data_16766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16766 _Entry.Title ; Solution Structure of the human BLM HRDC domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-04 _Entry.Accession_date 2010-03-04 _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 'NMR, 20 STRUCTURES' _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 'Young Mee' Kim . . . 16766 2 Byong-Seok Choi . . . 16766 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 . 'not applicable' 'not applicable' . 16766 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bloom syndrome' . 16766 'HRDC domain' . 16766 NMR . 16766 Structure . 16766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 16766 '15N chemical shifts' 88 16766 '1H chemical shifts' 624 16766 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 . . 2010-12-08 2010-03-04 update BMRB 'update entry citation' 16766 1 . . 2010-09-08 2010-03-04 original author 'original release' 16766 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20639533 _Citation.Full_citation . _Citation.Title 'Structure and function of the regulatory HRDC domain from human Bloom syndrome protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 38 _Citation.Journal_issue 21 _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 7764 _Citation.Page_last 7777 _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 'Young Mee' Kim . . . 16766 1 2 Byong-Seok Choi . . . 16766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16766 _Assembly.ID 1 _Assembly.Name 'BLM HRDC domain' _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 'BLM HRDC domain' 1 $entity A . yes native no no . . . 16766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BLM HRDC domain' _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 ; QREEMVKKCLGELTEVCKSL GKVFGVHYFNIFNTVTLKKL AESLSSDPEVLLQIDGVTED KLEKYGAEVISVLQKYSEWT SPAED ; _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 85 _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 9595.003 _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 11252 . "BLM HRDC domain" . . . . . 100.00 101 100.00 100.00 2.25e-53 . . . . 16766 1 2 no PDB 2KV2 . "Solution Structure Of The Human Blm Hrdc Domain" . . . . . 100.00 85 100.00 100.00 2.89e-53 . . . . 16766 1 3 no PDB 2RRD . "Structure Of Hrdc Domain From Human Bloom Syndrome Protein, Blm" . . . . . 100.00 101 100.00 100.00 2.25e-53 . . . . 16766 1 4 no PDB 4CDG . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Nanobody" . . . . . 100.00 673 100.00 100.00 7.50e-49 . . . . 16766 1 5 no PDB 4CGZ . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Dna" . . . . . 100.00 665 100.00 100.00 7.93e-49 . . . . 16766 1 6 no PDB 4O3M . "Ternary Complex Of Bloom's Syndrome Helicase" . . . . . 100.00 659 100.00 100.00 8.70e-49 . . . . 16766 1 7 no DBJ BAG36927 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 3.09e-48 . . . . 16766 1 8 no DBJ BAH12008 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1047 100.00 100.00 6.51e-48 . . . . 16766 1 9 no DBJ BAH13907 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 519 100.00 100.00 1.82e-49 . . . . 16766 1 10 no GB AAA87850 . "Bloom's syndrome protein [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 11 no GB AAH93622 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 12 no GB AAI01568 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 13 no GB AAI15031 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 14 no GB AAI15033 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 15 no REF NP_000048 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 16 no REF NP_001274175 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 1 17 no REF NP_001274176 . "Bloom syndrome protein isoform 2 [Homo sapiens]" . . . . . 51.76 1286 100.00 100.00 1.62e-18 . . . . 16766 1 18 no REF NP_001274177 . "Bloom syndrome protein isoform 3 [Homo sapiens]" . . . . . 100.00 1042 100.00 100.00 5.28e-48 . . . . 16766 1 19 no REF XP_001097543 . "PREDICTED: Bloom syndrome protein [Macaca mulatta]" . . . . . 100.00 1416 100.00 100.00 3.06e-48 . . . . 16766 1 20 no SP P54132 . "RecName: Full=Bloom syndrome protein; AltName: Full=DNA helicase, RecQ-like type 2; Short=RecQ2; AltName: Full=RecQ protein-lik" . . . . . 100.00 1417 100.00 100.00 2.57e-48 . . . . 16766 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 . GLN . 16766 1 2 . ARG . 16766 1 3 . GLU . 16766 1 4 . GLU . 16766 1 5 . MET . 16766 1 6 . VAL . 16766 1 7 . LYS . 16766 1 8 . LYS . 16766 1 9 . CYS . 16766 1 10 . LEU . 16766 1 11 . GLY . 16766 1 12 . GLU . 16766 1 13 . LEU . 16766 1 14 . THR . 16766 1 15 . GLU . 16766 1 16 . VAL . 16766 1 17 . CYS . 16766 1 18 . LYS . 16766 1 19 . SER . 16766 1 20 . LEU . 16766 1 21 . GLY . 16766 1 22 . LYS . 16766 1 23 . VAL . 16766 1 24 . PHE . 16766 1 25 . GLY . 16766 1 26 . VAL . 16766 1 27 . HIS . 16766 1 28 . TYR . 16766 1 29 . PHE . 16766 1 30 . ASN . 16766 1 31 . ILE . 16766 1 32 . PHE . 16766 1 33 . ASN . 16766 1 34 . THR . 16766 1 35 . VAL . 16766 1 36 . THR . 16766 1 37 . LEU . 16766 1 38 . LYS . 16766 1 39 . LYS . 16766 1 40 . LEU . 16766 1 41 . ALA . 16766 1 42 . GLU . 16766 1 43 . SER . 16766 1 44 . LEU . 16766 1 45 . SER . 16766 1 46 . SER . 16766 1 47 . ASP . 16766 1 48 . PRO . 16766 1 49 . GLU . 16766 1 50 . VAL . 16766 1 51 . LEU . 16766 1 52 . LEU . 16766 1 53 . GLN . 16766 1 54 . ILE . 16766 1 55 . ASP . 16766 1 56 . GLY . 16766 1 57 . VAL . 16766 1 58 . THR . 16766 1 59 . GLU . 16766 1 60 . ASP . 16766 1 61 . LYS . 16766 1 62 . LEU . 16766 1 63 . GLU . 16766 1 64 . LYS . 16766 1 65 . TYR . 16766 1 66 . GLY . 16766 1 67 . ALA . 16766 1 68 . GLU . 16766 1 69 . VAL . 16766 1 70 . ILE . 16766 1 71 . SER . 16766 1 72 . VAL . 16766 1 73 . LEU . 16766 1 74 . GLN . 16766 1 75 . LYS . 16766 1 76 . TYR . 16766 1 77 . SER . 16766 1 78 . GLU . 16766 1 79 . TRP . 16766 1 80 . THR . 16766 1 81 . SER . 16766 1 82 . PRO . 16766 1 83 . ALA . 16766 1 84 . GLU . 16766 1 85 . ASP . 16766 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 . GLN 1 1 16766 1 . ARG 2 2 16766 1 . GLU 3 3 16766 1 . GLU 4 4 16766 1 . MET 5 5 16766 1 . VAL 6 6 16766 1 . LYS 7 7 16766 1 . LYS 8 8 16766 1 . CYS 9 9 16766 1 . LEU 10 10 16766 1 . GLY 11 11 16766 1 . GLU 12 12 16766 1 . LEU 13 13 16766 1 . THR 14 14 16766 1 . GLU 15 15 16766 1 . VAL 16 16 16766 1 . CYS 17 17 16766 1 . LYS 18 18 16766 1 . SER 19 19 16766 1 . LEU 20 20 16766 1 . GLY 21 21 16766 1 . LYS 22 22 16766 1 . VAL 23 23 16766 1 . PHE 24 24 16766 1 . GLY 25 25 16766 1 . VAL 26 26 16766 1 . HIS 27 27 16766 1 . TYR 28 28 16766 1 . PHE 29 29 16766 1 . ASN 30 30 16766 1 . ILE 31 31 16766 1 . PHE 32 32 16766 1 . ASN 33 33 16766 1 . THR 34 34 16766 1 . VAL 35 35 16766 1 . THR 36 36 16766 1 . LEU 37 37 16766 1 . LYS 38 38 16766 1 . LYS 39 39 16766 1 . LEU 40 40 16766 1 . ALA 41 41 16766 1 . GLU 42 42 16766 1 . SER 43 43 16766 1 . LEU 44 44 16766 1 . SER 45 45 16766 1 . SER 46 46 16766 1 . ASP 47 47 16766 1 . PRO 48 48 16766 1 . GLU 49 49 16766 1 . VAL 50 50 16766 1 . LEU 51 51 16766 1 . LEU 52 52 16766 1 . GLN 53 53 16766 1 . ILE 54 54 16766 1 . ASP 55 55 16766 1 . GLY 56 56 16766 1 . VAL 57 57 16766 1 . THR 58 58 16766 1 . GLU 59 59 16766 1 . ASP 60 60 16766 1 . LYS 61 61 16766 1 . LEU 62 62 16766 1 . GLU 63 63 16766 1 . LYS 64 64 16766 1 . TYR 65 65 16766 1 . GLY 66 66 16766 1 . ALA 67 67 16766 1 . GLU 68 68 16766 1 . VAL 69 69 16766 1 . ILE 70 70 16766 1 . SER 71 71 16766 1 . VAL 72 72 16766 1 . LEU 73 73 16766 1 . GLN 74 74 16766 1 . LYS 75 75 16766 1 . TYR 76 76 16766 1 . SER 77 77 16766 1 . GLU 78 78 16766 1 . TRP 79 79 16766 1 . THR 80 80 16766 1 . SER 81 81 16766 1 . PRO 82 82 16766 1 . ALA 83 83 16766 1 . GLU 84 84 16766 1 . ASP 85 85 16766 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 16766 _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 . . . . . . . . . . . . . . . . BLM . . . . 16766 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 16766 _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 . . . . . . . . . . . . . . . . pET15b . . . . . . 16766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16766 _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 'BLM HRDC domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 16766 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16766 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16766 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16766 1 5 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16766 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16766 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16766 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16766 _Sample.ID 2 _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 'BLM HRDC domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 16766 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16766 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16766 2 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16766 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16766 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16766 2 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 16766 _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' 100 . mM 16766 1 pH 7.0 . pH 16766 1 pressure 1 . atm 16766 1 temperature 298 . K 16766 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16766 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16766 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 16766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16766 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16766 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16766 1 2 spectrometer_2 Bruker Avance . 800 . . . 16766 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 16766 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16766 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16766 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16766 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16766 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16766 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16766 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16766 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16766 1 9 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16766 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 16766 _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 . indirect 0.251449530 . . . . . . . . . 16766 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16766 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16766 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 16766 _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' . . . 16766 1 2 '3D 1H-15N NOESY' . . . 16766 1 3 '3D 1H-13C NOESY' . . . 16766 1 4 '3D HCCH-TOCSY' . . . 16766 1 5 '3D HNCACB' . . . 16766 1 6 '3D CBCA(CO)NH' . . . 16766 1 7 '3D HNCO' . . . 16766 1 8 '3D C(CO)NH' . . . 16766 1 9 '3D H(CCCO)NH' . . . 16766 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 GLN H H 1 8.300 0.020 . 1 . . . . 1 GLN H . 16766 1 2 . 1 1 1 1 GLN HA H 1 4.231 0.020 . 1 . . . . 1 GLN HA . 16766 1 3 . 1 1 1 1 GLN HB2 H 1 2.179 0.020 . 2 . . . . 1 GLN HB2 . 16766 1 4 . 1 1 1 1 GLN HB3 H 1 2.179 0.020 . 2 . . . . 1 GLN HB3 . 16766 1 5 . 1 1 1 1 GLN HE21 H 1 7.529 0.020 . 2 . . . . 1 GLN HE21 . 16766 1 6 . 1 1 1 1 GLN HE22 H 1 6.982 0.020 . 2 . . . . 1 GLN HE22 . 16766 1 7 . 1 1 1 1 GLN HG2 H 1 2.421 0.020 . 2 . . . . 1 GLN HG2 . 16766 1 8 . 1 1 1 1 GLN HG3 H 1 2.421 0.020 . 2 . . . . 1 GLN HG3 . 16766 1 9 . 1 1 1 1 GLN C C 13 177.510 0.400 . 1 . . . . 1 GLN C . 16766 1 10 . 1 1 1 1 GLN CA C 13 57.577 0.400 . 1 . . . . 1 GLN CA . 16766 1 11 . 1 1 1 1 GLN CB C 13 29.224 0.400 . 1 . . . . 1 GLN CB . 16766 1 12 . 1 1 1 1 GLN CG C 13 34.522 0.400 . 1 . . . . 1 GLN CG . 16766 1 13 . 1 1 1 1 GLN N N 15 120.127 0.400 . 1 . . . . 1 GLN N . 16766 1 14 . 1 1 1 1 GLN NE2 N 15 112.341 0.400 . 1 . . . . 1 GLN NE2 . 16766 1 15 . 1 1 2 2 ARG H H 1 8.555 0.020 . 1 . . . . 2 ARG H . 16766 1 16 . 1 1 2 2 ARG HA H 1 3.580 0.020 . 1 . . . . 2 ARG HA . 16766 1 17 . 1 1 2 2 ARG HB2 H 1 1.978 0.020 . 2 . . . . 2 ARG HB2 . 16766 1 18 . 1 1 2 2 ARG HB3 H 1 1.873 0.020 . 2 . . . . 2 ARG HB3 . 16766 1 19 . 1 1 2 2 ARG HD2 H 1 3.326 0.020 . 2 . . . . 2 ARG HD2 . 16766 1 20 . 1 1 2 2 ARG HD3 H 1 3.173 0.020 . 2 . . . . 2 ARG HD3 . 16766 1 21 . 1 1 2 2 ARG HE H 1 7.076 0.020 . 1 . . . . 2 ARG HE . 16766 1 22 . 1 1 2 2 ARG HG2 H 1 1.890 0.020 . 2 . . . . 2 ARG HG2 . 16766 1 23 . 1 1 2 2 ARG HG3 H 1 1.584 0.020 . 2 . . . . 2 ARG HG3 . 16766 1 24 . 1 1 2 2 ARG C C 13 177.916 0.400 . 1 . . . . 2 ARG C . 16766 1 25 . 1 1 2 2 ARG CA C 13 60.682 0.400 . 1 . . . . 2 ARG CA . 16766 1 26 . 1 1 2 2 ARG CB C 13 29.910 0.400 . 1 . . . . 2 ARG CB . 16766 1 27 . 1 1 2 2 ARG CD C 13 43.414 0.400 . 1 . . . . 2 ARG CD . 16766 1 28 . 1 1 2 2 ARG CG C 13 28.573 0.400 . 1 . . . . 2 ARG CG . 16766 1 29 . 1 1 2 2 ARG N N 15 122.482 0.400 . 1 . . . . 2 ARG N . 16766 1 30 . 1 1 3 3 GLU H H 1 8.477 0.020 . 1 . . . . 3 GLU H . 16766 1 31 . 1 1 3 3 GLU HA H 1 3.932 0.020 . 1 . . . . 3 GLU HA . 16766 1 32 . 1 1 3 3 GLU HB2 H 1 2.123 0.020 . 2 . . . . 3 GLU HB2 . 16766 1 33 . 1 1 3 3 GLU HB3 H 1 2.027 0.020 . 2 . . . . 3 GLU HB3 . 16766 1 34 . 1 1 3 3 GLU HG2 H 1 2.335 0.020 . 2 . . . . 3 GLU HG2 . 16766 1 35 . 1 1 3 3 GLU HG3 H 1 2.266 0.020 . 2 . . . . 3 GLU HG3 . 16766 1 36 . 1 1 3 3 GLU C C 13 178.113 0.400 . 1 . . . . 3 GLU C . 16766 1 37 . 1 1 3 3 GLU CA C 13 59.898 0.400 . 1 . . . . 3 GLU CA . 16766 1 38 . 1 1 3 3 GLU CB C 13 29.326 0.400 . 1 . . . . 3 GLU CB . 16766 1 39 . 1 1 3 3 GLU CG C 13 36.485 0.400 . 1 . . . . 3 GLU CG . 16766 1 40 . 1 1 3 3 GLU N N 15 116.995 0.400 . 1 . . . . 3 GLU N . 16766 1 41 . 1 1 4 4 GLU H H 1 7.560 0.020 . 1 . . . . 4 GLU H . 16766 1 42 . 1 1 4 4 GLU HA H 1 4.033 0.020 . 1 . . . . 4 GLU HA . 16766 1 43 . 1 1 4 4 GLU HB2 H 1 2.125 0.020 . 2 . . . . 4 GLU HB2 . 16766 1 44 . 1 1 4 4 GLU HB3 H 1 2.073 0.020 . 2 . . . . 4 GLU HB3 . 16766 1 45 . 1 1 4 4 GLU HG2 H 1 2.338 0.020 . 2 . . . . 4 GLU HG2 . 16766 1 46 . 1 1 4 4 GLU HG3 H 1 2.234 0.020 . 2 . . . . 4 GLU HG3 . 16766 1 47 . 1 1 4 4 GLU C C 13 179.475 0.400 . 1 . . . . 4 GLU C . 16766 1 48 . 1 1 4 4 GLU CA C 13 59.039 0.400 . 1 . . . . 4 GLU CA . 16766 1 49 . 1 1 4 4 GLU CB C 13 29.469 0.400 . 1 . . . . 4 GLU CB . 16766 1 50 . 1 1 4 4 GLU CG C 13 36.282 0.400 . 1 . . . . 4 GLU CG . 16766 1 51 . 1 1 4 4 GLU N N 15 118.887 0.400 . 1 . . . . 4 GLU N . 16766 1 52 . 1 1 5 5 MET H H 1 7.650 0.020 . 1 . . . . 5 MET H . 16766 1 53 . 1 1 5 5 MET HA H 1 4.267 0.020 . 1 . . . . 5 MET HA . 16766 1 54 . 1 1 5 5 MET HB2 H 1 1.760 0.020 . 2 . . . . 5 MET HB2 . 16766 1 55 . 1 1 5 5 MET HB3 H 1 1.450 0.020 . 2 . . . . 5 MET HB3 . 16766 1 56 . 1 1 5 5 MET HE1 H 1 1.870 0.020 . 1 . . . . 5 MET HE3 . 16766 1 57 . 1 1 5 5 MET HE2 H 1 1.870 0.020 . 1 . . . . 5 MET HE2 . 16766 1 58 . 1 1 5 5 MET HE3 H 1 1.870 0.020 . 1 . . . . 5 MET HE3 . 16766 1 59 . 1 1 5 5 MET HG2 H 1 2.127 0.020 . 2 . . . . 5 MET HG2 . 16766 1 60 . 1 1 5 5 MET HG3 H 1 2.127 0.020 . 2 . . . . 5 MET HG3 . 16766 1 61 . 1 1 5 5 MET C C 13 179.312 0.400 . 1 . . . . 5 MET C . 16766 1 62 . 1 1 5 5 MET CA C 13 57.570 0.400 . 1 . . . . 5 MET CA . 16766 1 63 . 1 1 5 5 MET CB C 13 31.852 0.400 . 1 . . . . 5 MET CB . 16766 1 64 . 1 1 5 5 MET CE C 13 18.172 0.400 . 1 . . . . 5 MET CE . 16766 1 65 . 1 1 5 5 MET CG C 13 31.898 0.400 . 1 . . . . 5 MET CG . 16766 1 66 . 1 1 5 5 MET N N 15 120.007 0.400 . 1 . . . . 5 MET N . 16766 1 67 . 1 1 6 6 VAL H H 1 8.465 0.020 . 1 . . . . 6 VAL H . 16766 1 68 . 1 1 6 6 VAL HA H 1 3.281 0.020 . 1 . . . . 6 VAL HA . 16766 1 69 . 1 1 6 6 VAL HB H 1 2.095 0.020 . 1 . . . . 6 VAL HB . 16766 1 70 . 1 1 6 6 VAL HG11 H 1 0.731 0.020 . 2 . . . . 6 VAL HG1 . 16766 1 71 . 1 1 6 6 VAL HG12 H 1 0.731 0.020 . 2 . . . . 6 VAL HG1 . 16766 1 72 . 1 1 6 6 VAL HG13 H 1 0.731 0.020 . 2 . . . . 6 VAL HG1 . 16766 1 73 . 1 1 6 6 VAL HG21 H 1 1.102 0.020 . 2 . . . . 6 VAL HG2 . 16766 1 74 . 1 1 6 6 VAL HG22 H 1 1.102 0.020 . 2 . . . . 6 VAL HG2 . 16766 1 75 . 1 1 6 6 VAL HG23 H 1 1.102 0.020 . 2 . . . . 6 VAL HG2 . 16766 1 76 . 1 1 6 6 VAL C C 13 177.686 0.400 . 1 . . . . 6 VAL C . 16766 1 77 . 1 1 6 6 VAL CA C 13 67.081 0.400 . 1 . . . . 6 VAL CA . 16766 1 78 . 1 1 6 6 VAL CB C 13 31.953 0.400 . 1 . . . . 6 VAL CB . 16766 1 79 . 1 1 6 6 VAL CG1 C 13 20.821 0.400 . 1 . . . . 6 VAL CG1 . 16766 1 80 . 1 1 6 6 VAL CG2 C 13 22.958 0.400 . 1 . . . . 6 VAL CG2 . 16766 1 81 . 1 1 6 6 VAL N N 15 121.244 0.400 . 1 . . . . 6 VAL N . 16766 1 82 . 1 1 7 7 LYS H H 1 7.441 0.020 . 1 . . . . 7 LYS H . 16766 1 83 . 1 1 7 7 LYS HA H 1 3.850 0.020 . 1 . . . . 7 LYS HA . 16766 1 84 . 1 1 7 7 LYS HB2 H 1 1.872 0.020 . 2 . . . . 7 LYS HB2 . 16766 1 85 . 1 1 7 7 LYS HB3 H 1 1.872 0.020 . 2 . . . . 7 LYS HB3 . 16766 1 86 . 1 1 7 7 LYS HD2 H 1 1.677 0.020 . 2 . . . . 7 LYS HD2 . 16766 1 87 . 1 1 7 7 LYS HD3 H 1 1.677 0.020 . 2 . . . . 7 LYS HD3 . 16766 1 88 . 1 1 7 7 LYS HE2 H 1 2.927 0.020 . 2 . . . . 7 LYS HE2 . 16766 1 89 . 1 1 7 7 LYS HE3 H 1 2.927 0.020 . 2 . . . . 7 LYS HE3 . 16766 1 90 . 1 1 7 7 LYS HG2 H 1 1.591 0.020 . 2 . . . . 7 LYS HG2 . 16766 1 91 . 1 1 7 7 LYS HG3 H 1 1.388 0.020 . 2 . . . . 7 LYS HG3 . 16766 1 92 . 1 1 7 7 LYS C C 13 177.867 0.400 . 1 . . . . 7 LYS C . 16766 1 93 . 1 1 7 7 LYS CA C 13 59.923 0.400 . 1 . . . . 7 LYS CA . 16766 1 94 . 1 1 7 7 LYS CB C 13 32.511 0.400 . 1 . . . . 7 LYS CB . 16766 1 95 . 1 1 7 7 LYS CD C 13 29.453 0.400 . 1 . . . . 7 LYS CD . 16766 1 96 . 1 1 7 7 LYS CE C 13 41.921 0.400 . 1 . . . . 7 LYS CE . 16766 1 97 . 1 1 7 7 LYS CG C 13 25.633 0.400 . 1 . . . . 7 LYS CG . 16766 1 98 . 1 1 7 7 LYS N N 15 117.948 0.400 . 1 . . . . 7 LYS N . 16766 1 99 . 1 1 8 8 LYS H H 1 7.923 0.020 . 1 . . . . 8 LYS H . 16766 1 100 . 1 1 8 8 LYS HA H 1 3.994 0.020 . 1 . . . . 8 LYS HA . 16766 1 101 . 1 1 8 8 LYS HB2 H 1 2.064 0.020 . 2 . . . . 8 LYS HB2 . 16766 1 102 . 1 1 8 8 LYS HB3 H 1 1.931 0.020 . 2 . . . . 8 LYS HB3 . 16766 1 103 . 1 1 8 8 LYS HD2 H 1 1.786 0.020 . 2 . . . . 8 LYS HD2 . 16766 1 104 . 1 1 8 8 LYS HD3 H 1 1.786 0.020 . 2 . . . . 8 LYS HD3 . 16766 1 105 . 1 1 8 8 LYS HE2 H 1 3.079 0.020 . 2 . . . . 8 LYS HE2 . 16766 1 106 . 1 1 8 8 LYS HE3 H 1 3.024 0.020 . 2 . . . . 8 LYS HE3 . 16766 1 107 . 1 1 8 8 LYS HG2 H 1 1.625 0.020 . 2 . . . . 8 LYS HG2 . 16766 1 108 . 1 1 8 8 LYS HG3 H 1 1.568 0.020 . 2 . . . . 8 LYS HG3 . 16766 1 109 . 1 1 8 8 LYS C C 13 179.837 0.400 . 1 . . . . 8 LYS C . 16766 1 110 . 1 1 8 8 LYS CA C 13 59.681 0.400 . 1 . . . . 8 LYS CA . 16766 1 111 . 1 1 8 8 LYS CB C 13 33.052 0.400 . 1 . . . . 8 LYS CB . 16766 1 112 . 1 1 8 8 LYS CD C 13 29.872 0.400 . 1 . . . . 8 LYS CD . 16766 1 113 . 1 1 8 8 LYS CE C 13 42.221 0.400 . 1 . . . . 8 LYS CE . 16766 1 114 . 1 1 8 8 LYS CG C 13 25.403 0.400 . 1 . . . . 8 LYS CG . 16766 1 115 . 1 1 8 8 LYS N N 15 122.346 0.400 . 1 . . . . 8 LYS N . 16766 1 116 . 1 1 9 9 CYS H H 1 8.679 0.020 . 1 . . . . 9 CYS H . 16766 1 117 . 1 1 9 9 CYS HA H 1 3.621 0.020 . 1 . . . . 9 CYS HA . 16766 1 118 . 1 1 9 9 CYS HB2 H 1 2.603 0.020 . 2 . . . . 9 CYS HB2 . 16766 1 119 . 1 1 9 9 CYS HB3 H 1 1.595 0.020 . 2 . . . . 9 CYS HB3 . 16766 1 120 . 1 1 9 9 CYS C C 13 178.970 0.400 . 1 . . . . 9 CYS C . 16766 1 121 . 1 1 9 9 CYS CA C 13 62.060 0.400 . 1 . . . . 9 CYS CA . 16766 1 122 . 1 1 9 9 CYS CB C 13 26.256 0.400 . 1 . . . . 9 CYS CB . 16766 1 123 . 1 1 9 9 CYS N N 15 122.062 0.400 . 1 . . . . 9 CYS N . 16766 1 124 . 1 1 10 10 LEU H H 1 8.829 0.020 . 1 . . . . 10 LEU H . 16766 1 125 . 1 1 10 10 LEU HA H 1 3.935 0.020 . 1 . . . . 10 LEU HA . 16766 1 126 . 1 1 10 10 LEU HB2 H 1 2.015 0.020 . 2 . . . . 10 LEU HB2 . 16766 1 127 . 1 1 10 10 LEU HB3 H 1 1.333 0.020 . 2 . . . . 10 LEU HB3 . 16766 1 128 . 1 1 10 10 LEU HD11 H 1 0.860 0.020 . 2 . . . . 10 LEU HD1 . 16766 1 129 . 1 1 10 10 LEU HD12 H 1 0.860 0.020 . 2 . . . . 10 LEU HD1 . 16766 1 130 . 1 1 10 10 LEU HD13 H 1 0.860 0.020 . 2 . . . . 10 LEU HD1 . 16766 1 131 . 1 1 10 10 LEU HD21 H 1 0.903 0.020 . 2 . . . . 10 LEU HD2 . 16766 1 132 . 1 1 10 10 LEU HD22 H 1 0.903 0.020 . 2 . . . . 10 LEU HD2 . 16766 1 133 . 1 1 10 10 LEU HD23 H 1 0.903 0.020 . 2 . . . . 10 LEU HD2 . 16766 1 134 . 1 1 10 10 LEU HG H 1 1.515 0.020 . 1 . . . . 10 LEU HG . 16766 1 135 . 1 1 10 10 LEU C C 13 176.341 0.400 . 1 . . . . 10 LEU C . 16766 1 136 . 1 1 10 10 LEU CA C 13 58.437 0.400 . 1 . . . . 10 LEU CA . 16766 1 137 . 1 1 10 10 LEU CB C 13 41.417 0.400 . 1 . . . . 10 LEU CB . 16766 1 138 . 1 1 10 10 LEU CD1 C 13 22.983 0.400 . 1 . . . . 10 LEU CD1 . 16766 1 139 . 1 1 10 10 LEU CD2 C 13 26.053 0.400 . 1 . . . . 10 LEU CD2 . 16766 1 140 . 1 1 10 10 LEU CG C 13 27.031 0.400 . 1 . . . . 10 LEU CG . 16766 1 141 . 1 1 10 10 LEU N N 15 119.878 0.400 . 1 . . . . 10 LEU N . 16766 1 142 . 1 1 11 11 GLY H H 1 7.988 0.020 . 1 . . . . 11 GLY H . 16766 1 143 . 1 1 11 11 GLY HA2 H 1 4.037 0.020 . 2 . . . . 11 GLY HA2 . 16766 1 144 . 1 1 11 11 GLY HA3 H 1 3.893 0.020 . 2 . . . . 11 GLY HA3 . 16766 1 145 . 1 1 11 11 GLY C C 13 170.417 0.400 . 1 . . . . 11 GLY C . 16766 1 146 . 1 1 11 11 GLY CA C 13 47.618 0.400 . 1 . . . . 11 GLY CA . 16766 1 147 . 1 1 11 11 GLY N N 15 108.542 0.400 . 1 . . . . 11 GLY N . 16766 1 148 . 1 1 12 12 GLU H H 1 7.904 0.020 . 1 . . . . 12 GLU H . 16766 1 149 . 1 1 12 12 GLU HA H 1 4.172 0.020 . 1 . . . . 12 GLU HA . 16766 1 150 . 1 1 12 12 GLU HB2 H 1 2.389 0.020 . 2 . . . . 12 GLU HB2 . 16766 1 151 . 1 1 12 12 GLU HB3 H 1 2.118 0.020 . 2 . . . . 12 GLU HB3 . 16766 1 152 . 1 1 12 12 GLU HG2 H 1 2.559 0.020 . 2 . . . . 12 GLU HG2 . 16766 1 153 . 1 1 12 12 GLU HG3 H 1 2.282 0.020 . 2 . . . . 12 GLU HG3 . 16766 1 154 . 1 1 12 12 GLU C C 13 176.310 0.400 . 1 . . . . 12 GLU C . 16766 1 155 . 1 1 12 12 GLU CA C 13 60.050 0.400 . 1 . . . . 12 GLU CA . 16766 1 156 . 1 1 12 12 GLU CB C 13 30.739 0.400 . 1 . . . . 12 GLU CB . 16766 1 157 . 1 1 12 12 GLU CG C 13 37.536 0.400 . 1 . . . . 12 GLU CG . 16766 1 158 . 1 1 12 12 GLU N N 15 122.887 0.400 . 1 . . . . 12 GLU N . 16766 1 159 . 1 1 13 13 LEU H H 1 9.493 0.020 . 1 . . . . 13 LEU H . 16766 1 160 . 1 1 13 13 LEU HA H 1 4.092 0.020 . 1 . . . . 13 LEU HA . 16766 1 161 . 1 1 13 13 LEU HB2 H 1 1.392 0.020 . 2 . . . . 13 LEU HB2 . 16766 1 162 . 1 1 13 13 LEU HB3 H 1 2.084 0.020 . 2 . . . . 13 LEU HB3 . 16766 1 163 . 1 1 13 13 LEU HD11 H 1 0.768 0.020 . 2 . . . . 13 LEU HD1 . 16766 1 164 . 1 1 13 13 LEU HD12 H 1 0.768 0.020 . 2 . . . . 13 LEU HD1 . 16766 1 165 . 1 1 13 13 LEU HD13 H 1 0.768 0.020 . 2 . . . . 13 LEU HD1 . 16766 1 166 . 1 1 13 13 LEU HD21 H 1 0.848 0.020 . 2 . . . . 13 LEU HD2 . 16766 1 167 . 1 1 13 13 LEU HD22 H 1 0.848 0.020 . 2 . . . . 13 LEU HD2 . 16766 1 168 . 1 1 13 13 LEU HD23 H 1 0.848 0.020 . 2 . . . . 13 LEU HD2 . 16766 1 169 . 1 1 13 13 LEU HG H 1 2.015 0.020 . 1 . . . . 13 LEU HG . 16766 1 170 . 1 1 13 13 LEU C C 13 170.237 0.400 . 1 . . . . 13 LEU C . 16766 1 171 . 1 1 13 13 LEU CA C 13 57.653 0.400 . 1 . . . . 13 LEU CA . 16766 1 172 . 1 1 13 13 LEU CB C 13 43.539 0.400 . 1 . . . . 13 LEU CB . 16766 1 173 . 1 1 13 13 LEU CD1 C 13 27.348 0.400 . 1 . . . . 13 LEU CD1 . 16766 1 174 . 1 1 13 13 LEU CD2 C 13 24.416 0.400 . 1 . . . . 13 LEU CD2 . 16766 1 175 . 1 1 13 13 LEU CG C 13 26.798 0.400 . 1 . . . . 13 LEU CG . 16766 1 176 . 1 1 13 13 LEU N N 15 120.121 0.400 . 1 . . . . 13 LEU N . 16766 1 177 . 1 1 14 14 THR H H 1 8.442 0.020 . 1 . . . . 14 THR H . 16766 1 178 . 1 1 14 14 THR HA H 1 3.731 0.020 . 1 . . . . 14 THR HA . 16766 1 179 . 1 1 14 14 THR HB H 1 4.438 0.020 . 1 . . . . 14 THR HB . 16766 1 180 . 1 1 14 14 THR HG21 H 1 1.093 0.020 . 1 . . . . 14 THR HG2 . 16766 1 181 . 1 1 14 14 THR HG22 H 1 1.093 0.020 . 1 . . . . 14 THR HG2 . 16766 1 182 . 1 1 14 14 THR HG23 H 1 1.093 0.020 . 1 . . . . 14 THR HG2 . 16766 1 183 . 1 1 14 14 THR C C 13 179.205 0.400 . 1 . . . . 14 THR C . 16766 1 184 . 1 1 14 14 THR CA C 13 68.341 0.400 . 1 . . . . 14 THR CA . 16766 1 185 . 1 1 14 14 THR CB C 13 68.359 0.400 . 1 . . . . 14 THR CB . 16766 1 186 . 1 1 14 14 THR CG2 C 13 20.676 0.400 . 1 . . . . 14 THR CG2 . 16766 1 187 . 1 1 14 14 THR N N 15 117.225 0.400 . 1 . . . . 14 THR N . 16766 1 188 . 1 1 15 15 GLU H H 1 7.662 0.020 . 1 . . . . 15 GLU H . 16766 1 189 . 1 1 15 15 GLU HA H 1 3.973 0.020 . 1 . . . . 15 GLU HA . 16766 1 190 . 1 1 15 15 GLU HB2 H 1 2.164 0.020 . 2 . . . . 15 GLU HB2 . 16766 1 191 . 1 1 15 15 GLU HB3 H 1 2.164 0.020 . 2 . . . . 15 GLU HB3 . 16766 1 192 . 1 1 15 15 GLU HG2 H 1 2.384 0.020 . 2 . . . . 15 GLU HG2 . 16766 1 193 . 1 1 15 15 GLU HG3 H 1 2.170 0.020 . 2 . . . . 15 GLU HG3 . 16766 1 194 . 1 1 15 15 GLU C C 13 175.811 0.400 . 1 . . . . 15 GLU C . 16766 1 195 . 1 1 15 15 GLU CA C 13 59.547 0.400 . 1 . . . . 15 GLU CA . 16766 1 196 . 1 1 15 15 GLU CB C 13 29.201 0.400 . 1 . . . . 15 GLU CB . 16766 1 197 . 1 1 15 15 GLU CG C 13 35.986 0.400 . 1 . . . . 15 GLU CG . 16766 1 198 . 1 1 15 15 GLU N N 15 120.546 0.400 . 1 . . . . 15 GLU N . 16766 1 199 . 1 1 16 16 VAL H H 1 8.295 0.020 . 1 . . . . 16 VAL H . 16766 1 200 . 1 1 16 16 VAL HA H 1 3.946 0.020 . 1 . . . . 16 VAL HA . 16766 1 201 . 1 1 16 16 VAL HB H 1 2.357 0.020 . 1 . . . . 16 VAL HB . 16766 1 202 . 1 1 16 16 VAL HG11 H 1 1.040 0.020 . 2 . . . . 16 VAL HG1 . 16766 1 203 . 1 1 16 16 VAL HG12 H 1 1.040 0.020 . 2 . . . . 16 VAL HG1 . 16766 1 204 . 1 1 16 16 VAL HG13 H 1 1.040 0.020 . 2 . . . . 16 VAL HG1 . 16766 1 205 . 1 1 16 16 VAL HG21 H 1 1.194 0.020 . 2 . . . . 16 VAL HG2 . 16766 1 206 . 1 1 16 16 VAL HG22 H 1 1.194 0.020 . 2 . . . . 16 VAL HG2 . 16766 1 207 . 1 1 16 16 VAL HG23 H 1 1.194 0.020 . 2 . . . . 16 VAL HG2 . 16766 1 208 . 1 1 16 16 VAL C C 13 179.770 0.400 . 1 . . . . 16 VAL C . 16766 1 209 . 1 1 16 16 VAL CA C 13 66.504 0.400 . 1 . . . . 16 VAL CA . 16766 1 210 . 1 1 16 16 VAL CB C 13 31.755 0.400 . 1 . . . . 16 VAL CB . 16766 1 211 . 1 1 16 16 VAL CG1 C 13 21.766 0.400 . 1 . . . . 16 VAL CG1 . 16766 1 212 . 1 1 16 16 VAL CG2 C 13 24.097 0.400 . 1 . . . . 16 VAL CG2 . 16766 1 213 . 1 1 16 16 VAL N N 15 121.092 0.400 . 1 . . . . 16 VAL N . 16766 1 214 . 1 1 17 17 CYS H H 1 8.403 0.020 . 1 . . . . 17 CYS H . 16766 1 215 . 1 1 17 17 CYS HA H 1 4.202 0.020 . 1 . . . . 17 CYS HA . 16766 1 216 . 1 1 17 17 CYS HB2 H 1 3.268 0.020 . 2 . . . . 17 CYS HB2 . 16766 1 217 . 1 1 17 17 CYS HB3 H 1 3.088 0.020 . 2 . . . . 17 CYS HB3 . 16766 1 218 . 1 1 17 17 CYS C C 13 178.575 0.400 . 1 . . . . 17 CYS C . 16766 1 219 . 1 1 17 17 CYS CA C 13 65.106 0.400 . 1 . . . . 17 CYS CA . 16766 1 220 . 1 1 17 17 CYS CB C 13 26.491 0.400 . 1 . . . . 17 CYS CB . 16766 1 221 . 1 1 17 17 CYS N N 15 119.117 0.400 . 1 . . . . 17 CYS N . 16766 1 222 . 1 1 18 18 LYS H H 1 8.236 0.020 . 1 . . . . 18 LYS H . 16766 1 223 . 1 1 18 18 LYS HA H 1 3.886 0.020 . 1 . . . . 18 LYS HA . 16766 1 224 . 1 1 18 18 LYS HB2 H 1 1.844 0.020 . 2 . . . . 18 LYS HB2 . 16766 1 225 . 1 1 18 18 LYS HB3 H 1 1.731 0.020 . 2 . . . . 18 LYS HB3 . 16766 1 226 . 1 1 18 18 LYS HD2 H 1 1.678 0.020 . 2 . . . . 18 LYS HD2 . 16766 1 227 . 1 1 18 18 LYS HD3 H 1 1.678 0.020 . 2 . . . . 18 LYS HD3 . 16766 1 228 . 1 1 18 18 LYS HE2 H 1 2.920 0.020 . 2 . . . . 18 LYS HE2 . 16766 1 229 . 1 1 18 18 LYS HE3 H 1 2.920 0.020 . 2 . . . . 18 LYS HE3 . 16766 1 230 . 1 1 18 18 LYS HG2 H 1 1.393 0.020 . 2 . . . . 18 LYS HG2 . 16766 1 231 . 1 1 18 18 LYS HG3 H 1 1.393 0.020 . 2 . . . . 18 LYS HG3 . 16766 1 232 . 1 1 18 18 LYS C C 13 177.094 0.400 . 1 . . . . 18 LYS C . 16766 1 233 . 1 1 18 18 LYS CA C 13 60.569 0.400 . 1 . . . . 18 LYS CA . 16766 1 234 . 1 1 18 18 LYS CB C 13 32.361 0.400 . 1 . . . . 18 LYS CB . 16766 1 235 . 1 1 18 18 LYS CD C 13 29.687 0.400 . 1 . . . . 18 LYS CD . 16766 1 236 . 1 1 18 18 LYS N N 15 120.574 0.400 . 1 . . . . 18 LYS N . 16766 1 237 . 1 1 19 19 SER H H 1 8.161 0.020 . 1 . . . . 19 SER H . 16766 1 238 . 1 1 19 19 SER HA H 1 4.249 0.020 . 1 . . . . 19 SER HA . 16766 1 239 . 1 1 19 19 SER HB2 H 1 4.114 0.020 . 2 . . . . 19 SER HB2 . 16766 1 240 . 1 1 19 19 SER HB3 H 1 4.060 0.020 . 2 . . . . 19 SER HB3 . 16766 1 241 . 1 1 19 19 SER C C 13 180.006 0.400 . 1 . . . . 19 SER C . 16766 1 242 . 1 1 19 19 SER CA C 13 62.207 0.400 . 1 . . . . 19 SER CA . 16766 1 243 . 1 1 19 19 SER CB C 13 62.374 0.400 . 1 . . . . 19 SER CB . 16766 1 244 . 1 1 19 19 SER N N 15 117.786 0.400 . 1 . . . . 19 SER N . 16766 1 245 . 1 1 20 20 LEU H H 1 8.676 0.020 . 1 . . . . 20 LEU H . 16766 1 246 . 1 1 20 20 LEU HA H 1 4.244 0.020 . 1 . . . . 20 LEU HA . 16766 1 247 . 1 1 20 20 LEU HB2 H 1 2.064 0.020 . 2 . . . . 20 LEU HB2 . 16766 1 248 . 1 1 20 20 LEU HB3 H 1 1.377 0.020 . 2 . . . . 20 LEU HB3 . 16766 1 249 . 1 1 20 20 LEU HD11 H 1 1.044 0.020 . 2 . . . . 20 LEU HD1 . 16766 1 250 . 1 1 20 20 LEU HD12 H 1 1.044 0.020 . 2 . . . . 20 LEU HD1 . 16766 1 251 . 1 1 20 20 LEU HD13 H 1 1.044 0.020 . 2 . . . . 20 LEU HD1 . 16766 1 252 . 1 1 20 20 LEU HD21 H 1 1.189 0.020 . 2 . . . . 20 LEU HD2 . 16766 1 253 . 1 1 20 20 LEU HD22 H 1 1.189 0.020 . 2 . . . . 20 LEU HD2 . 16766 1 254 . 1 1 20 20 LEU HD23 H 1 1.189 0.020 . 2 . . . . 20 LEU HD2 . 16766 1 255 . 1 1 20 20 LEU HG H 1 2.043 0.020 . 1 . . . . 20 LEU HG . 16766 1 256 . 1 1 20 20 LEU C C 13 177.324 0.400 . 1 . . . . 20 LEU C . 16766 1 257 . 1 1 20 20 LEU CA C 13 57.770 0.400 . 1 . . . . 20 LEU CA . 16766 1 258 . 1 1 20 20 LEU CB C 13 42.588 0.400 . 1 . . . . 20 LEU CB . 16766 1 259 . 1 1 20 20 LEU CD1 C 13 26.423 0.400 . 1 . . . . 20 LEU CD1 . 16766 1 260 . 1 1 20 20 LEU CD2 C 13 23.317 0.400 . 1 . . . . 20 LEU CD2 . 16766 1 261 . 1 1 20 20 LEU CG C 13 26.876 0.400 . 1 . . . . 20 LEU CG . 16766 1 262 . 1 1 20 20 LEU N N 15 123.037 0.400 . 1 . . . . 20 LEU N . 16766 1 263 . 1 1 21 21 GLY H H 1 8.655 0.020 . 1 . . . . 21 GLY H . 16766 1 264 . 1 1 21 21 GLY HA2 H 1 3.765 0.020 . 2 . . . . 21 GLY HA2 . 16766 1 265 . 1 1 21 21 GLY HA3 H 1 3.722 0.020 . 2 . . . . 21 GLY HA3 . 16766 1 266 . 1 1 21 21 GLY C C 13 179.265 0.400 . 1 . . . . 21 GLY C . 16766 1 267 . 1 1 21 21 GLY CA C 13 47.892 0.400 . 1 . . . . 21 GLY CA . 16766 1 268 . 1 1 21 21 GLY N N 15 107.961 0.400 . 1 . . . . 21 GLY N . 16766 1 269 . 1 1 22 22 LYS H H 1 7.515 0.020 . 1 . . . . 22 LYS H . 16766 1 270 . 1 1 22 22 LYS HA H 1 4.172 0.020 . 1 . . . . 22 LYS HA . 16766 1 271 . 1 1 22 22 LYS HB2 H 1 2.029 0.020 . 2 . . . . 22 LYS HB2 . 16766 1 272 . 1 1 22 22 LYS HB3 H 1 2.029 0.020 . 2 . . . . 22 LYS HB3 . 16766 1 273 . 1 1 22 22 LYS HD2 H 1 1.735 0.020 . 2 . . . . 22 LYS HD2 . 16766 1 274 . 1 1 22 22 LYS HD3 H 1 1.735 0.020 . 2 . . . . 22 LYS HD3 . 16766 1 275 . 1 1 22 22 LYS HE2 H 1 2.984 0.020 . 2 . . . . 22 LYS HE2 . 16766 1 276 . 1 1 22 22 LYS HE3 H 1 2.984 0.020 . 2 . . . . 22 LYS HE3 . 16766 1 277 . 1 1 22 22 LYS HG2 H 1 1.632 0.020 . 2 . . . . 22 LYS HG2 . 16766 1 278 . 1 1 22 22 LYS HG3 H 1 1.487 0.020 . 2 . . . . 22 LYS HG3 . 16766 1 279 . 1 1 22 22 LYS C C 13 176.042 0.400 . 1 . . . . 22 LYS C . 16766 1 280 . 1 1 22 22 LYS CA C 13 59.270 0.400 . 1 . . . . 22 LYS CA . 16766 1 281 . 1 1 22 22 LYS CB C 13 32.349 0.400 . 1 . . . . 22 LYS CB . 16766 1 282 . 1 1 22 22 LYS CD C 13 29.242 0.400 . 1 . . . . 22 LYS CD . 16766 1 283 . 1 1 22 22 LYS CE C 13 42.052 0.400 . 1 . . . . 22 LYS CE . 16766 1 284 . 1 1 22 22 LYS CG C 13 25.304 0.400 . 1 . . . . 22 LYS CG . 16766 1 285 . 1 1 22 22 LYS N N 15 120.595 0.400 . 1 . . . . 22 LYS N . 16766 1 286 . 1 1 23 23 VAL H H 1 7.745 0.020 . 1 . . . . 23 VAL H . 16766 1 287 . 1 1 23 23 VAL HA H 1 3.626 0.020 . 1 . . . . 23 VAL HA . 16766 1 288 . 1 1 23 23 VAL HB H 1 2.086 0.020 . 1 . . . . 23 VAL HB . 16766 1 289 . 1 1 23 23 VAL HG11 H 1 1.031 0.020 . 2 . . . . 23 VAL HG1 . 16766 1 290 . 1 1 23 23 VAL HG12 H 1 1.031 0.020 . 2 . . . . 23 VAL HG1 . 16766 1 291 . 1 1 23 23 VAL HG13 H 1 1.031 0.020 . 2 . . . . 23 VAL HG1 . 16766 1 292 . 1 1 23 23 VAL HG21 H 1 0.420 0.020 . 2 . . . . 23 VAL HG2 . 16766 1 293 . 1 1 23 23 VAL HG22 H 1 0.420 0.020 . 2 . . . . 23 VAL HG2 . 16766 1 294 . 1 1 23 23 VAL HG23 H 1 0.420 0.020 . 2 . . . . 23 VAL HG2 . 16766 1 295 . 1 1 23 23 VAL C C 13 179.460 0.400 . 1 . . . . 23 VAL C . 16766 1 296 . 1 1 23 23 VAL CA C 13 66.174 0.400 . 1 . . . . 23 VAL CA . 16766 1 297 . 1 1 23 23 VAL CB C 13 32.133 0.400 . 1 . . . . 23 VAL CB . 16766 1 298 . 1 1 23 23 VAL CG1 C 13 22.372 0.400 . 1 . . . . 23 VAL CG1 . 16766 1 299 . 1 1 23 23 VAL CG2 C 13 20.671 0.400 . 1 . . . . 23 VAL CG2 . 16766 1 300 . 1 1 23 23 VAL N N 15 120.053 0.400 . 1 . . . . 23 VAL N . 16766 1 301 . 1 1 24 24 PHE H H 1 8.338 0.020 . 1 . . . . 24 PHE H . 16766 1 302 . 1 1 24 24 PHE HA H 1 4.518 0.020 . 1 . . . . 24 PHE HA . 16766 1 303 . 1 1 24 24 PHE HB2 H 1 3.445 0.020 . 2 . . . . 24 PHE HB2 . 16766 1 304 . 1 1 24 24 PHE HB3 H 1 2.827 0.020 . 2 . . . . 24 PHE HB3 . 16766 1 305 . 1 1 24 24 PHE HD1 H 1 7.565 0.020 . 1 . . . . 24 PHE HD1 . 16766 1 306 . 1 1 24 24 PHE HD2 H 1 7.565 0.020 . 1 . . . . 24 PHE HD2 . 16766 1 307 . 1 1 24 24 PHE HE1 H 1 7.120 0.020 . 1 . . . . 24 PHE HE1 . 16766 1 308 . 1 1 24 24 PHE HE2 H 1 7.120 0.020 . 1 . . . . 24 PHE HE2 . 16766 1 309 . 1 1 24 24 PHE HZ H 1 7.299 0.020 . 1 . . . . 24 PHE HZ . 16766 1 310 . 1 1 24 24 PHE C C 13 178.243 0.400 . 1 . . . . 24 PHE C . 16766 1 311 . 1 1 24 24 PHE CA C 13 59.714 0.400 . 1 . . . . 24 PHE CA . 16766 1 312 . 1 1 24 24 PHE CB C 13 39.570 0.400 . 1 . . . . 24 PHE CB . 16766 1 313 . 1 1 24 24 PHE CD1 C 13 131.815 0.400 . 1 . . . . 24 PHE CD1 . 16766 1 314 . 1 1 24 24 PHE CE1 C 13 130.499 0.400 . 1 . . . . 24 PHE CE1 . 16766 1 315 . 1 1 24 24 PHE CZ C 13 132.150 0.400 . 1 . . . . 24 PHE CZ . 16766 1 316 . 1 1 24 24 PHE N N 15 115.484 0.400 . 1 . . . . 24 PHE N . 16766 1 317 . 1 1 25 25 GLY H H 1 8.034 0.020 . 1 . . . . 25 GLY H . 16766 1 318 . 1 1 25 25 GLY HA2 H 1 3.975 0.020 . 2 . . . . 25 GLY HA2 . 16766 1 319 . 1 1 25 25 GLY HA3 H 1 3.975 0.020 . 2 . . . . 25 GLY HA3 . 16766 1 320 . 1 1 25 25 GLY C C 13 175.787 0.400 . 1 . . . . 25 GLY C . 16766 1 321 . 1 1 25 25 GLY CA C 13 47.102 0.400 . 1 . . . . 25 GLY CA . 16766 1 322 . 1 1 25 25 GLY N N 15 111.559 0.400 . 1 . . . . 25 GLY N . 16766 1 323 . 1 1 26 26 VAL H H 1 8.368 0.020 . 1 . . . . 26 VAL H . 16766 1 324 . 1 1 26 26 VAL HA H 1 4.649 0.020 . 1 . . . . 26 VAL HA . 16766 1 325 . 1 1 26 26 VAL HB H 1 2.107 0.020 . 1 . . . . 26 VAL HB . 16766 1 326 . 1 1 26 26 VAL HG11 H 1 0.692 0.020 . 2 . . . . 26 VAL HG1 . 16766 1 327 . 1 1 26 26 VAL HG12 H 1 0.692 0.020 . 2 . . . . 26 VAL HG1 . 16766 1 328 . 1 1 26 26 VAL HG13 H 1 0.692 0.020 . 2 . . . . 26 VAL HG1 . 16766 1 329 . 1 1 26 26 VAL HG21 H 1 0.870 0.020 . 2 . . . . 26 VAL HG2 . 16766 1 330 . 1 1 26 26 VAL HG22 H 1 0.870 0.020 . 2 . . . . 26 VAL HG2 . 16766 1 331 . 1 1 26 26 VAL HG23 H 1 0.870 0.020 . 2 . . . . 26 VAL HG2 . 16766 1 332 . 1 1 26 26 VAL C C 13 174.844 0.400 . 1 . . . . 26 VAL C . 16766 1 333 . 1 1 26 26 VAL CA C 13 58.669 0.400 . 1 . . . . 26 VAL CA . 16766 1 334 . 1 1 26 26 VAL CB C 13 36.119 0.400 . 1 . . . . 26 VAL CB . 16766 1 335 . 1 1 26 26 VAL CG1 C 13 18.823 0.400 . 1 . . . . 26 VAL CG1 . 16766 1 336 . 1 1 26 26 VAL CG2 C 13 21.546 0.400 . 1 . . . . 26 VAL CG2 . 16766 1 337 . 1 1 26 26 VAL N N 15 112.575 0.400 . 1 . . . . 26 VAL N . 16766 1 338 . 1 1 27 27 HIS H H 1 8.450 0.020 . 1 . . . . 27 HIS H . 16766 1 339 . 1 1 27 27 HIS HA H 1 4.544 0.020 . 1 . . . . 27 HIS HA . 16766 1 340 . 1 1 27 27 HIS HB2 H 1 3.220 0.020 . 2 . . . . 27 HIS HB2 . 16766 1 341 . 1 1 27 27 HIS HB3 H 1 3.220 0.020 . 2 . . . . 27 HIS HB3 . 16766 1 342 . 1 1 27 27 HIS HD2 H 1 7.103 0.020 . 1 . . . . 27 HIS HD2 . 16766 1 343 . 1 1 27 27 HIS HE1 H 1 7.973 0.020 . 1 . . . . 27 HIS HE1 . 16766 1 344 . 1 1 27 27 HIS C C 13 175.148 0.400 . 1 . . . . 27 HIS C . 16766 1 345 . 1 1 27 27 HIS CA C 13 58.058 0.400 . 1 . . . . 27 HIS CA . 16766 1 346 . 1 1 27 27 HIS CB C 13 30.436 0.400 . 1 . . . . 27 HIS CB . 16766 1 347 . 1 1 27 27 HIS CD2 C 13 122.030 0.400 . 1 . . . . 27 HIS CD2 . 16766 1 348 . 1 1 27 27 HIS CE1 C 13 138.307 0.400 . 1 . . . . 27 HIS CE1 . 16766 1 349 . 1 1 27 27 HIS N N 15 121.788 0.400 . 1 . . . . 27 HIS N . 16766 1 350 . 1 1 28 28 TYR H H 1 8.323 0.020 . 1 . . . . 28 TYR H . 16766 1 351 . 1 1 28 28 TYR HA H 1 4.020 0.020 . 1 . . . . 28 TYR HA . 16766 1 352 . 1 1 28 28 TYR HB2 H 1 2.958 0.020 . 2 . . . . 28 TYR HB2 . 16766 1 353 . 1 1 28 28 TYR HB3 H 1 2.889 0.020 . 2 . . . . 28 TYR HB3 . 16766 1 354 . 1 1 28 28 TYR HD1 H 1 7.013 0.020 . 1 . . . . 28 TYR HD1 . 16766 1 355 . 1 1 28 28 TYR HD2 H 1 7.013 0.020 . 1 . . . . 28 TYR HD2 . 16766 1 356 . 1 1 28 28 TYR HE1 H 1 6.756 0.020 . 1 . . . . 28 TYR HE1 . 16766 1 357 . 1 1 28 28 TYR HE2 H 1 6.756 0.020 . 1 . . . . 28 TYR HE2 . 16766 1 358 . 1 1 28 28 TYR C C 13 179.533 0.400 . 1 . . . . 28 TYR C . 16766 1 359 . 1 1 28 28 TYR CA C 13 60.821 0.400 . 1 . . . . 28 TYR CA . 16766 1 360 . 1 1 28 28 TYR CB C 13 37.455 0.400 . 1 . . . . 28 TYR CB . 16766 1 361 . 1 1 28 28 TYR CD1 C 13 133.725 0.400 . 1 . . . . 28 TYR CD1 . 16766 1 362 . 1 1 28 28 TYR CE1 C 13 118.284 0.400 . 1 . . . . 28 TYR CE1 . 16766 1 363 . 1 1 28 28 TYR N N 15 124.373 0.400 . 1 . . . . 28 TYR N . 16766 1 364 . 1 1 29 29 PHE H H 1 7.845 0.020 . 1 . . . . 29 PHE H . 16766 1 365 . 1 1 29 29 PHE HA H 1 4.739 0.020 . 1 . . . . 29 PHE HA . 16766 1 366 . 1 1 29 29 PHE HB2 H 1 3.135 0.020 . 2 . . . . 29 PHE HB2 . 16766 1 367 . 1 1 29 29 PHE HB3 H 1 2.881 0.020 . 2 . . . . 29 PHE HB3 . 16766 1 368 . 1 1 29 29 PHE HD1 H 1 7.296 0.020 . 1 . . . . 29 PHE HD1 . 16766 1 369 . 1 1 29 29 PHE HD2 H 1 7.296 0.020 . 1 . . . . 29 PHE HD2 . 16766 1 370 . 1 1 29 29 PHE HE1 H 1 6.844 0.020 . 1 . . . . 29 PHE HE1 . 16766 1 371 . 1 1 29 29 PHE HE2 H 1 6.844 0.020 . 1 . . . . 29 PHE HE2 . 16766 1 372 . 1 1 29 29 PHE CA C 13 56.325 0.400 . 1 . . . . 29 PHE CA . 16766 1 373 . 1 1 29 29 PHE CB C 13 37.034 0.400 . 1 . . . . 29 PHE CB . 16766 1 374 . 1 1 29 29 PHE CD1 C 13 132.314 0.400 . 1 . . . . 29 PHE CD1 . 16766 1 375 . 1 1 29 29 PHE CE1 C 13 130.473 0.400 . 1 . . . . 29 PHE CE1 . 16766 1 376 . 1 1 30 30 ASN H H 1 8.079 0.020 . 1 . . . . 30 ASN H . 16766 1 377 . 1 1 30 30 ASN HA H 1 4.569 0.020 . 1 . . . . 30 ASN HA . 16766 1 378 . 1 1 30 30 ASN HB2 H 1 2.878 0.020 . 2 . . . . 30 ASN HB2 . 16766 1 379 . 1 1 30 30 ASN HB3 H 1 2.687 0.020 . 2 . . . . 30 ASN HB3 . 16766 1 380 . 1 1 30 30 ASN HD21 H 1 7.450 0.020 . 2 . . . . 30 ASN HD21 . 16766 1 381 . 1 1 30 30 ASN HD22 H 1 7.238 0.020 . 2 . . . . 30 ASN HD22 . 16766 1 382 . 1 1 30 30 ASN C C 13 177.069 0.400 . 1 . . . . 30 ASN C . 16766 1 383 . 1 1 30 30 ASN CA C 13 54.391 0.400 . 1 . . . . 30 ASN CA . 16766 1 384 . 1 1 30 30 ASN CB C 13 38.563 0.400 . 1 . . . . 30 ASN CB . 16766 1 385 . 1 1 30 30 ASN N N 15 116.572 0.400 . 1 . . . . 30 ASN N . 16766 1 386 . 1 1 30 30 ASN ND2 N 15 112.526 0.400 . 1 . . . . 30 ASN ND2 . 16766 1 387 . 1 1 31 31 ILE H H 1 7.494 0.020 . 1 . . . . 31 ILE H . 16766 1 388 . 1 1 31 31 ILE HA H 1 3.376 0.020 . 1 . . . . 31 ILE HA . 16766 1 389 . 1 1 31 31 ILE HB H 1 2.013 0.020 . 1 . . . . 31 ILE HB . 16766 1 390 . 1 1 31 31 ILE HD11 H 1 0.216 0.020 . 1 . . . . 31 ILE HD1 . 16766 1 391 . 1 1 31 31 ILE HD12 H 1 0.216 0.020 . 1 . . . . 31 ILE HD1 . 16766 1 392 . 1 1 31 31 ILE HD13 H 1 0.216 0.020 . 1 . . . . 31 ILE HD1 . 16766 1 393 . 1 1 31 31 ILE HG12 H 1 1.186 0.020 . 2 . . . . 31 ILE HG12 . 16766 1 394 . 1 1 31 31 ILE HG13 H 1 0.671 0.020 . 2 . . . . 31 ILE HG13 . 16766 1 395 . 1 1 31 31 ILE HG21 H 1 -0.039 0.020 . 1 . . . . 31 ILE HG2 . 16766 1 396 . 1 1 31 31 ILE HG22 H 1 -0.039 0.020 . 1 . . . . 31 ILE HG2 . 16766 1 397 . 1 1 31 31 ILE HG23 H 1 -0.039 0.020 . 1 . . . . 31 ILE HG2 . 16766 1 398 . 1 1 31 31 ILE C C 13 174.932 0.400 . 1 . . . . 31 ILE C . 16766 1 399 . 1 1 31 31 ILE CA C 13 62.782 0.400 . 1 . . . . 31 ILE CA . 16766 1 400 . 1 1 31 31 ILE CB C 13 35.191 0.400 . 1 . . . . 31 ILE CB . 16766 1 401 . 1 1 31 31 ILE CD1 C 13 11.109 0.400 . 1 . . . . 31 ILE CD1 . 16766 1 402 . 1 1 31 31 ILE CG1 C 13 26.343 0.400 . 1 . . . . 31 ILE CG1 . 16766 1 403 . 1 1 31 31 ILE CG2 C 13 16.396 0.400 . 1 . . . . 31 ILE CG2 . 16766 1 404 . 1 1 31 31 ILE N N 15 122.859 0.400 . 1 . . . . 31 ILE N . 16766 1 405 . 1 1 32 32 PHE H H 1 7.097 0.020 . 1 . . . . 32 PHE H . 16766 1 406 . 1 1 32 32 PHE HA H 1 4.975 0.020 . 1 . . . . 32 PHE HA . 16766 1 407 . 1 1 32 32 PHE HB2 H 1 2.920 0.020 . 2 . . . . 32 PHE HB2 . 16766 1 408 . 1 1 32 32 PHE HB3 H 1 2.754 0.020 . 2 . . . . 32 PHE HB3 . 16766 1 409 . 1 1 32 32 PHE HD1 H 1 7.343 0.020 . 1 . . . . 32 PHE HD1 . 16766 1 410 . 1 1 32 32 PHE HD2 H 1 7.343 0.020 . 1 . . . . 32 PHE HD2 . 16766 1 411 . 1 1 32 32 PHE HE1 H 1 7.128 0.020 . 1 . . . . 32 PHE HE1 . 16766 1 412 . 1 1 32 32 PHE HE2 H 1 7.128 0.020 . 1 . . . . 32 PHE HE2 . 16766 1 413 . 1 1 32 32 PHE C C 13 173.704 0.400 . 1 . . . . 32 PHE C . 16766 1 414 . 1 1 32 32 PHE CA C 13 56.781 0.400 . 1 . . . . 32 PHE CA . 16766 1 415 . 1 1 32 32 PHE CB C 13 43.825 0.400 . 1 . . . . 32 PHE CB . 16766 1 416 . 1 1 32 32 PHE CD1 C 13 133.107 0.400 . 1 . . . . 32 PHE CD1 . 16766 1 417 . 1 1 32 32 PHE CE1 C 13 130.468 0.400 . 1 . . . . 32 PHE CE1 . 16766 1 418 . 1 1 32 32 PHE N N 15 111.958 0.400 . 1 . . . . 32 PHE N . 16766 1 419 . 1 1 33 33 ASN H H 1 8.644 0.020 . 1 . . . . 33 ASN H . 16766 1 420 . 1 1 33 33 ASN HA H 1 4.620 0.020 . 1 . . . . 33 ASN HA . 16766 1 421 . 1 1 33 33 ASN HB2 H 1 3.199 0.020 . 2 . . . . 33 ASN HB2 . 16766 1 422 . 1 1 33 33 ASN HB3 H 1 2.905 0.020 . 2 . . . . 33 ASN HB3 . 16766 1 423 . 1 1 33 33 ASN HD21 H 1 7.645 0.020 . 2 . . . . 33 ASN HD21 . 16766 1 424 . 1 1 33 33 ASN HD22 H 1 6.908 0.020 . 2 . . . . 33 ASN HD22 . 16766 1 425 . 1 1 33 33 ASN C C 13 173.330 0.400 . 1 . . . . 33 ASN C . 16766 1 426 . 1 1 33 33 ASN CA C 13 51.753 0.400 . 1 . . . . 33 ASN CA . 16766 1 427 . 1 1 33 33 ASN CB C 13 38.313 0.400 . 1 . . . . 33 ASN CB . 16766 1 428 . 1 1 33 33 ASN N N 15 116.815 0.400 . 1 . . . . 33 ASN N . 16766 1 429 . 1 1 33 33 ASN ND2 N 15 112.495 0.400 . 1 . . . . 33 ASN ND2 . 16766 1 430 . 1 1 34 34 THR H H 1 7.935 0.020 . 1 . . . . 34 THR H . 16766 1 431 . 1 1 34 34 THR HA H 1 3.867 0.020 . 1 . . . . 34 THR HA . 16766 1 432 . 1 1 34 34 THR HB H 1 4.058 0.020 . 1 . . . . 34 THR HB . 16766 1 433 . 1 1 34 34 THR HG21 H 1 1.284 0.020 . 1 . . . . 34 THR HG2 . 16766 1 434 . 1 1 34 34 THR HG22 H 1 1.284 0.020 . 1 . . . . 34 THR HG2 . 16766 1 435 . 1 1 34 34 THR HG23 H 1 1.284 0.020 . 1 . . . . 34 THR HG2 . 16766 1 436 . 1 1 34 34 THR C C 13 175.194 0.400 . 1 . . . . 34 THR C . 16766 1 437 . 1 1 34 34 THR CA C 13 66.897 0.400 . 1 . . . . 34 THR CA . 16766 1 438 . 1 1 34 34 THR CB C 13 68.486 0.400 . 1 . . . . 34 THR CB . 16766 1 439 . 1 1 34 34 THR CG2 C 13 22.422 0.400 . 1 . . . . 34 THR CG2 . 16766 1 440 . 1 1 34 34 THR N N 15 111.599 0.400 . 1 . . . . 34 THR N . 16766 1 441 . 1 1 35 35 VAL H H 1 7.778 0.020 . 1 . . . . 35 VAL H . 16766 1 442 . 1 1 35 35 VAL HA H 1 3.683 0.020 . 1 . . . . 35 VAL HA . 16766 1 443 . 1 1 35 35 VAL HB H 1 2.091 0.020 . 1 . . . . 35 VAL HB . 16766 1 444 . 1 1 35 35 VAL HG11 H 1 0.947 0.020 . 2 . . . . 35 VAL HG1 . 16766 1 445 . 1 1 35 35 VAL HG12 H 1 0.947 0.020 . 2 . . . . 35 VAL HG1 . 16766 1 446 . 1 1 35 35 VAL HG13 H 1 0.947 0.020 . 2 . . . . 35 VAL HG1 . 16766 1 447 . 1 1 35 35 VAL HG21 H 1 0.994 0.020 . 2 . . . . 35 VAL HG2 . 16766 1 448 . 1 1 35 35 VAL HG22 H 1 0.994 0.020 . 2 . . . . 35 VAL HG2 . 16766 1 449 . 1 1 35 35 VAL HG23 H 1 0.994 0.020 . 2 . . . . 35 VAL HG2 . 16766 1 450 . 1 1 35 35 VAL C C 13 176.453 0.400 . 1 . . . . 35 VAL C . 16766 1 451 . 1 1 35 35 VAL CA C 13 66.359 0.400 . 1 . . . . 35 VAL CA . 16766 1 452 . 1 1 35 35 VAL CB C 13 31.400 0.400 . 1 . . . . 35 VAL CB . 16766 1 453 . 1 1 35 35 VAL CG1 C 13 21.105 0.400 . 1 . . . . 35 VAL CG1 . 16766 1 454 . 1 1 35 35 VAL CG2 C 13 22.368 0.400 . 1 . . . . 35 VAL CG2 . 16766 1 455 . 1 1 35 35 VAL N N 15 121.704 0.400 . 1 . . . . 35 VAL N . 16766 1 456 . 1 1 36 36 THR H H 1 8.183 0.020 . 1 . . . . 36 THR H . 16766 1 457 . 1 1 36 36 THR HA H 1 3.810 0.020 . 1 . . . . 36 THR HA . 16766 1 458 . 1 1 36 36 THR HB H 1 4.150 0.020 . 1 . . . . 36 THR HB . 16766 1 459 . 1 1 36 36 THR HG21 H 1 1.137 0.020 . 1 . . . . 36 THR HG2 . 16766 1 460 . 1 1 36 36 THR HG22 H 1 1.137 0.020 . 1 . . . . 36 THR HG2 . 16766 1 461 . 1 1 36 36 THR HG23 H 1 1.137 0.020 . 1 . . . . 36 THR HG2 . 16766 1 462 . 1 1 36 36 THR C C 13 178.073 0.400 . 1 . . . . 36 THR C . 16766 1 463 . 1 1 36 36 THR CA C 13 67.653 0.400 . 1 . . . . 36 THR CA . 16766 1 464 . 1 1 36 36 THR CB C 13 68.690 0.400 . 1 . . . . 36 THR CB . 16766 1 465 . 1 1 36 36 THR CG2 C 13 23.010 0.400 . 1 . . . . 36 THR CG2 . 16766 1 466 . 1 1 36 36 THR N N 15 118.592 0.400 . 1 . . . . 36 THR N . 16766 1 467 . 1 1 37 37 LEU H H 1 8.741 0.020 . 1 . . . . 37 LEU H . 16766 1 468 . 1 1 37 37 LEU HA H 1 3.751 0.020 . 1 . . . . 37 LEU HA . 16766 1 469 . 1 1 37 37 LEU HB2 H 1 1.946 0.020 . 2 . . . . 37 LEU HB2 . 16766 1 470 . 1 1 37 37 LEU HB3 H 1 1.235 0.020 . 2 . . . . 37 LEU HB3 . 16766 1 471 . 1 1 37 37 LEU HD11 H 1 1.051 0.020 . 2 . . . . 37 LEU HD1 . 16766 1 472 . 1 1 37 37 LEU HD12 H 1 1.051 0.020 . 2 . . . . 37 LEU HD1 . 16766 1 473 . 1 1 37 37 LEU HD13 H 1 1.051 0.020 . 2 . . . . 37 LEU HD1 . 16766 1 474 . 1 1 37 37 LEU HD21 H 1 0.858 0.020 . 2 . . . . 37 LEU HD2 . 16766 1 475 . 1 1 37 37 LEU HD22 H 1 0.858 0.020 . 2 . . . . 37 LEU HD2 . 16766 1 476 . 1 1 37 37 LEU HD23 H 1 0.858 0.020 . 2 . . . . 37 LEU HD2 . 16766 1 477 . 1 1 37 37 LEU HG H 1 1.767 0.020 . 1 . . . . 37 LEU HG . 16766 1 478 . 1 1 37 37 LEU C C 13 176.143 0.400 . 1 . . . . 37 LEU C . 16766 1 479 . 1 1 37 37 LEU CA C 13 58.769 0.400 . 1 . . . . 37 LEU CA . 16766 1 480 . 1 1 37 37 LEU CB C 13 42.345 0.400 . 1 . . . . 37 LEU CB . 16766 1 481 . 1 1 37 37 LEU CD1 C 13 25.862 0.400 . 1 . . . . 37 LEU CD1 . 16766 1 482 . 1 1 37 37 LEU CD2 C 13 24.512 0.400 . 1 . . . . 37 LEU CD2 . 16766 1 483 . 1 1 37 37 LEU CG C 13 27.029 0.400 . 1 . . . . 37 LEU CG . 16766 1 484 . 1 1 37 37 LEU N N 15 120.860 0.400 . 1 . . . . 37 LEU N . 16766 1 485 . 1 1 38 38 LYS H H 1 7.794 0.020 . 1 . . . . 38 LYS H . 16766 1 486 . 1 1 38 38 LYS HA H 1 3.881 0.020 . 1 . . . . 38 LYS HA . 16766 1 487 . 1 1 38 38 LYS HB2 H 1 1.992 0.020 . 2 . . . . 38 LYS HB2 . 16766 1 488 . 1 1 38 38 LYS HB3 H 1 1.919 0.020 . 2 . . . . 38 LYS HB3 . 16766 1 489 . 1 1 38 38 LYS HD2 H 1 1.665 0.020 . 2 . . . . 38 LYS HD2 . 16766 1 490 . 1 1 38 38 LYS HD3 H 1 1.665 0.020 . 2 . . . . 38 LYS HD3 . 16766 1 491 . 1 1 38 38 LYS HE2 H 1 2.928 0.020 . 2 . . . . 38 LYS HE2 . 16766 1 492 . 1 1 38 38 LYS HE3 H 1 2.928 0.020 . 2 . . . . 38 LYS HE3 . 16766 1 493 . 1 1 38 38 LYS HG2 H 1 1.531 0.020 . 2 . . . . 38 LYS HG2 . 16766 1 494 . 1 1 38 38 LYS HG3 H 1 1.393 0.020 . 2 . . . . 38 LYS HG3 . 16766 1 495 . 1 1 38 38 LYS C C 13 177.977 0.400 . 1 . . . . 38 LYS C . 16766 1 496 . 1 1 38 38 LYS CA C 13 60.423 0.400 . 1 . . . . 38 LYS CA . 16766 1 497 . 1 1 38 38 LYS CB C 13 32.196 0.400 . 1 . . . . 38 LYS CB . 16766 1 498 . 1 1 38 38 LYS CD C 13 29.541 0.400 . 1 . . . . 38 LYS CD . 16766 1 499 . 1 1 38 38 LYS CE C 13 41.962 0.400 . 1 . . . . 38 LYS CE . 16766 1 500 . 1 1 38 38 LYS CG C 13 25.639 0.400 . 1 . . . . 38 LYS CG . 16766 1 501 . 1 1 38 38 LYS N N 15 117.707 0.400 . 1 . . . . 38 LYS N . 16766 1 502 . 1 1 39 39 LYS H H 1 7.678 0.020 . 1 . . . . 39 LYS H . 16766 1 503 . 1 1 39 39 LYS HA H 1 4.061 0.020 . 1 . . . . 39 LYS HA . 16766 1 504 . 1 1 39 39 LYS HB2 H 1 1.989 0.020 . 2 . . . . 39 LYS HB2 . 16766 1 505 . 1 1 39 39 LYS HB3 H 1 1.820 0.020 . 2 . . . . 39 LYS HB3 . 16766 1 506 . 1 1 39 39 LYS HD2 H 1 1.765 0.020 . 2 . . . . 39 LYS HD2 . 16766 1 507 . 1 1 39 39 LYS HD3 H 1 1.765 0.020 . 2 . . . . 39 LYS HD3 . 16766 1 508 . 1 1 39 39 LYS HE2 H 1 2.935 0.020 . 2 . . . . 39 LYS HE2 . 16766 1 509 . 1 1 39 39 LYS HE3 H 1 2.935 0.020 . 2 . . . . 39 LYS HE3 . 16766 1 510 . 1 1 39 39 LYS HG2 H 1 1.685 0.020 . 2 . . . . 39 LYS HG2 . 16766 1 511 . 1 1 39 39 LYS HG3 H 1 1.542 0.020 . 2 . . . . 39 LYS HG3 . 16766 1 512 . 1 1 39 39 LYS C C 13 178.417 0.400 . 1 . . . . 39 LYS C . 16766 1 513 . 1 1 39 39 LYS CA C 13 59.308 0.400 . 1 . . . . 39 LYS CA . 16766 1 514 . 1 1 39 39 LYS CB C 13 33.316 0.400 . 1 . . . . 39 LYS CB . 16766 1 515 . 1 1 39 39 LYS CG C 13 25.956 0.400 . 1 . . . . 39 LYS CG . 16766 1 516 . 1 1 39 39 LYS N N 15 118.297 0.400 . 1 . . . . 39 LYS N . 16766 1 517 . 1 1 40 40 LEU H H 1 8.742 0.020 . 1 . . . . 40 LEU H . 16766 1 518 . 1 1 40 40 LEU HA H 1 3.774 0.020 . 1 . . . . 40 LEU HA . 16766 1 519 . 1 1 40 40 LEU HB2 H 1 2.008 0.020 . 2 . . . . 40 LEU HB2 . 16766 1 520 . 1 1 40 40 LEU HB3 H 1 0.990 0.020 . 2 . . . . 40 LEU HB3 . 16766 1 521 . 1 1 40 40 LEU HD11 H 1 0.093 0.020 . 2 . . . . 40 LEU HD1 . 16766 1 522 . 1 1 40 40 LEU HD12 H 1 0.093 0.020 . 2 . . . . 40 LEU HD1 . 16766 1 523 . 1 1 40 40 LEU HD13 H 1 0.093 0.020 . 2 . . . . 40 LEU HD1 . 16766 1 524 . 1 1 40 40 LEU HD21 H 1 0.580 0.020 . 2 . . . . 40 LEU HD2 . 16766 1 525 . 1 1 40 40 LEU HD22 H 1 0.580 0.020 . 2 . . . . 40 LEU HD2 . 16766 1 526 . 1 1 40 40 LEU HD23 H 1 0.580 0.020 . 2 . . . . 40 LEU HD2 . 16766 1 527 . 1 1 40 40 LEU HG H 1 1.478 0.020 . 1 . . . . 40 LEU HG . 16766 1 528 . 1 1 40 40 LEU C C 13 170.545 0.400 . 1 . . . . 40 LEU C . 16766 1 529 . 1 1 40 40 LEU CA C 13 58.209 0.400 . 1 . . . . 40 LEU CA . 16766 1 530 . 1 1 40 40 LEU CB C 13 42.937 0.400 . 1 . . . . 40 LEU CB . 16766 1 531 . 1 1 40 40 LEU CD1 C 13 25.233 0.400 . 1 . . . . 40 LEU CD1 . 16766 1 532 . 1 1 40 40 LEU CD2 C 13 25.142 0.400 . 1 . . . . 40 LEU CD2 . 16766 1 533 . 1 1 40 40 LEU CG C 13 26.820 0.400 . 1 . . . . 40 LEU CG . 16766 1 534 . 1 1 40 40 LEU N N 15 122.059 0.400 . 1 . . . . 40 LEU N . 16766 1 535 . 1 1 41 41 ALA H H 1 8.198 0.020 . 1 . . . . 41 ALA H . 16766 1 536 . 1 1 41 41 ALA HA H 1 3.968 0.020 . 1 . . . . 41 ALA HA . 16766 1 537 . 1 1 41 41 ALA HB1 H 1 1.418 0.020 . 1 . . . . 41 ALA HB . 16766 1 538 . 1 1 41 41 ALA HB2 H 1 1.418 0.020 . 1 . . . . 41 ALA HB . 16766 1 539 . 1 1 41 41 ALA HB3 H 1 1.418 0.020 . 1 . . . . 41 ALA HB . 16766 1 540 . 1 1 41 41 ALA C C 13 179.239 0.400 . 1 . . . . 41 ALA C . 16766 1 541 . 1 1 41 41 ALA CA C 13 55.283 0.400 . 1 . . . . 41 ALA CA . 16766 1 542 . 1 1 41 41 ALA CB C 13 18.517 0.400 . 1 . . . . 41 ALA CB . 16766 1 543 . 1 1 41 41 ALA N N 15 121.846 0.400 . 1 . . . . 41 ALA N . 16766 1 544 . 1 1 42 42 GLU H H 1 8.161 0.020 . 1 . . . . 42 GLU H . 16766 1 545 . 1 1 42 42 GLU HA H 1 3.937 0.020 . 1 . . . . 42 GLU HA . 16766 1 546 . 1 1 42 42 GLU HB2 H 1 2.074 0.020 . 2 . . . . 42 GLU HB2 . 16766 1 547 . 1 1 42 42 GLU HB3 H 1 1.970 0.020 . 2 . . . . 42 GLU HB3 . 16766 1 548 . 1 1 42 42 GLU HG2 H 1 2.441 0.020 . 2 . . . . 42 GLU HG2 . 16766 1 549 . 1 1 42 42 GLU HG3 H 1 2.295 0.020 . 2 . . . . 42 GLU HG3 . 16766 1 550 . 1 1 42 42 GLU C C 13 177.482 0.400 . 1 . . . . 42 GLU C . 16766 1 551 . 1 1 42 42 GLU CA C 13 58.477 0.400 . 1 . . . . 42 GLU CA . 16766 1 552 . 1 1 42 42 GLU CB C 13 29.994 0.400 . 1 . . . . 42 GLU CB . 16766 1 553 . 1 1 42 42 GLU CG C 13 36.892 0.400 . 1 . . . . 42 GLU CG . 16766 1 554 . 1 1 42 42 GLU N N 15 112.830 0.400 . 1 . . . . 42 GLU N . 16766 1 555 . 1 1 43 43 SER H H 1 7.599 0.020 . 1 . . . . 43 SER H . 16766 1 556 . 1 1 43 43 SER HA H 1 4.061 0.020 . 1 . . . . 43 SER HA . 16766 1 557 . 1 1 43 43 SER HB2 H 1 3.931 0.020 . 2 . . . . 43 SER HB2 . 16766 1 558 . 1 1 43 43 SER HB3 H 1 3.821 0.020 . 2 . . . . 43 SER HB3 . 16766 1 559 . 1 1 43 43 SER C C 13 179.077 0.400 . 1 . . . . 43 SER C . 16766 1 560 . 1 1 43 43 SER CA C 13 61.320 0.400 . 1 . . . . 43 SER CA . 16766 1 561 . 1 1 43 43 SER CB C 13 63.356 0.400 . 1 . . . . 43 SER CB . 16766 1 562 . 1 1 43 43 SER N N 15 113.986 0.400 . 1 . . . . 43 SER N . 16766 1 563 . 1 1 44 44 LEU H H 1 7.382 0.020 . 1 . . . . 44 LEU H . 16766 1 564 . 1 1 44 44 LEU HA H 1 3.628 0.020 . 1 . . . . 44 LEU HA . 16766 1 565 . 1 1 44 44 LEU HB2 H 1 1.897 0.020 . 2 . . . . 44 LEU HB2 . 16766 1 566 . 1 1 44 44 LEU HB3 H 1 1.705 0.020 . 2 . . . . 44 LEU HB3 . 16766 1 567 . 1 1 44 44 LEU HD11 H 1 0.835 0.020 . 2 . . . . 44 LEU HD1 . 16766 1 568 . 1 1 44 44 LEU HD12 H 1 0.835 0.020 . 2 . . . . 44 LEU HD1 . 16766 1 569 . 1 1 44 44 LEU HD13 H 1 0.835 0.020 . 2 . . . . 44 LEU HD1 . 16766 1 570 . 1 1 44 44 LEU HD21 H 1 0.703 0.020 . 2 . . . . 44 LEU HD2 . 16766 1 571 . 1 1 44 44 LEU HD22 H 1 0.703 0.020 . 2 . . . . 44 LEU HD2 . 16766 1 572 . 1 1 44 44 LEU HD23 H 1 0.703 0.020 . 2 . . . . 44 LEU HD2 . 16766 1 573 . 1 1 44 44 LEU HG H 1 1.862 0.020 . 1 . . . . 44 LEU HG . 16766 1 574 . 1 1 44 44 LEU C C 13 174.743 0.400 . 1 . . . . 44 LEU C . 16766 1 575 . 1 1 44 44 LEU CA C 13 56.251 0.400 . 1 . . . . 44 LEU CA . 16766 1 576 . 1 1 44 44 LEU CB C 13 40.147 0.400 . 1 . . . . 44 LEU CB . 16766 1 577 . 1 1 44 44 LEU CD1 C 13 27.032 0.400 . 1 . . . . 44 LEU CD1 . 16766 1 578 . 1 1 44 44 LEU CD2 C 13 23.590 0.400 . 1 . . . . 44 LEU CD2 . 16766 1 579 . 1 1 44 44 LEU CG C 13 25.630 0.400 . 1 . . . . 44 LEU CG . 16766 1 580 . 1 1 44 44 LEU N N 15 114.979 0.400 . 1 . . . . 44 LEU N . 16766 1 581 . 1 1 45 45 SER H H 1 8.075 0.020 . 1 . . . . 45 SER H . 16766 1 582 . 1 1 45 45 SER HA H 1 4.591 0.020 . 1 . . . . 45 SER HA . 16766 1 583 . 1 1 45 45 SER HB2 H 1 3.652 0.020 . 2 . . . . 45 SER HB2 . 16766 1 584 . 1 1 45 45 SER HB3 H 1 3.482 0.020 . 2 . . . . 45 SER HB3 . 16766 1 585 . 1 1 45 45 SER C C 13 174.519 0.400 . 1 . . . . 45 SER C . 16766 1 586 . 1 1 45 45 SER CA C 13 57.183 0.400 . 1 . . . . 45 SER CA . 16766 1 587 . 1 1 45 45 SER CB C 13 64.994 0.400 . 1 . . . . 45 SER CB . 16766 1 588 . 1 1 45 45 SER N N 15 113.913 0.400 . 1 . . . . 45 SER N . 16766 1 589 . 1 1 46 46 SER H H 1 8.327 0.020 . 1 . . . . 46 SER H . 16766 1 590 . 1 1 46 46 SER HA H 1 4.522 0.020 . 1 . . . . 46 SER HA . 16766 1 591 . 1 1 46 46 SER HB2 H 1 4.261 0.020 . 2 . . . . 46 SER HB2 . 16766 1 592 . 1 1 46 46 SER HB3 H 1 3.328 0.020 . 2 . . . . 46 SER HB3 . 16766 1 593 . 1 1 46 46 SER C C 13 172.482 0.400 . 1 . . . . 46 SER C . 16766 1 594 . 1 1 46 46 SER CA C 13 56.177 0.400 . 1 . . . . 46 SER CA . 16766 1 595 . 1 1 46 46 SER CB C 13 64.253 0.400 . 1 . . . . 46 SER CB . 16766 1 596 . 1 1 46 46 SER N N 15 115.610 0.400 . 1 . . . . 46 SER N . 16766 1 597 . 1 1 47 47 ASP H H 1 8.190 0.020 . 1 . . . . 47 ASP H . 16766 1 598 . 1 1 47 47 ASP HA H 1 4.907 0.020 . 1 . . . . 47 ASP HA . 16766 1 599 . 1 1 47 47 ASP HB2 H 1 2.873 0.020 . 2 . . . . 47 ASP HB2 . 16766 1 600 . 1 1 47 47 ASP HB3 H 1 2.563 0.020 . 2 . . . . 47 ASP HB3 . 16766 1 601 . 1 1 47 47 ASP C C 13 172.737 0.400 . 1 . . . . 47 ASP C . 16766 1 602 . 1 1 47 47 ASP CA C 13 50.910 0.400 . 1 . . . . 47 ASP CA . 16766 1 603 . 1 1 47 47 ASP CB C 13 42.193 0.400 . 1 . . . . 47 ASP CB . 16766 1 604 . 1 1 47 47 ASP N N 15 123.701 0.400 . 1 . . . . 47 ASP N . 16766 1 605 . 1 1 48 48 PRO HA H 1 3.944 0.020 . 1 . . . . 48 PRO HA . 16766 1 606 . 1 1 48 48 PRO HB2 H 1 2.266 0.020 . 2 . . . . 48 PRO HB2 . 16766 1 607 . 1 1 48 48 PRO HB3 H 1 2.041 0.020 . 2 . . . . 48 PRO HB3 . 16766 1 608 . 1 1 48 48 PRO HD2 H 1 4.320 0.020 . 2 . . . . 48 PRO HD2 . 16766 1 609 . 1 1 48 48 PRO HD3 H 1 4.016 0.020 . 2 . . . . 48 PRO HD3 . 16766 1 610 . 1 1 48 48 PRO HG2 H 1 2.182 0.020 . 2 . . . . 48 PRO HG2 . 16766 1 611 . 1 1 48 48 PRO HG3 H 1 1.914 0.020 . 2 . . . . 48 PRO HG3 . 16766 1 612 . 1 1 48 48 PRO CA C 13 65.844 0.400 . 1 . . . . 48 PRO CA . 16766 1 613 . 1 1 48 48 PRO CB C 13 32.480 0.400 . 1 . . . . 48 PRO CB . 16766 1 614 . 1 1 48 48 PRO CD C 13 51.383 0.400 . 1 . . . . 48 PRO CD . 16766 1 615 . 1 1 48 48 PRO CG C 13 27.820 0.400 . 1 . . . . 48 PRO CG . 16766 1 616 . 1 1 49 49 GLU H H 1 8.189 0.020 . 1 . . . . 49 GLU H . 16766 1 617 . 1 1 49 49 GLU HA H 1 3.929 0.020 . 1 . . . . 49 GLU HA . 16766 1 618 . 1 1 49 49 GLU HB2 H 1 1.992 0.020 . 2 . . . . 49 GLU HB2 . 16766 1 619 . 1 1 49 49 GLU HB3 H 1 1.992 0.020 . 2 . . . . 49 GLU HB3 . 16766 1 620 . 1 1 49 49 GLU HG2 H 1 2.341 0.020 . 2 . . . . 49 GLU HG2 . 16766 1 621 . 1 1 49 49 GLU HG3 H 1 2.192 0.020 . 2 . . . . 49 GLU HG3 . 16766 1 622 . 1 1 49 49 GLU C C 13 176.620 0.400 . 1 . . . . 49 GLU C . 16766 1 623 . 1 1 49 49 GLU CA C 13 59.360 0.400 . 1 . . . . 49 GLU CA . 16766 1 624 . 1 1 49 49 GLU CB C 13 29.584 0.400 . 1 . . . . 49 GLU CB . 16766 1 625 . 1 1 49 49 GLU CG C 13 36.952 0.400 . 1 . . . . 49 GLU CG . 16766 1 626 . 1 1 49 49 GLU N N 15 113.851 0.400 . 1 . . . . 49 GLU N . 16766 1 627 . 1 1 50 50 VAL H H 1 7.271 0.020 . 1 . . . . 50 VAL H . 16766 1 628 . 1 1 50 50 VAL HA H 1 3.647 0.020 . 1 . . . . 50 VAL HA . 16766 1 629 . 1 1 50 50 VAL HB H 1 2.398 0.020 . 1 . . . . 50 VAL HB . 16766 1 630 . 1 1 50 50 VAL HG11 H 1 0.967 0.020 . 2 . . . . 50 VAL HG1 . 16766 1 631 . 1 1 50 50 VAL HG12 H 1 0.967 0.020 . 2 . . . . 50 VAL HG1 . 16766 1 632 . 1 1 50 50 VAL HG13 H 1 0.967 0.020 . 2 . . . . 50 VAL HG1 . 16766 1 633 . 1 1 50 50 VAL HG21 H 1 0.891 0.020 . 2 . . . . 50 VAL HG2 . 16766 1 634 . 1 1 50 50 VAL HG22 H 1 0.891 0.020 . 2 . . . . 50 VAL HG2 . 16766 1 635 . 1 1 50 50 VAL HG23 H 1 0.891 0.020 . 2 . . . . 50 VAL HG2 . 16766 1 636 . 1 1 50 50 VAL C C 13 179.674 0.400 . 1 . . . . 50 VAL C . 16766 1 637 . 1 1 50 50 VAL CA C 13 65.362 0.400 . 1 . . . . 50 VAL CA . 16766 1 638 . 1 1 50 50 VAL CB C 13 32.310 0.400 . 1 . . . . 50 VAL CB . 16766 1 639 . 1 1 50 50 VAL CG1 C 13 22.399 0.400 . 1 . . . . 50 VAL CG1 . 16766 1 640 . 1 1 50 50 VAL CG2 C 13 21.005 0.400 . 1 . . . . 50 VAL CG2 . 16766 1 641 . 1 1 50 50 VAL N N 15 119.918 0.400 . 1 . . . . 50 VAL N . 16766 1 642 . 1 1 51 51 LEU H H 1 8.002 0.020 . 1 . . . . 51 LEU H . 16766 1 643 . 1 1 51 51 LEU HA H 1 3.864 0.020 . 1 . . . . 51 LEU HA . 16766 1 644 . 1 1 51 51 LEU HB2 H 1 1.717 0.020 . 2 . . . . 51 LEU HB2 . 16766 1 645 . 1 1 51 51 LEU HB3 H 1 1.144 0.020 . 2 . . . . 51 LEU HB3 . 16766 1 646 . 1 1 51 51 LEU HD11 H 1 0.568 0.020 . 2 . . . . 51 LEU HD1 . 16766 1 647 . 1 1 51 51 LEU HD12 H 1 0.568 0.020 . 2 . . . . 51 LEU HD1 . 16766 1 648 . 1 1 51 51 LEU HD13 H 1 0.568 0.020 . 2 . . . . 51 LEU HD1 . 16766 1 649 . 1 1 51 51 LEU HD21 H 1 0.738 0.020 . 2 . . . . 51 LEU HD2 . 16766 1 650 . 1 1 51 51 LEU HD22 H 1 0.738 0.020 . 2 . . . . 51 LEU HD2 . 16766 1 651 . 1 1 51 51 LEU HD23 H 1 0.738 0.020 . 2 . . . . 51 LEU HD2 . 16766 1 652 . 1 1 51 51 LEU HG H 1 1.660 0.020 . 1 . . . . 51 LEU HG . 16766 1 653 . 1 1 51 51 LEU C C 13 179.363 0.400 . 1 . . . . 51 LEU C . 16766 1 654 . 1 1 51 51 LEU CA C 13 57.956 0.400 . 1 . . . . 51 LEU CA . 16766 1 655 . 1 1 51 51 LEU CB C 13 41.462 0.400 . 1 . . . . 51 LEU CB . 16766 1 656 . 1 1 51 51 LEU CD1 C 13 24.889 0.400 . 1 . . . . 51 LEU CD1 . 16766 1 657 . 1 1 51 51 LEU CD2 C 13 21.913 0.400 . 1 . . . . 51 LEU CD2 . 16766 1 658 . 1 1 51 51 LEU CG C 13 26.353 0.400 . 1 . . . . 51 LEU CG . 16766 1 659 . 1 1 51 51 LEU N N 15 119.707 0.400 . 1 . . . . 51 LEU N . 16766 1 660 . 1 1 52 52 LEU H H 1 8.076 0.020 . 1 . . . . 52 LEU H . 16766 1 661 . 1 1 52 52 LEU HA H 1 3.983 0.020 . 1 . . . . 52 LEU HA . 16766 1 662 . 1 1 52 52 LEU HB2 H 1 1.691 0.020 . 2 . . . . 52 LEU HB2 . 16766 1 663 . 1 1 52 52 LEU HB3 H 1 1.556 0.020 . 2 . . . . 52 LEU HB3 . 16766 1 664 . 1 1 52 52 LEU HD11 H 1 0.757 0.020 . 2 . . . . 52 LEU HD1 . 16766 1 665 . 1 1 52 52 LEU HD12 H 1 0.757 0.020 . 2 . . . . 52 LEU HD1 . 16766 1 666 . 1 1 52 52 LEU HD13 H 1 0.757 0.020 . 2 . . . . 52 LEU HD1 . 16766 1 667 . 1 1 52 52 LEU HD21 H 1 0.823 0.020 . 2 . . . . 52 LEU HD2 . 16766 1 668 . 1 1 52 52 LEU HD22 H 1 0.823 0.020 . 2 . . . . 52 LEU HD2 . 16766 1 669 . 1 1 52 52 LEU HD23 H 1 0.823 0.020 . 2 . . . . 52 LEU HD2 . 16766 1 670 . 1 1 52 52 LEU HG H 1 1.692 0.020 . 1 . . . . 52 LEU HG . 16766 1 671 . 1 1 52 52 LEU C C 13 178.429 0.400 . 1 . . . . 52 LEU C . 16766 1 672 . 1 1 52 52 LEU CA C 13 56.569 0.400 . 1 . . . . 52 LEU CA . 16766 1 673 . 1 1 52 52 LEU CB C 13 42.003 0.400 . 1 . . . . 52 LEU CB . 16766 1 674 . 1 1 52 52 LEU CD1 C 13 23.634 0.400 . 1 . . . . 52 LEU CD1 . 16766 1 675 . 1 1 52 52 LEU CD2 C 13 25.246 0.400 . 1 . . . . 52 LEU CD2 . 16766 1 676 . 1 1 52 52 LEU CG C 13 27.666 0.400 . 1 . . . . 52 LEU CG . 16766 1 677 . 1 1 52 52 LEU N N 15 113.672 0.400 . 1 . . . . 52 LEU N . 16766 1 678 . 1 1 53 53 GLN H H 1 7.269 0.020 . 1 . . . . 53 GLN H . 16766 1 679 . 1 1 53 53 GLN HA H 1 4.329 0.020 . 1 . . . . 53 GLN HA . 16766 1 680 . 1 1 53 53 GLN HB2 H 1 2.377 0.020 . 2 . . . . 53 GLN HB2 . 16766 1 681 . 1 1 53 53 GLN HB3 H 1 2.034 0.020 . 2 . . . . 53 GLN HB3 . 16766 1 682 . 1 1 53 53 GLN HE21 H 1 7.513 0.020 . 2 . . . . 53 GLN HE21 . 16766 1 683 . 1 1 53 53 GLN HE22 H 1 6.858 0.020 . 2 . . . . 53 GLN HE22 . 16766 1 684 . 1 1 53 53 GLN HG2 H 1 2.541 0.020 . 2 . . . . 53 GLN HG2 . 16766 1 685 . 1 1 53 53 GLN HG3 H 1 2.367 0.020 . 2 . . . . 53 GLN HG3 . 16766 1 686 . 1 1 53 53 GLN C C 13 177.571 0.400 . 1 . . . . 53 GLN C . 16766 1 687 . 1 1 53 53 GLN CA C 13 55.515 0.400 . 1 . . . . 53 GLN CA . 16766 1 688 . 1 1 53 53 GLN CB C 13 28.903 0.400 . 1 . . . . 53 GLN CB . 16766 1 689 . 1 1 53 53 GLN CG C 13 34.012 0.400 . 1 . . . . 53 GLN CG . 16766 1 690 . 1 1 53 53 GLN N N 15 115.075 0.400 . 1 . . . . 53 GLN N . 16766 1 691 . 1 1 53 53 GLN NE2 N 15 112.827 0.400 . 1 . . . . 53 GLN NE2 . 16766 1 692 . 1 1 54 54 ILE H H 1 7.806 0.020 . 1 . . . . 54 ILE H . 16766 1 693 . 1 1 54 54 ILE HA H 1 3.858 0.020 . 1 . . . . 54 ILE HA . 16766 1 694 . 1 1 54 54 ILE HB H 1 2.129 0.020 . 1 . . . . 54 ILE HB . 16766 1 695 . 1 1 54 54 ILE HD11 H 1 0.796 0.020 . 1 . . . . 54 ILE HD1 . 16766 1 696 . 1 1 54 54 ILE HD12 H 1 0.796 0.020 . 1 . . . . 54 ILE HD1 . 16766 1 697 . 1 1 54 54 ILE HD13 H 1 0.796 0.020 . 1 . . . . 54 ILE HD1 . 16766 1 698 . 1 1 54 54 ILE HG12 H 1 1.786 0.020 . 2 . . . . 54 ILE HG12 . 16766 1 699 . 1 1 54 54 ILE HG13 H 1 0.914 0.020 . 2 . . . . 54 ILE HG13 . 16766 1 700 . 1 1 54 54 ILE HG21 H 1 0.892 0.020 . 1 . . . . 54 ILE HG2 . 16766 1 701 . 1 1 54 54 ILE HG22 H 1 0.892 0.020 . 1 . . . . 54 ILE HG2 . 16766 1 702 . 1 1 54 54 ILE HG23 H 1 0.892 0.020 . 1 . . . . 54 ILE HG2 . 16766 1 703 . 1 1 54 54 ILE C C 13 176.281 0.400 . 1 . . . . 54 ILE C . 16766 1 704 . 1 1 54 54 ILE CA C 13 61.690 0.400 . 1 . . . . 54 ILE CA . 16766 1 705 . 1 1 54 54 ILE CB C 13 37.753 0.400 . 1 . . . . 54 ILE CB . 16766 1 706 . 1 1 54 54 ILE CD1 C 13 14.169 0.400 . 1 . . . . 54 ILE CD1 . 16766 1 707 . 1 1 54 54 ILE CG1 C 13 28.314 0.400 . 1 . . . . 54 ILE CG1 . 16766 1 708 . 1 1 54 54 ILE CG2 C 13 18.095 0.400 . 1 . . . . 54 ILE CG2 . 16766 1 709 . 1 1 54 54 ILE N N 15 123.639 0.400 . 1 . . . . 54 ILE N . 16766 1 710 . 1 1 55 55 ASP H H 1 8.515 0.020 . 1 . . . . 55 ASP H . 16766 1 711 . 1 1 55 55 ASP HA H 1 4.331 0.020 . 1 . . . . 55 ASP HA . 16766 1 712 . 1 1 55 55 ASP HB2 H 1 2.608 0.020 . 2 . . . . 55 ASP HB2 . 16766 1 713 . 1 1 55 55 ASP HB3 H 1 2.582 0.020 . 2 . . . . 55 ASP HB3 . 16766 1 714 . 1 1 55 55 ASP C C 13 175.997 0.400 . 1 . . . . 55 ASP C . 16766 1 715 . 1 1 55 55 ASP CA C 13 56.444 0.400 . 1 . . . . 55 ASP CA . 16766 1 716 . 1 1 55 55 ASP CB C 13 41.226 0.400 . 1 . . . . 55 ASP CB . 16766 1 717 . 1 1 55 55 ASP N N 15 128.806 0.400 . 1 . . . . 55 ASP N . 16766 1 718 . 1 1 56 56 GLY H H 1 8.753 0.020 . 1 . . . . 56 GLY H . 16766 1 719 . 1 1 56 56 GLY HA2 H 1 4.379 0.020 . 2 . . . . 56 GLY HA2 . 16766 1 720 . 1 1 56 56 GLY HA3 H 1 3.719 0.020 . 2 . . . . 56 GLY HA3 . 16766 1 721 . 1 1 56 56 GLY C C 13 176.456 0.400 . 1 . . . . 56 GLY C . 16766 1 722 . 1 1 56 56 GLY CA C 13 45.206 0.400 . 1 . . . . 56 GLY CA . 16766 1 723 . 1 1 56 56 GLY N N 15 113.824 0.400 . 1 . . . . 56 GLY N . 16766 1 724 . 1 1 57 57 VAL H H 1 8.351 0.020 . 1 . . . . 57 VAL H . 16766 1 725 . 1 1 57 57 VAL HA H 1 4.121 0.020 . 1 . . . . 57 VAL HA . 16766 1 726 . 1 1 57 57 VAL HB H 1 2.698 0.020 . 1 . . . . 57 VAL HB . 16766 1 727 . 1 1 57 57 VAL HG11 H 1 0.623 0.020 . 2 . . . . 57 VAL HG1 . 16766 1 728 . 1 1 57 57 VAL HG12 H 1 0.623 0.020 . 2 . . . . 57 VAL HG1 . 16766 1 729 . 1 1 57 57 VAL HG13 H 1 0.623 0.020 . 2 . . . . 57 VAL HG1 . 16766 1 730 . 1 1 57 57 VAL HG21 H 1 0.753 0.020 . 2 . . . . 57 VAL HG2 . 16766 1 731 . 1 1 57 57 VAL HG22 H 1 0.753 0.020 . 2 . . . . 57 VAL HG2 . 16766 1 732 . 1 1 57 57 VAL HG23 H 1 0.753 0.020 . 2 . . . . 57 VAL HG2 . 16766 1 733 . 1 1 57 57 VAL C C 13 174.112 0.400 . 1 . . . . 57 VAL C . 16766 1 734 . 1 1 57 57 VAL CA C 13 63.752 0.400 . 1 . . . . 57 VAL CA . 16766 1 735 . 1 1 57 57 VAL CB C 13 30.395 0.400 . 1 . . . . 57 VAL CB . 16766 1 736 . 1 1 57 57 VAL CG1 C 13 22.222 0.400 . 1 . . . . 57 VAL CG1 . 16766 1 737 . 1 1 57 57 VAL CG2 C 13 22.715 0.400 . 1 . . . . 57 VAL CG2 . 16766 1 738 . 1 1 57 57 VAL N N 15 122.638 0.400 . 1 . . . . 57 VAL N . 16766 1 739 . 1 1 58 58 THR H H 1 6.491 0.020 . 1 . . . . 58 THR H . 16766 1 740 . 1 1 58 58 THR HA H 1 4.782 0.020 . 1 . . . . 58 THR HA . 16766 1 741 . 1 1 58 58 THR HB H 1 4.674 0.020 . 1 . . . . 58 THR HB . 16766 1 742 . 1 1 58 58 THR HG21 H 1 1.225 0.020 . 1 . . . . 58 THR HG2 . 16766 1 743 . 1 1 58 58 THR HG22 H 1 1.225 0.020 . 1 . . . . 58 THR HG2 . 16766 1 744 . 1 1 58 58 THR HG23 H 1 1.225 0.020 . 1 . . . . 58 THR HG2 . 16766 1 745 . 1 1 58 58 THR C C 13 174.411 0.400 . 1 . . . . 58 THR C . 16766 1 746 . 1 1 58 58 THR CA C 13 58.557 0.400 . 1 . . . . 58 THR CA . 16766 1 747 . 1 1 58 58 THR CB C 13 72.176 0.400 . 1 . . . . 58 THR CB . 16766 1 748 . 1 1 58 58 THR CG2 C 13 22.120 0.400 . 1 . . . . 58 THR CG2 . 16766 1 749 . 1 1 58 58 THR N N 15 112.752 0.400 . 1 . . . . 58 THR N . 16766 1 750 . 1 1 59 59 GLU H H 1 9.551 0.020 . 1 . . . . 59 GLU H . 16766 1 751 . 1 1 59 59 GLU HA H 1 3.916 0.020 . 1 . . . . 59 GLU HA . 16766 1 752 . 1 1 59 59 GLU HB2 H 1 2.108 0.020 . 2 . . . . 59 GLU HB2 . 16766 1 753 . 1 1 59 59 GLU HB3 H 1 2.108 0.020 . 2 . . . . 59 GLU HB3 . 16766 1 754 . 1 1 59 59 GLU HG2 H 1 2.417 0.020 . 2 . . . . 59 GLU HG2 . 16766 1 755 . 1 1 59 59 GLU HG3 H 1 2.367 0.020 . 2 . . . . 59 GLU HG3 . 16766 1 756 . 1 1 59 59 GLU C C 13 175.071 0.400 . 1 . . . . 59 GLU C . 16766 1 757 . 1 1 59 59 GLU CA C 13 60.827 0.400 . 1 . . . . 59 GLU CA . 16766 1 758 . 1 1 59 59 GLU CB C 13 29.348 0.400 . 1 . . . . 59 GLU CB . 16766 1 759 . 1 1 59 59 GLU CG C 13 37.464 0.400 . 1 . . . . 59 GLU CG . 16766 1 760 . 1 1 59 59 GLU N N 15 122.571 0.400 . 1 . . . . 59 GLU N . 16766 1 761 . 1 1 60 60 ASP H H 1 8.569 0.020 . 1 . . . . 60 ASP H . 16766 1 762 . 1 1 60 60 ASP HA H 1 4.386 0.020 . 1 . . . . 60 ASP HA . 16766 1 763 . 1 1 60 60 ASP HB2 H 1 2.612 0.020 . 2 . . . . 60 ASP HB2 . 16766 1 764 . 1 1 60 60 ASP HB3 H 1 2.550 0.020 . 2 . . . . 60 ASP HB3 . 16766 1 765 . 1 1 60 60 ASP C C 13 178.886 0.400 . 1 . . . . 60 ASP C . 16766 1 766 . 1 1 60 60 ASP CA C 13 57.207 0.400 . 1 . . . . 60 ASP CA . 16766 1 767 . 1 1 60 60 ASP CB C 13 41.091 0.400 . 1 . . . . 60 ASP CB . 16766 1 768 . 1 1 60 60 ASP N N 15 117.897 0.400 . 1 . . . . 60 ASP N . 16766 1 769 . 1 1 61 61 LYS H H 1 7.593 0.020 . 1 . . . . 61 LYS H . 16766 1 770 . 1 1 61 61 LYS HA H 1 3.900 0.020 . 1 . . . . 61 LYS HA . 16766 1 771 . 1 1 61 61 LYS HB2 H 1 2.037 0.020 . 2 . . . . 61 LYS HB2 . 16766 1 772 . 1 1 61 61 LYS HB3 H 1 1.883 0.020 . 2 . . . . 61 LYS HB3 . 16766 1 773 . 1 1 61 61 LYS HD2 H 1 1.775 0.020 . 2 . . . . 61 LYS HD2 . 16766 1 774 . 1 1 61 61 LYS HD3 H 1 1.775 0.020 . 2 . . . . 61 LYS HD3 . 16766 1 775 . 1 1 61 61 LYS HE2 H 1 3.094 0.020 . 2 . . . . 61 LYS HE2 . 16766 1 776 . 1 1 61 61 LYS HE3 H 1 3.042 0.020 . 2 . . . . 61 LYS HE3 . 16766 1 777 . 1 1 61 61 LYS HG2 H 1 1.767 0.020 . 2 . . . . 61 LYS HG2 . 16766 1 778 . 1 1 61 61 LYS HG3 H 1 1.394 0.020 . 2 . . . . 61 LYS HG3 . 16766 1 779 . 1 1 61 61 LYS C C 13 178.331 0.400 . 1 . . . . 61 LYS C . 16766 1 780 . 1 1 61 61 LYS CA C 13 59.788 0.400 . 1 . . . . 61 LYS CA . 16766 1 781 . 1 1 61 61 LYS CB C 13 34.191 0.400 . 1 . . . . 61 LYS CB . 16766 1 782 . 1 1 61 61 LYS CD C 13 29.877 0.400 . 1 . . . . 61 LYS CD . 16766 1 783 . 1 1 61 61 LYS CE C 13 42.395 0.400 . 1 . . . . 61 LYS CE . 16766 1 784 . 1 1 61 61 LYS CG C 13 27.157 0.400 . 1 . . . . 61 LYS CG . 16766 1 785 . 1 1 61 61 LYS N N 15 117.876 0.400 . 1 . . . . 61 LYS N . 16766 1 786 . 1 1 62 62 LEU H H 1 8.295 0.020 . 1 . . . . 62 LEU H . 16766 1 787 . 1 1 62 62 LEU HA H 1 4.067 0.020 . 1 . . . . 62 LEU HA . 16766 1 788 . 1 1 62 62 LEU HB2 H 1 1.884 0.020 . 2 . . . . 62 LEU HB2 . 16766 1 789 . 1 1 62 62 LEU HB3 H 1 1.618 0.020 . 2 . . . . 62 LEU HB3 . 16766 1 790 . 1 1 62 62 LEU HD11 H 1 0.798 0.020 . 2 . . . . 62 LEU HD1 . 16766 1 791 . 1 1 62 62 LEU HD12 H 1 0.798 0.020 . 2 . . . . 62 LEU HD1 . 16766 1 792 . 1 1 62 62 LEU HD13 H 1 0.798 0.020 . 2 . . . . 62 LEU HD1 . 16766 1 793 . 1 1 62 62 LEU HD21 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 16766 1 794 . 1 1 62 62 LEU HD22 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 16766 1 795 . 1 1 62 62 LEU HD23 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 16766 1 796 . 1 1 62 62 LEU HG H 1 1.795 0.020 . 1 . . . . 62 LEU HG . 16766 1 797 . 1 1 62 62 LEU C C 13 179.129 0.400 . 1 . . . . 62 LEU C . 16766 1 798 . 1 1 62 62 LEU CA C 13 57.497 0.400 . 1 . . . . 62 LEU CA . 16766 1 799 . 1 1 62 62 LEU CB C 13 40.627 0.400 . 1 . . . . 62 LEU CB . 16766 1 800 . 1 1 62 62 LEU CD1 C 13 22.509 0.400 . 1 . . . . 62 LEU CD1 . 16766 1 801 . 1 1 62 62 LEU CD2 C 13 25.332 0.400 . 1 . . . . 62 LEU CD2 . 16766 1 802 . 1 1 62 62 LEU CG C 13 26.937 0.400 . 1 . . . . 62 LEU CG . 16766 1 803 . 1 1 62 62 LEU N N 15 118.370 0.400 . 1 . . . . 62 LEU N . 16766 1 804 . 1 1 63 63 GLU H H 1 8.271 0.020 . 1 . . . . 63 GLU H . 16766 1 805 . 1 1 63 63 GLU HA H 1 4.039 0.020 . 1 . . . . 63 GLU HA . 16766 1 806 . 1 1 63 63 GLU HB2 H 1 2.154 0.020 . 2 . . . . 63 GLU HB2 . 16766 1 807 . 1 1 63 63 GLU HB3 H 1 2.092 0.020 . 2 . . . . 63 GLU HB3 . 16766 1 808 . 1 1 63 63 GLU HG2 H 1 2.346 0.020 . 2 . . . . 63 GLU HG2 . 16766 1 809 . 1 1 63 63 GLU HG3 H 1 2.220 0.020 . 2 . . . . 63 GLU HG3 . 16766 1 810 . 1 1 63 63 GLU C C 13 179.844 0.400 . 1 . . . . 63 GLU C . 16766 1 811 . 1 1 63 63 GLU CA C 13 59.687 0.400 . 1 . . . . 63 GLU CA . 16766 1 812 . 1 1 63 63 GLU CB C 13 29.585 0.400 . 1 . . . . 63 GLU CB . 16766 1 813 . 1 1 63 63 GLU CG C 13 36.335 0.400 . 1 . . . . 63 GLU CG . 16766 1 814 . 1 1 63 63 GLU N N 15 121.236 0.400 . 1 . . . . 63 GLU N . 16766 1 815 . 1 1 64 64 LYS H H 1 7.485 0.020 . 1 . . . . 64 LYS H . 16766 1 816 . 1 1 64 64 LYS HA H 1 3.918 0.020 . 1 . . . . 64 LYS HA . 16766 1 817 . 1 1 64 64 LYS HB2 H 1 0.839 0.020 . 2 . . . . 64 LYS HB2 . 16766 1 818 . 1 1 64 64 LYS HB3 H 1 0.650 0.020 . 2 . . . . 64 LYS HB3 . 16766 1 819 . 1 1 64 64 LYS HD2 H 1 1.187 0.020 . 2 . . . . 64 LYS HD2 . 16766 1 820 . 1 1 64 64 LYS HD3 H 1 1.187 0.020 . 2 . . . . 64 LYS HD3 . 16766 1 821 . 1 1 64 64 LYS HE2 H 1 2.672 0.020 . 2 . . . . 64 LYS HE2 . 16766 1 822 . 1 1 64 64 LYS HE3 H 1 2.672 0.020 . 2 . . . . 64 LYS HE3 . 16766 1 823 . 1 1 64 64 LYS HG2 H 1 1.165 0.020 . 2 . . . . 64 LYS HG2 . 16766 1 824 . 1 1 64 64 LYS HG3 H 1 0.831 0.020 . 2 . . . . 64 LYS HG3 . 16766 1 825 . 1 1 64 64 LYS C C 13 178.428 0.400 . 1 . . . . 64 LYS C . 16766 1 826 . 1 1 64 64 LYS CA C 13 59.113 0.400 . 1 . . . . 64 LYS CA . 16766 1 827 . 1 1 64 64 LYS CB C 13 33.149 0.400 . 1 . . . . 64 LYS CB . 16766 1 828 . 1 1 64 64 LYS CD C 13 29.089 0.400 . 1 . . . . 64 LYS CD . 16766 1 829 . 1 1 64 64 LYS CE C 13 41.821 0.400 . 1 . . . . 64 LYS CE . 16766 1 830 . 1 1 64 64 LYS CG C 13 25.484 0.400 . 1 . . . . 64 LYS CG . 16766 1 831 . 1 1 64 64 LYS N N 15 117.103 0.400 . 1 . . . . 64 LYS N . 16766 1 832 . 1 1 65 65 TYR H H 1 8.145 0.020 . 1 . . . . 65 TYR H . 16766 1 833 . 1 1 65 65 TYR HA H 1 5.094 0.020 . 1 . . . . 65 TYR HA . 16766 1 834 . 1 1 65 65 TYR HB2 H 1 3.397 0.020 . 2 . . . . 65 TYR HB2 . 16766 1 835 . 1 1 65 65 TYR HB3 H 1 2.641 0.020 . 2 . . . . 65 TYR HB3 . 16766 1 836 . 1 1 65 65 TYR HD1 H 1 6.723 0.020 . 1 . . . . 65 TYR HD1 . 16766 1 837 . 1 1 65 65 TYR HD2 H 1 6.723 0.020 . 1 . . . . 65 TYR HD2 . 16766 1 838 . 1 1 65 65 TYR HE1 H 1 6.073 0.020 . 1 . . . . 65 TYR HE1 . 16766 1 839 . 1 1 65 65 TYR HE2 H 1 6.073 0.020 . 1 . . . . 65 TYR HE2 . 16766 1 840 . 1 1 65 65 TYR C C 13 178.271 0.400 . 1 . . . . 65 TYR C . 16766 1 841 . 1 1 65 65 TYR CA C 13 55.469 0.400 . 1 . . . . 65 TYR CA . 16766 1 842 . 1 1 65 65 TYR CB C 13 40.196 0.400 . 1 . . . . 65 TYR CB . 16766 1 843 . 1 1 65 65 TYR CD1 C 13 133.032 0.400 . 1 . . . . 65 TYR CD1 . 16766 1 844 . 1 1 65 65 TYR CE1 C 13 117.832 0.400 . 1 . . . . 65 TYR CE1 . 16766 1 845 . 1 1 65 65 TYR N N 15 114.677 0.400 . 1 . . . . 65 TYR N . 16766 1 846 . 1 1 66 66 GLY H H 1 7.922 0.020 . 1 . . . . 66 GLY H . 16766 1 847 . 1 1 66 66 GLY HA2 H 1 3.692 0.020 . 2 . . . . 66 GLY HA2 . 16766 1 848 . 1 1 66 66 GLY HA3 H 1 4.252 0.020 . 2 . . . . 66 GLY HA3 . 16766 1 849 . 1 1 66 66 GLY C C 13 176.656 0.400 . 1 . . . . 66 GLY C . 16766 1 850 . 1 1 66 66 GLY CA C 13 48.228 0.400 . 1 . . . . 66 GLY CA . 16766 1 851 . 1 1 66 66 GLY N N 15 106.791 0.400 . 1 . . . . 66 GLY N . 16766 1 852 . 1 1 67 67 ALA H H 1 8.731 0.020 . 1 . . . . 67 ALA H . 16766 1 853 . 1 1 67 67 ALA HA H 1 4.072 0.020 . 1 . . . . 67 ALA HA . 16766 1 854 . 1 1 67 67 ALA HB1 H 1 1.472 0.020 . 1 . . . . 67 ALA HB . 16766 1 855 . 1 1 67 67 ALA HB2 H 1 1.472 0.020 . 1 . . . . 67 ALA HB . 16766 1 856 . 1 1 67 67 ALA HB3 H 1 1.472 0.020 . 1 . . . . 67 ALA HB . 16766 1 857 . 1 1 67 67 ALA C C 13 174.993 0.400 . 1 . . . . 67 ALA C . 16766 1 858 . 1 1 67 67 ALA CA C 13 56.279 0.400 . 1 . . . . 67 ALA CA . 16766 1 859 . 1 1 67 67 ALA CB C 13 17.759 0.400 . 1 . . . . 67 ALA CB . 16766 1 860 . 1 1 67 67 ALA N N 15 123.336 0.400 . 1 . . . . 67 ALA N . 16766 1 861 . 1 1 68 68 GLU H H 1 8.886 0.020 . 1 . . . . 68 GLU H . 16766 1 862 . 1 1 68 68 GLU HA H 1 4.179 0.020 . 1 . . . . 68 GLU HA . 16766 1 863 . 1 1 68 68 GLU HB2 H 1 2.211 0.020 . 2 . . . . 68 GLU HB2 . 16766 1 864 . 1 1 68 68 GLU HB3 H 1 2.083 0.020 . 2 . . . . 68 GLU HB3 . 16766 1 865 . 1 1 68 68 GLU HG2 H 1 2.556 0.020 . 2 . . . . 68 GLU HG2 . 16766 1 866 . 1 1 68 68 GLU HG3 H 1 2.416 0.020 . 2 . . . . 68 GLU HG3 . 16766 1 867 . 1 1 68 68 GLU C C 13 171.112 0.400 . 1 . . . . 68 GLU C . 16766 1 868 . 1 1 68 68 GLU CA C 13 59.935 0.400 . 1 . . . . 68 GLU CA . 16766 1 869 . 1 1 68 68 GLU CB C 13 29.575 0.400 . 1 . . . . 68 GLU CB . 16766 1 870 . 1 1 68 68 GLU CG C 13 37.344 0.400 . 1 . . . . 68 GLU CG . 16766 1 871 . 1 1 68 68 GLU N N 15 117.142 0.400 . 1 . . . . 68 GLU N . 16766 1 872 . 1 1 69 69 VAL H H 1 7.498 0.020 . 1 . . . . 69 VAL H . 16766 1 873 . 1 1 69 69 VAL HA H 1 3.736 0.020 . 1 . . . . 69 VAL HA . 16766 1 874 . 1 1 69 69 VAL HB H 1 2.148 0.020 . 1 . . . . 69 VAL HB . 16766 1 875 . 1 1 69 69 VAL HG11 H 1 0.837 0.020 . 2 . . . . 69 VAL HG1 . 16766 1 876 . 1 1 69 69 VAL HG12 H 1 0.837 0.020 . 2 . . . . 69 VAL HG1 . 16766 1 877 . 1 1 69 69 VAL HG13 H 1 0.837 0.020 . 2 . . . . 69 VAL HG1 . 16766 1 878 . 1 1 69 69 VAL HG21 H 1 1.086 0.020 . 2 . . . . 69 VAL HG2 . 16766 1 879 . 1 1 69 69 VAL HG22 H 1 1.086 0.020 . 2 . . . . 69 VAL HG2 . 16766 1 880 . 1 1 69 69 VAL HG23 H 1 1.086 0.020 . 2 . . . . 69 VAL HG2 . 16766 1 881 . 1 1 69 69 VAL C C 13 179.349 0.400 . 1 . . . . 69 VAL C . 16766 1 882 . 1 1 69 69 VAL CA C 13 66.284 0.400 . 1 . . . . 69 VAL CA . 16766 1 883 . 1 1 69 69 VAL CB C 13 32.609 0.400 . 1 . . . . 69 VAL CB . 16766 1 884 . 1 1 69 69 VAL CG1 C 13 21.091 0.400 . 1 . . . . 69 VAL CG1 . 16766 1 885 . 1 1 69 69 VAL CG2 C 13 21.984 0.400 . 1 . . . . 69 VAL CG2 . 16766 1 886 . 1 1 69 69 VAL N N 15 117.357 0.400 . 1 . . . . 69 VAL N . 16766 1 887 . 1 1 70 70 ILE H H 1 9.315 0.020 . 1 . . . . 70 ILE H . 16766 1 888 . 1 1 70 70 ILE HA H 1 3.629 0.020 . 1 . . . . 70 ILE HA . 16766 1 889 . 1 1 70 70 ILE HB H 1 2.028 0.020 . 1 . . . . 70 ILE HB . 16766 1 890 . 1 1 70 70 ILE HD11 H 1 0.775 0.020 . 1 . . . . 70 ILE HD1 . 16766 1 891 . 1 1 70 70 ILE HD12 H 1 0.775 0.020 . 1 . . . . 70 ILE HD1 . 16766 1 892 . 1 1 70 70 ILE HD13 H 1 0.775 0.020 . 1 . . . . 70 ILE HD1 . 16766 1 893 . 1 1 70 70 ILE HG12 H 1 1.641 0.020 . 2 . . . . 70 ILE HG12 . 16766 1 894 . 1 1 70 70 ILE HG13 H 1 0.985 0.020 . 2 . . . . 70 ILE HG13 . 16766 1 895 . 1 1 70 70 ILE HG21 H 1 0.956 0.020 . 1 . . . . 70 ILE HG2 . 16766 1 896 . 1 1 70 70 ILE HG22 H 1 0.956 0.020 . 1 . . . . 70 ILE HG2 . 16766 1 897 . 1 1 70 70 ILE HG23 H 1 0.956 0.020 . 1 . . . . 70 ILE HG2 . 16766 1 898 . 1 1 70 70 ILE C C 13 177.681 0.400 . 1 . . . . 70 ILE C . 16766 1 899 . 1 1 70 70 ILE CA C 13 65.724 0.400 . 1 . . . . 70 ILE CA . 16766 1 900 . 1 1 70 70 ILE CB C 13 36.928 0.400 . 1 . . . . 70 ILE CB . 16766 1 901 . 1 1 70 70 ILE CD1 C 13 12.636 0.400 . 1 . . . . 70 ILE CD1 . 16766 1 902 . 1 1 70 70 ILE CG1 C 13 31.020 0.400 . 1 . . . . 70 ILE CG1 . 16766 1 903 . 1 1 70 70 ILE CG2 C 13 17.803 0.400 . 1 . . . . 70 ILE CG2 . 16766 1 904 . 1 1 70 70 ILE N N 15 121.457 0.400 . 1 . . . . 70 ILE N . 16766 1 905 . 1 1 71 71 SER H H 1 7.652 0.020 . 1 . . . . 71 SER H . 16766 1 906 . 1 1 71 71 SER HA H 1 4.260 0.020 . 1 . . . . 71 SER HA . 16766 1 907 . 1 1 71 71 SER HB2 H 1 4.034 0.020 . 2 . . . . 71 SER HB2 . 16766 1 908 . 1 1 71 71 SER HB3 H 1 3.991 0.020 . 2 . . . . 71 SER HB3 . 16766 1 909 . 1 1 71 71 SER C C 13 177.428 0.400 . 1 . . . . 71 SER C . 16766 1 910 . 1 1 71 71 SER CA C 13 61.936 0.400 . 1 . . . . 71 SER CA . 16766 1 911 . 1 1 71 71 SER CB C 13 62.942 0.400 . 1 . . . . 71 SER CB . 16766 1 912 . 1 1 71 71 SER N N 15 113.897 0.400 . 1 . . . . 71 SER N . 16766 1 913 . 1 1 72 72 VAL H H 1 7.090 0.020 . 1 . . . . 72 VAL H . 16766 1 914 . 1 1 72 72 VAL HA H 1 3.810 0.020 . 1 . . . . 72 VAL HA . 16766 1 915 . 1 1 72 72 VAL HB H 1 2.354 0.020 . 1 . . . . 72 VAL HB . 16766 1 916 . 1 1 72 72 VAL HG11 H 1 1.141 0.020 . 2 . . . . 72 VAL HG1 . 16766 1 917 . 1 1 72 72 VAL HG12 H 1 1.141 0.020 . 2 . . . . 72 VAL HG1 . 16766 1 918 . 1 1 72 72 VAL HG13 H 1 1.141 0.020 . 2 . . . . 72 VAL HG1 . 16766 1 919 . 1 1 72 72 VAL HG21 H 1 1.167 0.020 . 2 . . . . 72 VAL HG2 . 16766 1 920 . 1 1 72 72 VAL HG22 H 1 1.167 0.020 . 2 . . . . 72 VAL HG2 . 16766 1 921 . 1 1 72 72 VAL HG23 H 1 1.167 0.020 . 2 . . . . 72 VAL HG2 . 16766 1 922 . 1 1 72 72 VAL C C 13 176.858 0.400 . 1 . . . . 72 VAL C . 16766 1 923 . 1 1 72 72 VAL CA C 13 66.306 0.400 . 1 . . . . 72 VAL CA . 16766 1 924 . 1 1 72 72 VAL CB C 13 32.262 0.400 . 1 . . . . 72 VAL CB . 16766 1 925 . 1 1 72 72 VAL CG1 C 13 23.226 0.400 . 1 . . . . 72 VAL CG1 . 16766 1 926 . 1 1 72 72 VAL CG2 C 13 23.428 0.400 . 1 . . . . 72 VAL CG2 . 16766 1 927 . 1 1 72 72 VAL N N 15 119.891 0.400 . 1 . . . . 72 VAL N . 16766 1 928 . 1 1 73 73 LEU H H 1 7.800 0.020 . 1 . . . . 73 LEU H . 16766 1 929 . 1 1 73 73 LEU HA H 1 3.904 0.020 . 1 . . . . 73 LEU HA . 16766 1 930 . 1 1 73 73 LEU HB2 H 1 1.684 0.020 . 2 . . . . 73 LEU HB2 . 16766 1 931 . 1 1 73 73 LEU HB3 H 1 1.315 0.020 . 2 . . . . 73 LEU HB3 . 16766 1 932 . 1 1 73 73 LEU HD11 H 1 0.895 0.020 . 2 . . . . 73 LEU HD1 . 16766 1 933 . 1 1 73 73 LEU HD12 H 1 0.895 0.020 . 2 . . . . 73 LEU HD1 . 16766 1 934 . 1 1 73 73 LEU HD13 H 1 0.895 0.020 . 2 . . . . 73 LEU HD1 . 16766 1 935 . 1 1 73 73 LEU HD21 H 1 0.747 0.020 . 2 . . . . 73 LEU HD2 . 16766 1 936 . 1 1 73 73 LEU HD22 H 1 0.747 0.020 . 2 . . . . 73 LEU HD2 . 16766 1 937 . 1 1 73 73 LEU HD23 H 1 0.747 0.020 . 2 . . . . 73 LEU HD2 . 16766 1 938 . 1 1 73 73 LEU HG H 1 1.527 0.020 . 1 . . . . 73 LEU HG . 16766 1 939 . 1 1 73 73 LEU C C 13 177.857 0.400 . 1 . . . . 73 LEU C . 16766 1 940 . 1 1 73 73 LEU CA C 13 59.118 0.400 . 1 . . . . 73 LEU CA . 16766 1 941 . 1 1 73 73 LEU CB C 13 41.972 0.400 . 1 . . . . 73 LEU CB . 16766 1 942 . 1 1 73 73 LEU CD1 C 13 25.686 0.400 . 1 . . . . 73 LEU CD1 . 16766 1 943 . 1 1 73 73 LEU CD2 C 13 24.010 0.400 . 1 . . . . 73 LEU CD2 . 16766 1 944 . 1 1 73 73 LEU CG C 13 28.505 0.400 . 1 . . . . 73 LEU CG . 16766 1 945 . 1 1 73 73 LEU N N 15 119.169 0.400 . 1 . . . . 73 LEU N . 16766 1 946 . 1 1 74 74 GLN H H 1 9.056 0.020 . 1 . . . . 74 GLN H . 16766 1 947 . 1 1 74 74 GLN HA H 1 4.040 0.020 . 1 . . . . 74 GLN HA . 16766 1 948 . 1 1 74 74 GLN HB2 H 1 2.080 0.020 . 2 . . . . 74 GLN HB2 . 16766 1 949 . 1 1 74 74 GLN HB3 H 1 2.298 0.020 . 2 . . . . 74 GLN HB3 . 16766 1 950 . 1 1 74 74 GLN HE21 H 1 7.485 0.020 . 2 . . . . 74 GLN HE21 . 16766 1 951 . 1 1 74 74 GLN HE22 H 1 6.820 0.020 . 2 . . . . 74 GLN HE22 . 16766 1 952 . 1 1 74 74 GLN HG2 H 1 2.575 0.020 . 2 . . . . 74 GLN HG2 . 16766 1 953 . 1 1 74 74 GLN HG3 H 1 2.521 0.020 . 2 . . . . 74 GLN HG3 . 16766 1 954 . 1 1 74 74 GLN C C 13 170.542 0.400 . 1 . . . . 74 GLN C . 16766 1 955 . 1 1 74 74 GLN CA C 13 58.736 0.400 . 1 . . . . 74 GLN CA . 16766 1 956 . 1 1 74 74 GLN CB C 13 28.399 0.400 . 1 . . . . 74 GLN CB . 16766 1 957 . 1 1 74 74 GLN CG C 13 33.960 0.400 . 1 . . . . 74 GLN CG . 16766 1 958 . 1 1 74 74 GLN N N 15 118.919 0.400 . 1 . . . . 74 GLN N . 16766 1 959 . 1 1 74 74 GLN NE2 N 15 111.410 0.400 . 1 . . . . 74 GLN NE2 . 16766 1 960 . 1 1 75 75 LYS H H 1 7.522 0.020 . 1 . . . . 75 LYS H . 16766 1 961 . 1 1 75 75 LYS HA H 1 4.081 0.020 . 1 . . . . 75 LYS HA . 16766 1 962 . 1 1 75 75 LYS HB2 H 1 1.770 0.020 . 2 . . . . 75 LYS HB2 . 16766 1 963 . 1 1 75 75 LYS HB3 H 1 1.613 0.020 . 2 . . . . 75 LYS HB3 . 16766 1 964 . 1 1 75 75 LYS HD2 H 1 1.748 0.020 . 2 . . . . 75 LYS HD2 . 16766 1 965 . 1 1 75 75 LYS HD3 H 1 1.748 0.020 . 2 . . . . 75 LYS HD3 . 16766 1 966 . 1 1 75 75 LYS HE2 H 1 2.965 0.020 . 2 . . . . 75 LYS HE2 . 16766 1 967 . 1 1 75 75 LYS HE3 H 1 2.965 0.020 . 2 . . . . 75 LYS HE3 . 16766 1 968 . 1 1 75 75 LYS HG2 H 1 1.626 0.020 . 2 . . . . 75 LYS HG2 . 16766 1 969 . 1 1 75 75 LYS HG3 H 1 1.261 0.020 . 2 . . . . 75 LYS HG3 . 16766 1 970 . 1 1 75 75 LYS C C 13 177.603 0.400 . 1 . . . . 75 LYS C . 16766 1 971 . 1 1 75 75 LYS CA C 13 58.451 0.400 . 1 . . . . 75 LYS CA . 16766 1 972 . 1 1 75 75 LYS CB C 13 31.612 0.400 . 1 . . . . 75 LYS CB . 16766 1 973 . 1 1 75 75 LYS CD C 13 29.558 0.400 . 1 . . . . 75 LYS CD . 16766 1 974 . 1 1 75 75 LYS CE C 13 41.755 0.400 . 1 . . . . 75 LYS CE . 16766 1 975 . 1 1 75 75 LYS CG C 13 24.893 0.400 . 1 . . . . 75 LYS CG . 16766 1 976 . 1 1 75 75 LYS N N 15 117.119 0.400 . 1 . . . . 75 LYS N . 16766 1 977 . 1 1 76 76 TYR H H 1 7.725 0.020 . 1 . . . . 76 TYR H . 16766 1 978 . 1 1 76 76 TYR HA H 1 4.683 0.020 . 1 . . . . 76 TYR HA . 16766 1 979 . 1 1 76 76 TYR HB2 H 1 3.608 0.020 . 2 . . . . 76 TYR HB2 . 16766 1 980 . 1 1 76 76 TYR HB3 H 1 2.753 0.020 . 2 . . . . 76 TYR HB3 . 16766 1 981 . 1 1 76 76 TYR HD1 H 1 7.269 0.020 . 1 . . . . 76 TYR HD1 . 16766 1 982 . 1 1 76 76 TYR HD2 H 1 7.269 0.020 . 1 . . . . 76 TYR HD2 . 16766 1 983 . 1 1 76 76 TYR HE1 H 1 6.793 0.020 . 1 . . . . 76 TYR HE1 . 16766 1 984 . 1 1 76 76 TYR HE2 H 1 6.793 0.020 . 1 . . . . 76 TYR HE2 . 16766 1 985 . 1 1 76 76 TYR C C 13 177.776 0.400 . 1 . . . . 76 TYR C . 16766 1 986 . 1 1 76 76 TYR CA C 13 59.172 0.400 . 1 . . . . 76 TYR CA . 16766 1 987 . 1 1 76 76 TYR CB C 13 39.931 0.400 . 1 . . . . 76 TYR CB . 16766 1 988 . 1 1 76 76 TYR CD1 C 13 134.123 0.400 . 1 . . . . 76 TYR CD1 . 16766 1 989 . 1 1 76 76 TYR CE1 C 13 117.965 0.400 . 1 . . . . 76 TYR CE1 . 16766 1 990 . 1 1 76 76 TYR N N 15 116.765 0.400 . 1 . . . . 76 TYR N . 16766 1 991 . 1 1 77 77 SER H H 1 7.468 0.020 . 1 . . . . 77 SER H . 16766 1 992 . 1 1 77 77 SER HA H 1 4.566 0.020 . 1 . . . . 77 SER HA . 16766 1 993 . 1 1 77 77 SER HB2 H 1 4.074 0.020 . 2 . . . . 77 SER HB2 . 16766 1 994 . 1 1 77 77 SER HB3 H 1 3.973 0.020 . 2 . . . . 77 SER HB3 . 16766 1 995 . 1 1 77 77 SER C C 13 175.802 0.400 . 1 . . . . 77 SER C . 16766 1 996 . 1 1 77 77 SER CA C 13 61.127 0.400 . 1 . . . . 77 SER CA . 16766 1 997 . 1 1 77 77 SER CB C 13 63.550 0.400 . 1 . . . . 77 SER CB . 16766 1 998 . 1 1 77 77 SER N N 15 115.485 0.400 . 1 . . . . 77 SER N . 16766 1 999 . 1 1 78 78 GLU H H 1 8.500 0.020 . 1 . . . . 78 GLU H . 16766 1 1000 . 1 1 78 78 GLU HA H 1 4.102 0.020 . 1 . . . . 78 GLU HA . 16766 1 1001 . 1 1 78 78 GLU HB2 H 1 1.544 0.020 . 2 . . . . 78 GLU HB2 . 16766 1 1002 . 1 1 78 78 GLU HB3 H 1 1.379 0.020 . 2 . . . . 78 GLU HB3 . 16766 1 1003 . 1 1 78 78 GLU HG2 H 1 1.916 0.020 . 2 . . . . 78 GLU HG2 . 16766 1 1004 . 1 1 78 78 GLU HG3 H 1 1.767 0.020 . 2 . . . . 78 GLU HG3 . 16766 1 1005 . 1 1 78 78 GLU C C 13 176.162 0.400 . 1 . . . . 78 GLU C . 16766 1 1006 . 1 1 78 78 GLU CA C 13 57.662 0.400 . 1 . . . . 78 GLU CA . 16766 1 1007 . 1 1 78 78 GLU CB C 13 29.080 0.400 . 1 . . . . 78 GLU CB . 16766 1 1008 . 1 1 78 78 GLU CG C 13 36.303 0.400 . 1 . . . . 78 GLU CG . 16766 1 1009 . 1 1 78 78 GLU N N 15 121.163 0.400 . 1 . . . . 78 GLU N . 16766 1 1010 . 1 1 79 79 TRP H H 1 8.159 0.020 . 1 . . . . 79 TRP H . 16766 1 1011 . 1 1 79 79 TRP HA H 1 4.690 0.020 . 1 . . . . 79 TRP HA . 16766 1 1012 . 1 1 79 79 TRP HB2 H 1 3.528 0.020 . 2 . . . . 79 TRP HB2 . 16766 1 1013 . 1 1 79 79 TRP HB3 H 1 3.280 0.020 . 2 . . . . 79 TRP HB3 . 16766 1 1014 . 1 1 79 79 TRP HD1 H 1 7.293 0.020 . 1 . . . . 79 TRP HD1 . 16766 1 1015 . 1 1 79 79 TRP HE1 H 1 10.183 0.020 . 1 . . . . 79 TRP HE1 . 16766 1 1016 . 1 1 79 79 TRP HE3 H 1 7.594 0.020 . 1 . . . . 79 TRP HE3 . 16766 1 1017 . 1 1 79 79 TRP HZ2 H 1 7.478 0.020 . 1 . . . . 79 TRP HZ2 . 16766 1 1018 . 1 1 79 79 TRP HZ3 H 1 7.135 0.020 . 1 . . . . 79 TRP HZ3 . 16766 1 1019 . 1 1 79 79 TRP C C 13 176.850 0.400 . 1 . . . . 79 TRP C . 16766 1 1020 . 1 1 79 79 TRP CA C 13 57.848 0.400 . 1 . . . . 79 TRP CA . 16766 1 1021 . 1 1 79 79 TRP CB C 13 30.256 0.400 . 1 . . . . 79 TRP CB . 16766 1 1022 . 1 1 79 79 TRP CD1 C 13 126.336 0.400 . 1 . . . . 79 TRP CD1 . 16766 1 1023 . 1 1 79 79 TRP CE3 C 13 120.306 0.400 . 1 . . . . 79 TRP CE3 . 16766 1 1024 . 1 1 79 79 TRP CZ2 C 13 114.981 0.400 . 1 . . . . 79 TRP CZ2 . 16766 1 1025 . 1 1 79 79 TRP CZ3 C 13 119.826 0.400 . 1 . . . . 79 TRP CZ3 . 16766 1 1026 . 1 1 79 79 TRP N N 15 118.546 0.400 . 1 . . . . 79 TRP N . 16766 1 1027 . 1 1 79 79 TRP NE1 N 15 129.495 0.400 . 1 . . . . 79 TRP NE1 . 16766 1 1028 . 1 1 80 80 THR H H 1 7.627 0.020 . 1 . . . . 80 THR H . 16766 1 1029 . 1 1 80 80 THR HA H 1 4.006 0.020 . 1 . . . . 80 THR HA . 16766 1 1030 . 1 1 80 80 THR HB H 1 4.008 0.020 . 1 . . . . 80 THR HB . 16766 1 1031 . 1 1 80 80 THR HG21 H 1 1.279 0.020 . 1 . . . . 80 THR HG2 . 16766 1 1032 . 1 1 80 80 THR HG22 H 1 1.279 0.020 . 1 . . . . 80 THR HG2 . 16766 1 1033 . 1 1 80 80 THR HG23 H 1 1.279 0.020 . 1 . . . . 80 THR HG2 . 16766 1 1034 . 1 1 80 80 THR C C 13 175.499 0.400 . 1 . . . . 80 THR C . 16766 1 1035 . 1 1 80 80 THR CA C 13 65.411 0.400 . 1 . . . . 80 THR CA . 16766 1 1036 . 1 1 80 80 THR CB C 13 70.066 0.400 . 1 . . . . 80 THR CB . 16766 1 1037 . 1 1 80 80 THR CG2 C 13 21.623 0.400 . 1 . . . . 80 THR CG2 . 16766 1 1038 . 1 1 80 80 THR N N 15 116.186 0.400 . 1 . . . . 80 THR N . 16766 1 1039 . 1 1 81 81 SER H H 1 8.373 0.020 . 1 . . . . 81 SER H . 16766 1 1040 . 1 1 81 81 SER HA H 1 4.664 0.020 . 1 . . . . 81 SER HA . 16766 1 1041 . 1 1 81 81 SER HB2 H 1 3.876 0.020 . 2 . . . . 81 SER HB2 . 16766 1 1042 . 1 1 81 81 SER HB3 H 1 3.783 0.020 . 2 . . . . 81 SER HB3 . 16766 1 1043 . 1 1 81 81 SER C C 13 175.030 0.400 . 1 . . . . 81 SER C . 16766 1 1044 . 1 1 81 81 SER CA C 13 56.542 0.400 . 1 . . . . 81 SER CA . 16766 1 1045 . 1 1 81 81 SER CB C 13 63.146 0.400 . 1 . . . . 81 SER CB . 16766 1 1046 . 1 1 81 81 SER N N 15 116.990 0.400 . 1 . . . . 81 SER N . 16766 1 1047 . 1 1 82 82 PRO HA H 1 4.404 0.020 . 1 . . . . 82 PRO HA . 16766 1 1048 . 1 1 82 82 PRO HB2 H 1 1.935 0.020 . 2 . . . . 82 PRO HB2 . 16766 1 1049 . 1 1 82 82 PRO HB3 H 1 2.277 0.020 . 2 . . . . 82 PRO HB3 . 16766 1 1050 . 1 1 82 82 PRO HD2 H 1 3.720 0.020 . 2 . . . . 82 PRO HD2 . 16766 1 1051 . 1 1 82 82 PRO HD3 H 1 3.845 0.020 . 2 . . . . 82 PRO HD3 . 16766 1 1052 . 1 1 82 82 PRO HG2 H 1 2.066 0.020 . 2 . . . . 82 PRO HG2 . 16766 1 1053 . 1 1 82 82 PRO HG3 H 1 2.006 0.020 . 2 . . . . 82 PRO HG3 . 16766 1 1054 . 1 1 82 82 PRO CA C 13 63.193 0.400 . 1 . . . . 82 PRO CA . 16766 1 1055 . 1 1 82 82 PRO CB C 13 32.256 0.400 . 1 . . . . 82 PRO CB . 16766 1 1056 . 1 1 82 82 PRO CD C 13 50.745 0.400 . 1 . . . . 82 PRO CD . 16766 1 1057 . 1 1 82 82 PRO CG C 13 27.602 0.400 . 1 . . . . 82 PRO CG . 16766 1 1058 . 1 1 83 83 ALA H H 1 8.450 0.020 . 1 . . . . 83 ALA H . 16766 1 1059 . 1 1 83 83 ALA HA H 1 4.345 0.020 . 1 . . . . 83 ALA HA . 16766 1 1060 . 1 1 83 83 ALA HB1 H 1 1.371 0.020 . 1 . . . . 83 ALA HB . 16766 1 1061 . 1 1 83 83 ALA HB2 H 1 1.371 0.020 . 1 . . . . 83 ALA HB . 16766 1 1062 . 1 1 83 83 ALA HB3 H 1 1.371 0.020 . 1 . . . . 83 ALA HB . 16766 1 1063 . 1 1 83 83 ALA C C 13 176.506 0.400 . 1 . . . . 83 ALA C . 16766 1 1064 . 1 1 83 83 ALA CA C 13 52.355 0.400 . 1 . . . . 83 ALA CA . 16766 1 1065 . 1 1 83 83 ALA CB C 13 19.546 0.400 . 1 . . . . 83 ALA CB . 16766 1 1066 . 1 1 83 83 ALA N N 15 125.035 0.400 . 1 . . . . 83 ALA N . 16766 1 1067 . 1 1 84 84 GLU H H 1 8.398 0.020 . 1 . . . . 84 GLU H . 16766 1 1068 . 1 1 84 84 GLU HA H 1 4.365 0.020 . 1 . . . . 84 GLU HA . 16766 1 1069 . 1 1 84 84 GLU HB2 H 1 2.116 0.020 . 2 . . . . 84 GLU HB2 . 16766 1 1070 . 1 1 84 84 GLU HB3 H 1 1.910 0.020 . 2 . . . . 84 GLU HB3 . 16766 1 1071 . 1 1 84 84 GLU HG2 H 1 2.297 0.020 . 2 . . . . 84 GLU HG2 . 16766 1 1072 . 1 1 84 84 GLU HG3 H 1 2.265 0.020 . 2 . . . . 84 GLU HG3 . 16766 1 1073 . 1 1 84 84 GLU C C 13 177.442 0.400 . 1 . . . . 84 GLU C . 16766 1 1074 . 1 1 84 84 GLU CA C 13 56.256 0.400 . 1 . . . . 84 GLU CA . 16766 1 1075 . 1 1 84 84 GLU CB C 13 31.003 0.400 . 1 . . . . 84 GLU CB . 16766 1 1076 . 1 1 84 84 GLU CG C 13 36.309 0.400 . 1 . . . . 84 GLU CG . 16766 1 1077 . 1 1 84 84 GLU N N 15 120.624 0.400 . 1 . . . . 84 GLU N . 16766 1 1078 . 1 1 85 85 ASP H H 1 8.062 0.020 . 1 . . . . 85 ASP H . 16766 1 1079 . 1 1 85 85 ASP HA H 1 4.397 0.020 . 1 . . . . 85 ASP HA . 16766 1 1080 . 1 1 85 85 ASP HB2 H 1 2.681 0.020 . 2 . . . . 85 ASP HB2 . 16766 1 1081 . 1 1 85 85 ASP HB3 H 1 2.576 0.020 . 2 . . . . 85 ASP HB3 . 16766 1 1082 . 1 1 85 85 ASP C C 13 175.326 0.400 . 1 . . . . 85 ASP C . 16766 1 1083 . 1 1 85 85 ASP CA C 13 56.017 0.400 . 1 . . . . 85 ASP CA . 16766 1 1084 . 1 1 85 85 ASP CB C 13 42.386 0.400 . 1 . . . . 85 ASP CB . 16766 1 1085 . 1 1 85 85 ASP N N 15 126.894 0.400 . 1 . . . . 85 ASP N . 16766 1 stop_ save_