . 18299 1 547 . 1 1 54 54 THR HB H 1 4.094 . . 1 . . . . 54 THR HB . 18299 1 548 . 1 1 54 54 THR HG21 H 1 0.979 . . 1 . . . . 54 THR HG21 . 18299 1 549 . 1 1 54 54 THR HG22 H 1 0.979 . . 1 . . . . 54 THR HG21 . 18299 1 550 . 1 1 54 54 THR HG23 H 1 0.979 . . 1 . . . . 54 THR HG21 . 18299 1 551 . 1 1 54 54 THR C C 13 175.694 . . 1 . . . . 54 THR C . 18299 1 552 . 1 1 54 54 THR CA C 13 67.449 . . 1 . . . . 54 THR CA . 18299 1 553 . 1 1 54 54 THR CB C 13 68.226 . . 1 . . . . 54 THR CB . 18299 1 554 . 1 1 54 54 THR CG2 C 13 20.889 . . 1 . . . . 54 THR CG2 . 18299 1 555 . 1 1 54 54 THR N N 15 114.407 . . 1 . . . . 54 THR N . 18299 1 556 . 1 1 55 55 LEU H H 1 8.104 . . 1 . . . . 55 LEU HN . 18299 1 557 . 1 1 55 55 LEU HA H 1 3.802 . . 1 . . . . 55 LEU HA . 18299 1 558 . 1 1 55 55 LEU HB2 H 1 1.733 . . 2 . . . . 55 LEU HB2 . 18299 1 559 . 1 1 55 55 LEU HB3 H 1 1.003 . . 2 . . . . 55 LEU HB3 . 18299 1 560 . 1 1 55 55 LEU HG H 1 1.371 . . 1 . . . . 55 LEU HG . 18299 1 561 . 1 1 55 55 LEU HD11 H 1 0.548 . . 2 . . . . 55 LEU HD11 . 18299 1 562 . 1 1 55 55 LEU HD12 H 1 0.548 . . 2 . . . . 55 LEU HD11 . 18299 1 563 . 1 1 55 55 LEU HD13 H 1 0.548 . . 2 . . . . 55 LEU HD11 . 18299 1 564 . 1 1 55 55 LEU HD21 H 1 -0.147 . . 2 . . . . 55 LEU HD21 . 18299 1 565 . 1 1 55 55 LEU HD22 H 1 -0.147 . . 2 . . . . 55 LEU HD21 . 18299 1 566 . 1 1 55 55 LEU HD23 H 1 -0.147 . . 2 . . . . 55 LEU HD21 . 18299 1 567 . 1 1 55 55 LEU C C 13 179.660 . . 1 . . . . 55 LEU C . 18299 1 568 . 1 1 55 55 LEU CA C 13 57.851 . . 1 . . . . 55 LEU CA . 18299 1 569 . 1 1 55 55 LEU CB C 13 43.007 . . 1 . . . . 55 LEU CB . 18299 1 570 . 1 1 55 55 LEU CD1 C 13 24.471 . . 2 . . . . 55 LEU CD1 . 18299 1 571 . 1 1 55 55 LEU CD2 C 13 23.319 . . 2 . . . . 55 LEU CD2 . 18299 1 572 . 1 1 55 55 LEU N N 15 119.491 . . 1 . . . . 55 LEU N . 18299 1 573 . 1 1 56 56 LYS H H 1 8.333 . . 1 . . . . 56 LYS HN . 18299 1 574 . 1 1 56 56 LYS HA H 1 3.969 . . 1 . . . . 56 LYS HA . 18299 1 575 . 1 1 56 56 LYS HB2 H 1 1.987 . . 2 . . . . 56 LYS HB2 . 18299 1 576 . 1 1 56 56 LYS HB3 H 1 1.814 . . 2 . . . . 56 LYS HB3 . 18299 1 577 . 1 1 56 56 LYS HG2 H 1 1.506 . . 2 . . . . 56 LYS HG2 . 18299 1 578 . 1 1 56 56 LYS HD2 H 1 1.696 . . 2 . . . . 56 LYS HD2 . 18299 1 579 . 1 1 56 56 LYS HE2 H 1 3.046 . . 2 . . . . 56 LYS HE2 . 18299 1 580 . 1 1 56 56 LYS HE3 H 1 2.864 . . 2 . . . . 56 LYS HE3 . 18299 1 581 . 1 1 56 56 LYS C C 13 179.227 . . 1 . . . . 56 LYS C . 18299 1 582 . 1 1 56 56 LYS CA C 13 59.776 . . 1 . . . . 56 LYS CA . 18299 1 583 . 1 1 56 56 LYS CB C 13 32.222 . . 1 . . . . 56 LYS CB . 18299 1 584 . 1 1 56 56 LYS CG C 13 27.218 . . 1 . . . . 56 LYS CG . 18299 1 585 . 1 1 56 56 LYS CD C 13 29.768 . . 1 . . . . 56 LYS CD . 18299 1 586 . 1 1 56 56 LYS N N 15 119.317 . . 1 . . . . 56 LYS N . 18299 1 587 . 1 1 57 57 LYS H H 1 7.646 . . 1 . . . . 57 LYS HN . 18299 1 588 . 1 1 57 57 LYS HA H 1 4.162 . . 1 . . . . 57 LYS HA . 18299 1 589 . 1 1 57 57 LYS HB2 H 1 2.141 . . 2 . . . . 57 LYS HB2 . 18299 1 590 . 1 1 57 57 LYS HB3 H 1 1.986 . . 2 . . . . 57 LYS HB3 . 18299 1 591 . 1 1 57 57 LYS HG2 H 1 1.728 . . 2 . . . . 57 LYS HG2 . 18299 1 592 . 1 1 57 57 LYS HG3 H 1 1.510 . . 2 . . . . 57 LYS HG3 . 18299 1 593 . 1 1 57 57 LYS HD2 H 1 1.886 . . 2 . . . . 57 LYS HD2 . 18299 1 594 . 1 1 57 57 LYS HE2 H 1 2.956 . . 2 . . . . 57 LYS HE2 . 18299 1 595 . 1 1 57 57 LYS C C 13 178.128 . . 1 . . . . 57 LYS C . 18299 1 596 . 1 1 57 57 LYS CA C 13 59.083 . . 1 . . . . 57 LYS CA . 18299 1 597 . 1 1 57 57 LYS CB C 13 32.452 . . 1 . . . . 57 LYS CB . 18299 1 598 . 1 1 57 57 LYS CG C 13 25.284 . . 1 . . . . 57 LYS CG . 18299 1 599 . 1 1 57 57 LYS CD C 13 29.588 . . 1 . . . . 57 LYS CD . 18299 1 600 . 1 1 57 57 LYS CE C 13 41.785 . . 1 . . . . 57 LYS CE . 18299 1 601 . 1 1 57 57 LYS N N 15 120.188 . . 1 . . . . 57 LYS N . 18299 1 602 . 1 1 58 58 THR H H 1 7.483 . . 1 . . . . 58 THR HN . 18299 1 603 . 1 1 58 58 THR HA H 1 4.277 . . 1 . . . . 58 THR HA . 18299 1 604 . 1 1 58 58 THR HB H 1 4.088 . . 1 . . . . 58 THR HB . 18299 1 605 . 1 1 58 58 THR HG21 H 1 1.258 . . 1 . . . . 58 THR HG21 . 18299 1 606 . 1 1 58 58 THR HG22 H 1 1.258 . . 1 . . . . 58 THR HG21 . 18299 1 607 . 1 1 58 58 THR HG23 H 1 1.258 . . 1 . . . . 58 THR HG21 . 18299 1 608 . 1 1 58 58 THR C C 13 175.933 . . 1 . . . . 58 THR C . 18299 1 609 . 1 1 58 58 THR CA C 13 63.742 . . 1 . . . . 58 THR CA . 18299 1 610 . 1 1 58 58 THR CB C 13 71.108 . . 1 . . . . 58 THR CB . 18299 1 611 . 1 1 58 58 THR CG2 C 13 21.697 . . 1 . . . . 58 THR CG2 . 18299 1 612 . 1 1 58 58 THR N N 15 106.563 . . 1 . . . . 58 THR N . 18299 1 613 . 1 1 59 59 GLY H H 1 7.774 . . 1 . . . . 59 GLY HN . 18299 1 614 . 1 1 59 59 GLY HA2 H 1 4.312 . . 2 . . . . 59 GLY HA2 . 18299 1 615 . 1 1 59 59 GLY HA3 H 1 3.724 . . 2 . . . . 59 GLY HA3 . 18299 1 616 . 1 1 59 59 GLY C C 13 173.171 . . 1 . . . . 59 GLY C . 18299 1 617 . 1 1 59 59 GLY CA C 13 44.991 . . 1 . . . . 59 GLY CA . 18299 1 618 . 1 1 59 59 GLY N N 15 108.569 . . 1 . . . . 59 GLY N . 18299 1 619 . 1 1 60 60 ALA H H 1 7.524 . . 1 . . . . 60 ALA HN . 18299 1 620 . 1 1 60 60 ALA HA H 1 4.506 . . 1 . . . . 60 ALA HA . 18299 1 621 . 1 1 60 60 ALA HB1 H 1 1.125 . . 1 . . . . 60 ALA HB1 . 18299 1 622 . 1 1 60 60 ALA HB2 H 1 1.125 . . 1 . . . . 60 ALA HB1 . 18299 1 623 . 1 1 60 60 ALA HB3 H 1 1.125 . . 1 . . . . 60 ALA HB1 . 18299 1 624 . 1 1 60 60 ALA C C 13 177.155 . . 1 . . . . 60 ALA C . 18299 1 625 . 1 1 60 60 ALA CA C 13 51.055 . . 1 . . . . 60 ALA CA . 18299 1 626 . 1 1 60 60 ALA CB C 13 20.308 . . 1 . . . . 60 ALA CB . 18299 1 627 . 1 1 60 60 ALA N N 15 122.420 . . 1 . . . . 60 ALA N . 18299 1 628 . 1 1 61 61 THR H H 1 8.491 . . 1 . . . . 61 THR HN . 18299 1 629 . 1 1 61 61 THR HA H 1 4.321 . . 1 . . . . 61 THR HA . 18299 1 630 . 1 1 61 61 THR HB H 1 4.098 . . 1 . . . . 61 THR HB . 18299 1 631 . 1 1 61 61 THR HG21 H 1 1.264 . . 1 . . . . 61 THR HG21 . 18299 1 632 . 1 1 61 61 THR HG22 H 1 1.264 . . 1 . . . . 61 THR HG21 . 18299 1 633 . 1 1 61 61 THR HG23 H 1 1.264 . . 1 . . . . 61 THR HG21 . 18299 1 634 . 1 1 61 61 THR C C 13 174.635 . . 1 . . . . 61 THR C . 18299 1 635 . 1 1 61 61 THR CA C 13 63.922 . . 1 . . . . 61 THR CA . 18299 1 636 . 1 1 61 61 THR CB C 13 68.904 . . 1 . . . . 61 THR CB . 18299 1 637 . 1 1 61 61 THR CG2 C 13 21.697 . . 1 . . . . 61 THR CG2 . 18299 1 638 . 1 1 61 61 THR N N 15 117.690 . . 1 . . . . 61 THR N . 18299 1 639 . 1 1 62 62 VAL H H 1 8.709 . . 1 . . . . 62 VAL HN . 18299 1 640 . 1 1 62 62 VAL HA H 1 5.314 . . 1 . . . . 62 VAL HA . 18299 1 641 . 1 1 62 62 VAL HB H 1 1.794 . . 1 . . . . 62 VAL HB . 18299 1 642 . 1 1 62 62 VAL HG11 H 1 0.784 . . 2 . . . . 62 VAL HG11 . 18299 1 643 . 1 1 62 62 VAL HG12 H 1 0.784 . . 2 . . . . 62 VAL HG11 . 18299 1 644 . 1 1 62 62 VAL HG13 H 1 0.784 . . 2 . . . . 62 VAL HG11 . 18299 1 645 . 1 1 62 62 VAL HG21 H 1 0.983 . . 2 . . . . 62 VAL HG21 . 18299 1 646 . 1 1 62 62 VAL HG22 H 1 0.983 . . 2 . . . . 62 VAL HG21 . 18299 1 647 . 1 1 62 62 VAL HG23 H 1 0.983 . . 2 . . . . 62 VAL HG21 . 18299 1 648 . 1 1 62 62 VAL C C 13 174.947 . . 1 . . . . 62 VAL C . 18299 1 649 . 1 1 62 62 VAL CA C 13 60.315 . . 1 . . . . 62 VAL CA . 18299 1 650 . 1 1 62 62 VAL CB C 13 35.664 . . 1 . . . . 62 VAL CB . 18299 1 651 . 1 1 62 62 VAL CG1 C 13 21.043 . . 2 . . . . 62 VAL CG1 . 18299 1 652 . 1 1 62 62 VAL CG2 C 13 22.717 . . 2 . . . . 62 VAL CG2 . 18299 1 653 . 1 1 62 62 VAL N N 15 129.030 . . 1 . . . . 62 VAL N . 18299 1 654 . 1 1 63 63 SER H H 1 8.988 . . 1 . . . . 63 SER HN . 18299 1 655 . 1 1 63 63 SER HA H 1 4.865 . . 1 . . . . 63 SER HA . 18299 1 656 . 1 1 63 63 SER HB2 H 1 3.854 . . 2 . . . . 63 SER HB2 . 18299 1 657 . 1 1 63 63 SER HB3 H 1 3.934 . . 2 . . . . 63 SER HB3 . 18299 1 658 . 1 1 63 63 SER C C 13 173.019 . . 1 . . . . 63 SER C . 18299 1 659 . 1 1 63 63 SER CA C 13 57.347 . . 1 . . . . 63 SER CA . 18299 1 660 . 1 1 63 63 SER CB C 13 65.605 . . 1 . . . . 63 SER CB . 18299 1 661 . 1 1 63 63 SER N N 15 119.588 . . 1 . . . . 63 SER N . 18299 1 662 . 1 1 64 64 TYR H H 1 9.391 . . 1 . . . . 64 TYR HN . 18299 1 663 . 1 1 64 64 TYR HA H 1 4.579 . . 1 . . . . 64 TYR HA . 18299 1 664 . 1 1 64 64 TYR HB2 H 1 2.964 . . 2 . . . . 64 TYR HB2 . 18299 1 665 . 1 1 64 64 TYR C C 13 175.523 . . 1 . . . . 64 TYR C . 18299 1 666 . 1 1 64 64 TYR CA C 13 57.454 . . 1 . . . . 64 TYR CA . 18299 1 667 . 1 1 64 64 TYR CB C 13 39.022 . . 1 . . . . 64 TYR CB . 18299 1 668 . 1 1 64 64 TYR N N 15 125.400 . . 1 . . . . 64 TYR N . 18299 1 669 . 1 1 65 65 LEU H H 1 8.304 . . 1 . . . . 65 LEU HN . 18299 1 670 . 1 1 65 65 LEU HA H 1 4.319 . . 1 . . . . 65 LEU HA . 18299 1 671 . 1 1 65 65 LEU HB2 H 1 1.362 . . 2 . . . . 65 LEU HB2 . 18299 1 672 . 1 1 65 65 LEU HD11 H 1 0.789 . . 2 . . . . 65 LEU HD11 . 18299 1 673 . 1 1 65 65 LEU HD12 H 1 0.789 . . 2 . . . . 65 LEU HD11 . 18299 1 674 . 1 1 65 65 LEU HD13 H 1 0.789 . . 2 . . . . 65 LEU HD11 . 18299 1 675 . 1 1 65 65 LEU HD21 H 1 0.809 . . 2 . . . . 65 LEU HD21 . 18299 1 676 . 1 1 65 65 LEU HD22 H 1 0.809 . . 2 . . . . 65 LEU HD21 . 18299 1 677 . 1 1 65 65 LEU HD23 H 1 0.809 . . 2 . . . . 65 LEU HD21 . 18299 1 678 . 1 1 65 65 LEU C C 13 176.473 . . 1 . . . . 65 LEU C . 18299 1 679 . 1 1 65 65 LEU CA C 13 54.677 . . 1 . . . . 65 LEU CA . 18299 1 680 . 1 1 65 65 LEU CB C 13 42.058 . . 1 . . . . 65 LEU CB . 18299 1 681 . 1 1 65 65 LEU CG C 13 26.681 . . 1 . . . . 65 LEU CG . 18299 1 682 . 1 1 65 65 LEU CD1 C 13 25.621 . . 2 . . . . 65 LEU CD1 . 18299 1 683 . 1 1 65 65 LEU CD2 C 13 22.301 . . 2 . . . . 65 LEU CD2 . 18299 1 684 . 1 1 65 65 LEU N N 15 128.500 . . 1 . . . . 65 LEU N . 18299 1 685 . 1 1 66 66 GLY H H 1 5.977 . . 1 . . . . 66 GLY HN . 18299 1 686 . 1 1 66 66 GLY HA2 H 1 3.976 . . 2 . . . . 66 GLY HA2 . 18299 1 687 . 1 1 66 66 GLY HA3 H 1 3.435 . . 2 . . . . 66 GLY HA3 . 18299 1 688 . 1 1 66 66 GLY C C 13 171.330 . . 1 . . . . 66 GLY C . 18299 1 689 . 1 1 66 66 GLY CA C 13 45.036 . . 1 . . . . 66 GLY CA . 18299 1 690 . 1 1 66 66 GLY N N 15 105.737 . . 1 . . . . 66 GLY N . 18299 1 691 . 1 1 67 67 LEU H H 1 7.947 . . 1 . . . . 67 LEU HN . 18299 1 692 . 1 1 67 67 LEU HA H 1 4.782 . . 1 . . . . 67 LEU HA . 18299 1 693 . 1 1 67 67 LEU HB2 H 1 1.620 . . 2 . . . . 67 LEU HB2 . 18299 1 694 . 1 1 67 67 LEU HD11 H 1 0.818 . . 2 . . . . 67 LEU HD11 . 18299 1 695 . 1 1 67 67 LEU HD12 H 1 0.818 . . 2 . . . . 67 LEU HD11 . 18299 1 696 . 1 1 67 67 LEU HD13 H 1 0.818 . . 2 . . . . 67 LEU HD11 . 18299 1 697 . 1 1 67 67 LEU HD21 H 1 0.779 . . 2 . . . . 67 LEU HD21 . 18299 1 698 . 1 1 67 67 LEU HD22 H 1 0.779 . . 2 . . . . 67 LEU HD21 . 18299 1 699 . 1 1 67 67 LEU HD23 H 1 0.779 . . 2 . . . . 67 LEU HD21 . 18299 1 700 . 1 1 67 67 LEU C C 13 177.339 . . 1 . . . . 67 LEU C . 18299 1 701 . 1 1 67 67 LEU CA C 13 54.376 . . 1 . . . . 67 LEU CA . 18299 1 702 . 1 1 67 67 LEU CB C 13 43.881 . . 1 . . . . 67 LEU CB . 18299 1 703 . 1 1 67 67 LEU CD1 C 13 26.662 . . 2 . . . . 67 LEU CD1 . 18299 1 704 . 1 1 67 67 LEU CD2 C 13 24.488 . . 2 . . . . 67 LEU CD2 . 18299 1 705 . 1 1 67 67 LEU N N 15 120.133 . . 1 . . . . 67 LEU N . 18299 1 706 . 1 1 68 68 GLU H H 1 8.297 . . 1 . . . . 68 GLU HN . 18299 1 707 . 1 1 68 68 GLU HA H 1 4.050 . . 1 . . . . 68 GLU HA . 18299 1 708 . 1 1 68 68 GLU HB2 H 1 1.997 . . 2 . . . . 68 GLU HB2 . 18299 1 709 . 1 1 68 68 GLU HB3 H 1 1.839 . . 2 . . . . 68 GLU HB3 . 18299 1 710 . 1 1 68 68 GLU HG2 H 1 2.197 . . 2 . . . . 68 GLU HG2 . 18299 1 711 . 1 1 68 68 GLU CA C 13 58.359 . . 1 . . . . 68 GLU CA . 18299 1 712 . 1 1 68 68 GLU CB C 13 31.428 . . 1 . . . . 68 GLU CB . 18299 1 713 . 1 1 68 68 GLU N N 15 128.179 . . 1 . . . . 68 GLU N . 18299 1 stop_ save_