data_36049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36049 _Entry.Title ; NMR structure of the SARS Coronavirus E protein pentameric ion channel ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-31 _Entry.Accession_date 2017-03-01 _Entry.Last_release_date 2017-03-01 _Entry.Original_release_date 2017-03-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 J. Torres J. . . . 36049 2 W. Surya W. . . . 36049 3 Y. Li Y. . . . 36049 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'envelope protein' . 36049 'ion channel' . 36049 'membrane protein' . 36049 pentamer . 36049 'viral protein' . 36049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 36049 '15N chemical shifts' 65 36049 '1H chemical shifts' 472 36049 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 . . 2019-03-08 2017-01-31 update BMRB 'update entry citation' 36049 1 . . 2017-06-05 2017-01-31 original author 'original release' 36049 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X29 'BMRB Entry Tracking System' 36049 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29474890 _Citation.Full_citation . _Citation.Title ; Structure of the SARS coronavirus E protein pentameric ion channel in LMPG micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Citation.Journal_volume 1860 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0005-2736 _Citation.Journal_CSD 0353 _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 1309 _Citation.Page_last 1317 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Surya W. . . . 36049 1 2 Y. Li Y. . . . 36049 1 3 J. Torres J. . . . 36049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36049 _Assembly.ID 1 _Assembly.Name 'Envelope small membrane protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 36049 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 36049 1 3 'entity_1, 3' 1 $entity_1 C C yes . . . . . . 36049 1 4 'entity_1, 4' 1 $entity_1 D D yes . . . . . . 36049 1 5 'entity_1, 5' 1 $entity_1 E E yes . . . . . . 36049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Envelope small membrane protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGVDLGTENLYF QSMETGTLIVNSVLLFLAFV VFLLVTLAILTALRLAAYAA NIVNVSLVKPTVYVYSRVKN L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UNP residues 8-65' _Entity.Mutation 'C40A, C43A, C44A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9003.540 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'sM protein' na 36049 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 36049 1 2 . HIS . 36049 1 3 . HIS . 36049 1 4 . HIS . 36049 1 5 . HIS . 36049 1 6 . HIS . 36049 1 7 . HIS . 36049 1 8 . SER . 36049 1 9 . SER . 36049 1 10 . GLY . 36049 1 11 . VAL . 36049 1 12 . ASP . 36049 1 13 . LEU . 36049 1 14 . GLY . 36049 1 15 . THR . 36049 1 16 . GLU . 36049 1 17 1 ASN . 36049 1 18 2 LEU . 36049 1 19 3 TYR . 36049 1 20 4 PHE . 36049 1 21 5 GLN . 36049 1 22 6 SER . 36049 1 23 7 MET . 36049 1 24 8 GLU . 36049 1 25 9 THR . 36049 1 26 10 GLY . 36049 1 27 11 THR . 36049 1 28 12 LEU . 36049 1 29 13 ILE . 36049 1 30 14 VAL . 36049 1 31 15 ASN . 36049 1 32 16 SER . 36049 1 33 17 VAL . 36049 1 34 18 LEU . 36049 1 35 19 LEU . 36049 1 36 20 PHE . 36049 1 37 21 LEU . 36049 1 38 22 ALA . 36049 1 39 23 PHE . 36049 1 40 24 VAL . 36049 1 41 25 VAL . 36049 1 42 26 PHE . 36049 1 43 27 LEU . 36049 1 44 28 LEU . 36049 1 45 29 VAL . 36049 1 46 30 THR . 36049 1 47 31 LEU . 36049 1 48 32 ALA . 36049 1 49 33 ILE . 36049 1 50 34 LEU . 36049 1 51 35 THR . 36049 1 52 36 ALA . 36049 1 53 37 LEU . 36049 1 54 38 ARG . 36049 1 55 39 LEU . 36049 1 56 40 ALA . 36049 1 57 41 ALA . 36049 1 58 42 TYR . 36049 1 59 43 ALA . 36049 1 60 44 ALA . 36049 1 61 45 ASN . 36049 1 62 46 ILE . 36049 1 63 47 VAL . 36049 1 64 48 ASN . 36049 1 65 49 VAL . 36049 1 66 50 SER . 36049 1 67 51 LEU . 36049 1 68 52 VAL . 36049 1 69 53 LYS . 36049 1 70 54 PRO . 36049 1 71 55 THR . 36049 1 72 56 VAL . 36049 1 73 57 TYR . 36049 1 74 58 VAL . 36049 1 75 59 TYR . 36049 1 76 60 SER . 36049 1 77 61 ARG . 36049 1 78 62 VAL . 36049 1 79 63 LYS . 36049 1 80 64 ASN . 36049 1 81 65 LEU . 36049 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36049 1 . HIS 2 2 36049 1 . HIS 3 3 36049 1 . HIS 4 4 36049 1 . HIS 5 5 36049 1 . HIS 6 6 36049 1 . HIS 7 7 36049 1 . SER 8 8 36049 1 . SER 9 9 36049 1 . GLY 10 10 36049 1 . VAL 11 11 36049 1 . ASP 12 12 36049 1 . LEU 13 13 36049 1 . GLY 14 14 36049 1 . THR 15 15 36049 1 . GLU 16 16 36049 1 . ASN 17 17 36049 1 . LEU 18 18 36049 1 . TYR 19 19 36049 1 . PHE 20 20 36049 1 . GLN 21 21 36049 1 . SER 22 22 36049 1 . MET 23 23 36049 1 . GLU 24 24 36049 1 . THR 25 25 36049 1 . GLY 26 26 36049 1 . THR 27 27 36049 1 . LEU 28 28 36049 1 . ILE 29 29 36049 1 . VAL 30 30 36049 1 . ASN 31 31 36049 1 . SER 32 32 36049 1 . VAL 33 33 36049 1 . LEU 34 34 36049 1 . LEU 35 35 36049 1 . PHE 36 36 36049 1 . LEU 37 37 36049 1 . ALA 38 38 36049 1 . PHE 39 39 36049 1 . VAL 40 40 36049 1 . VAL 41 41 36049 1 . PHE 42 42 36049 1 . LEU 43 43 36049 1 . LEU 44 44 36049 1 . VAL 45 45 36049 1 . THR 46 46 36049 1 . LEU 47 47 36049 1 . ALA 48 48 36049 1 . ILE 49 49 36049 1 . LEU 50 50 36049 1 . THR 51 51 36049 1 . ALA 52 52 36049 1 . LEU 53 53 36049 1 . ARG 54 54 36049 1 . LEU 55 55 36049 1 . ALA 56 56 36049 1 . ALA 57 57 36049 1 . TYR 58 58 36049 1 . ALA 59 59 36049 1 . ALA 60 60 36049 1 . ASN 61 61 36049 1 . ILE 62 62 36049 1 . VAL 63 63 36049 1 . ASN 64 64 36049 1 . VAL 65 65 36049 1 . SER 66 66 36049 1 . LEU 67 67 36049 1 . VAL 68 68 36049 1 . LYS 69 69 36049 1 . PRO 70 70 36049 1 . THR 71 71 36049 1 . VAL 72 72 36049 1 . TYR 73 73 36049 1 . VAL 74 74 36049 1 . TYR 75 75 36049 1 . SER 76 76 36049 1 . ARG 77 77 36049 1 . VAL 78 78 36049 1 . LYS 79 79 36049 1 . ASN 80 80 36049 1 . LEU 81 81 36049 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 36049 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 227859 organism . 'Human SARS coronavirus' SARS-CoV . . Viruses . Betacoronavirus 'Severe acute respiratory syndrome-related coronavirus' . . . . . . . . . . . 'E, sM, 4' . 36049 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 36049 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pNIC28-Bsa4 . . . 36049 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36049 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.67 mM [U-99% 15N] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Envelope small membrane protein' '[U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.67 . . mM . . . . 36049 1 2 LMPG 'natural abundance' . . . . . . 200 . . mM . . . . 36049 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36049 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36049 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36049 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36049 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36049 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.67 mM [U-99% 13C; U-99% 15N] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Envelope small membrane protein' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.67 . . mM . . . . 36049 2 2 LMPG 'natural abundance' . . . . . . 200 . . mM . . . . 36049 2 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36049 2 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36049 2 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36049 2 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36049 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36049 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.67 mM [U-99% 15N, U-99% 2H] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Envelope small membrane protein' '[U-99% 15N, U-99% 2H]' 1 $assembly 1 $entity_1 . protein 0.67 . . mM . . . . 36049 3 2 LMPG 'natural abundance' . . . . . . 200 . . mM . . . . 36049 3 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36049 3 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36049 3 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36049 3 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36049 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 36049 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.33 mM [U-99% 13C] Envelope small membrane protein, 0.33 mM [U-99% 15N, U-99% 2H] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Envelope small membrane protein' '[U-99% 13C]' 1 $assembly 1 $entity_1 . protein 0.33 . . mM . . . . 36049 4 2 'Envelope small membrane protein' '[U-99% 15N, U-99% 2H]' 1 $assembly 1 $entity_1 . protein 0.33 . . mM . . . . 36049 4 3 LMPG 'natural abundance' . . . . . . 200 . . mM . . . . 36049 4 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36049 4 5 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36049 4 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36049 4 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36049 4 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 36049 _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' 50 . mM 36049 1 pH 5.5 . pH 36049 1 pressure 1 . atm 36049 1 temperature 308 . K 36049 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36049 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36049 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36049 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36049 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36049 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36049 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36049 _Software.ID 3 _Software.Type . _Software.Name HADDOCK _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bonvin . . 36049 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36049 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36049 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36049 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36049 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36049 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36049 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 700 . . . 36049 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 36049 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36049 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36049 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36049 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36049 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36049 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36049 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36049 1 2 '3D HNCA' 2 $sample_2 isotropic 36049 1 3 '3D HN(CO)CA' 2 $sample_2 isotropic 36049 1 4 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36049 1 5 '3D 1H-15N NOESY' 2 $sample_2 isotropic 36049 1 6 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36049 1 7 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36049 1 8 '3D 1H-15N NOESY' 3 $sample_3 isotropic 36049 1 9 '3D 1H-15N NOESY' 4 $sample_4 isotropic 36049 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.Ambiguity_set_ID _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 24 24 GLU H H 1 8.254 0.020 . 1 . . . . A 8 GLU H . 36049 1 2 . 1 1 24 24 GLU HA H 1 4.335 0.020 . 1 . . . . A 8 GLU HA . 36049 1 3 . 1 1 24 24 GLU HB2 H 1 2.122 0.020 . 2 . . . . A 8 GLU HB2 . 36049 1 4 . 1 1 24 24 GLU HB3 H 1 1.994 0.020 . 2 . . . . A 8 GLU HB3 . 36049 1 5 . 1 1 24 24 GLU HG2 H 1 2.324 0.020 . 1 . . . . A 8 GLU HG2 . 36049 1 6 . 1 1 24 24 GLU HG3 H 1 2.324 0.020 . 1 . . . . A 8 GLU HG3 . 36049 1 7 . 1 1 24 24 GLU C C 13 174.138 0.3 . 1 . . . . A 8 GLU C . 36049 1 8 . 1 1 24 24 GLU CA C 13 57.209 0.3 . 1 . . . . A 8 GLU CA . 36049 1 9 . 1 1 24 24 GLU CB C 13 29.741 0.3 . 1 . . . . A 8 GLU CB . 36049 1 10 . 1 1 24 24 GLU CG C 13 35.471 0.3 . 1 . . . . A 8 GLU CG . 36049 1 11 . 1 1 24 24 GLU N N 15 120.491 0.3 . 1 . . . . A 8 GLU N . 36049 1 12 . 1 1 25 25 THR H H 1 8.031 0.020 . 1 . . . . A 9 THR H . 36049 1 13 . 1 1 25 25 THR HA H 1 4.213 0.020 . 1 . . . . A 9 THR HA . 36049 1 14 . 1 1 25 25 THR HB H 1 4.217 0.020 . 1 . . . . A 9 THR HB . 36049 1 15 . 1 1 25 25 THR HG21 H 1 1.211 0.020 . 1 . . . . A 9 THR HG21 . 36049 1 16 . 1 1 25 25 THR HG22 H 1 1.211 0.020 . 1 . . . . A 9 THR HG22 . 36049 1 17 . 1 1 25 25 THR HG23 H 1 1.211 0.020 . 1 . . . . A 9 THR HG23 . 36049 1 18 . 1 1 25 25 THR C C 13 172.757 0.3 . 1 . . . . A 9 THR C . 36049 1 19 . 1 1 25 25 THR CA C 13 63.689 0.3 . 1 . . . . A 9 THR CA . 36049 1 20 . 1 1 25 25 THR CB C 13 69.878 0.3 . 1 . . . . A 9 THR CB . 36049 1 21 . 1 1 25 25 THR CG2 C 13 21.852 0.3 . 1 . . . . A 9 THR CG2 . 36049 1 22 . 1 1 25 25 THR N N 15 113.646 0.3 . 1 . . . . A 9 THR N . 36049 1 23 . 1 1 26 26 GLY H H 1 8.361 0.020 . 1 . . . . A 10 GLY H . 36049 1 24 . 1 1 26 26 GLY HA2 H 1 4.035 0.020 . 2 . . . . A 10 GLY HA2 . 36049 1 25 . 1 1 26 26 GLY HA3 H 1 3.885 0.020 . 2 . . . . A 10 GLY HA3 . 36049 1 26 . 1 1 26 26 GLY C C 13 171.923 0.3 . 1 . . . . A 10 GLY C . 36049 1 27 . 1 1 26 26 GLY CA C 13 46.530 0.3 . 1 . . . . A 10 GLY CA . 36049 1 28 . 1 1 26 26 GLY N N 15 109.861 0.3 . 1 . . . . A 10 GLY N . 36049 1 29 . 1 1 27 27 THR H H 1 7.888 0.020 . 1 . . . . A 11 THR H . 36049 1 30 . 1 1 27 27 THR HA H 1 4.220 0.020 . 1 . . . . A 11 THR HA . 36049 1 31 . 1 1 27 27 THR HB H 1 4.190 0.020 . 1 . . . . A 11 THR HB . 36049 1 32 . 1 1 27 27 THR HG21 H 1 1.224 0.020 . 1 . . . . A 11 THR HG21 . 36049 1 33 . 1 1 27 27 THR HG22 H 1 1.224 0.020 . 1 . . . . A 11 THR HG22 . 36049 1 34 . 1 1 27 27 THR HG23 H 1 1.224 0.020 . 1 . . . . A 11 THR HG23 . 36049 1 35 . 1 1 27 27 THR C C 13 171.906 0.3 . 1 . . . . A 11 THR C . 36049 1 36 . 1 1 27 27 THR CA C 13 63.751 0.3 . 1 . . . . A 11 THR CA . 36049 1 37 . 1 1 27 27 THR CB C 13 69.549 0.3 . 1 . . . . A 11 THR CB . 36049 1 38 . 1 1 27 27 THR CG2 C 13 22.103 0.3 . 1 . . . . A 11 THR CG2 . 36049 1 39 . 1 1 27 27 THR N N 15 114.671 0.3 . 1 . . . . A 11 THR N . 36049 1 40 . 1 1 28 28 LEU H H 1 8.120 0.020 . 1 . . . . A 12 LEU H . 36049 1 41 . 1 1 28 28 LEU HA H 1 4.240 0.020 . 1 . . . . A 12 LEU HA . 36049 1 42 . 1 1 28 28 LEU HB2 H 1 1.697 0.020 . 2 . . . . A 12 LEU HB2 . 36049 1 43 . 1 1 28 28 LEU HB3 H 1 1.626 0.020 . 2 . . . . A 12 LEU HB3 . 36049 1 44 . 1 1 28 28 LEU HG H 1 1.599 0.020 . 1 . . . . A 12 LEU HG . 36049 1 45 . 1 1 28 28 LEU HD11 H 1 0.927 0.020 . 2 . . . . A 12 LEU HD11 . 36049 1 46 . 1 1 28 28 LEU HD12 H 1 0.927 0.020 . 2 . . . . A 12 LEU HD12 . 36049 1 47 . 1 1 28 28 LEU HD13 H 1 0.927 0.020 . 2 . . . . A 12 LEU HD13 . 36049 1 48 . 1 1 28 28 LEU HD21 H 1 0.854 0.020 . 2 . . . . A 12 LEU HD21 . 36049 1 49 . 1 1 28 28 LEU HD22 H 1 0.854 0.020 . 2 . . . . A 12 LEU HD22 . 36049 1 50 . 1 1 28 28 LEU HD23 H 1 0.854 0.020 . 2 . . . . A 12 LEU HD23 . 36049 1 51 . 1 1 28 28 LEU C C 13 175.221 0.3 . 1 . . . . A 12 LEU C . 36049 1 52 . 1 1 28 28 LEU CA C 13 57.429 0.3 . 1 . . . . A 12 LEU CA . 36049 1 53 . 1 1 28 28 LEU CB C 13 42.536 0.3 . 1 . . . . A 12 LEU CB . 36049 1 54 . 1 1 28 28 LEU CG C 13 27.293 0.3 . 1 . . . . A 12 LEU CG . 36049 1 55 . 1 1 28 28 LEU CD1 C 13 24.905 0.3 . 1 . . . . A 12 LEU CD1 . 36049 1 56 . 1 1 28 28 LEU CD2 C 13 24.690 0.3 . 1 . . . . A 12 LEU CD2 . 36049 1 57 . 1 1 28 28 LEU N N 15 122.982 0.3 . 1 . . . . A 12 LEU N . 36049 1 58 . 1 1 29 29 ILE H H 1 8.086 0.020 . 1 . . . . A 13 ILE H . 36049 1 59 . 1 1 29 29 ILE HA H 1 3.835 0.020 . 1 . . . . A 13 ILE HA . 36049 1 60 . 1 1 29 29 ILE HB H 1 1.922 0.020 . 1 . . . . A 13 ILE HB . 36049 1 61 . 1 1 29 29 ILE HG12 H 1 1.636 0.020 . 2 . . . . A 13 ILE HG12 . 36049 1 62 . 1 1 29 29 ILE HG13 H 1 1.114 0.020 . 2 . . . . A 13 ILE HG13 . 36049 1 63 . 1 1 29 29 ILE HG21 H 1 0.864 0.020 . 1 . . . . A 13 ILE HG21 . 36049 1 64 . 1 1 29 29 ILE HG22 H 1 0.864 0.020 . 1 . . . . A 13 ILE HG22 . 36049 1 65 . 1 1 29 29 ILE HG23 H 1 0.864 0.020 . 1 . . . . A 13 ILE HG23 . 36049 1 66 . 1 1 29 29 ILE HD11 H 1 0.829 0.020 . 1 . . . . A 13 ILE HD11 . 36049 1 67 . 1 1 29 29 ILE HD12 H 1 0.829 0.020 . 1 . . . . A 13 ILE HD12 . 36049 1 68 . 1 1 29 29 ILE HD13 H 1 0.829 0.020 . 1 . . . . A 13 ILE HD13 . 36049 1 69 . 1 1 29 29 ILE C C 13 173.425 0.3 . 1 . . . . A 13 ILE C . 36049 1 70 . 1 1 29 29 ILE CA C 13 64.040 0.3 . 1 . . . . A 13 ILE CA . 36049 1 71 . 1 1 29 29 ILE CB C 13 37.906 0.3 . 1 . . . . A 13 ILE CB . 36049 1 72 . 1 1 29 29 ILE CG1 C 13 28.720 0.3 . 1 . . . . A 13 ILE CG1 . 36049 1 73 . 1 1 29 29 ILE CG2 C 13 17.676 0.3 . 1 . . . . A 13 ILE CG2 . 36049 1 74 . 1 1 29 29 ILE CD1 C 13 13.152 0.3 . 1 . . . . A 13 ILE CD1 . 36049 1 75 . 1 1 29 29 ILE N N 15 119.918 0.3 . 1 . . . . A 13 ILE N . 36049 1 76 . 1 1 30 30 VAL H H 1 7.853 0.020 . 1 . . . . A 14 VAL H . 36049 1 77 . 1 1 30 30 VAL HA H 1 3.790 0.020 . 1 . . . . A 14 VAL HA . 36049 1 78 . 1 1 30 30 VAL HB H 1 2.084 0.020 . 1 . . . . A 14 VAL HB . 36049 1 79 . 1 1 30 30 VAL HG11 H 1 0.871 0.020 . 2 . . . . A 14 VAL HG11 . 36049 1 80 . 1 1 30 30 VAL HG12 H 1 0.871 0.020 . 2 . . . . A 14 VAL HG12 . 36049 1 81 . 1 1 30 30 VAL HG13 H 1 0.871 0.020 . 2 . . . . A 14 VAL HG13 . 36049 1 82 . 1 1 30 30 VAL HG21 H 1 0.934 0.020 . 2 . . . . A 14 VAL HG21 . 36049 1 83 . 1 1 30 30 VAL HG22 H 1 0.934 0.020 . 2 . . . . A 14 VAL HG22 . 36049 1 84 . 1 1 30 30 VAL HG23 H 1 0.934 0.020 . 2 . . . . A 14 VAL HG23 . 36049 1 85 . 1 1 30 30 VAL C C 13 173.429 0.3 . 1 . . . . A 14 VAL C . 36049 1 86 . 1 1 30 30 VAL CA C 13 65.463 0.3 . 1 . . . . A 14 VAL CA . 36049 1 87 . 1 1 30 30 VAL CB C 13 33.107 0.3 . 1 . . . . A 14 VAL CB . 36049 1 88 . 1 1 30 30 VAL CG1 C 13 21.232 0.3 . 1 . . . . A 14 VAL CG1 . 36049 1 89 . 1 1 30 30 VAL CG2 C 13 21.830 0.3 . 1 . . . . A 14 VAL CG2 . 36049 1 90 . 1 1 30 30 VAL N N 15 119.395 0.3 . 1 . . . . A 14 VAL N . 36049 1 91 . 1 1 31 31 ASN H H 1 7.874 0.020 . 1 . . . . A 15 ASN H . 36049 1 92 . 1 1 31 31 ASN HA H 1 4.549 0.020 . 1 . . . . A 15 ASN HA . 36049 1 93 . 1 1 31 31 ASN HB2 H 1 2.895 0.020 . 2 . . . . A 15 ASN HB2 . 36049 1 94 . 1 1 31 31 ASN HB3 H 1 2.719 0.020 . 2 . . . . A 15 ASN HB3 . 36049 1 95 . 1 1 31 31 ASN HD21 H 1 7.539 0.020 . 1 . . . . A 15 ASN HD21 . 36049 1 96 . 1 1 31 31 ASN HD22 H 1 6.699 0.020 . 1 . . . . A 15 ASN HD22 . 36049 1 97 . 1 1 31 31 ASN C C 13 173.619 0.3 . 1 . . . . A 15 ASN C . 36049 1 98 . 1 1 31 31 ASN CA C 13 58.628 0.3 . 1 . . . . A 15 ASN CA . 36049 1 99 . 1 1 31 31 ASN CB C 13 38.884 0.3 . 1 . . . . A 15 ASN CB . 36049 1 100 . 1 1 31 31 ASN N N 15 119.249 0.3 . 1 . . . . A 15 ASN N . 36049 1 101 . 1 1 31 31 ASN ND2 N 15 112.233 0.3 . 1 . . . . A 15 ASN ND2 . 36049 1 102 . 1 1 32 32 SER H H 1 8.181 0.020 . 1 . . . . A 16 SER H . 36049 1 103 . 1 1 32 32 SER HA H 1 4.095 0.020 . 1 . . . . A 16 SER HA . 36049 1 104 . 1 1 32 32 SER HB2 H 1 3.795 0.020 . 1 . . . . A 16 SER HB2 . 36049 1 105 . 1 1 32 32 SER HB3 H 1 3.795 0.020 . 1 . . . . A 16 SER HB3 . 36049 1 106 . 1 1 32 32 SER CA C 13 62.934 0.3 . 1 . . . . A 16 SER CA . 36049 1 107 . 1 1 32 32 SER CB C 13 63.752 0.3 . 1 . . . . A 16 SER CB . 36049 1 108 . 1 1 32 32 SER N N 15 116.184 0.3 . 1 . . . . A 16 SER N . 36049 1 109 . 1 1 33 33 VAL H H 1 8.063 0.020 . 1 . . . . A 17 VAL H . 36049 1 110 . 1 1 33 33 VAL HA H 1 3.716 0.020 . 1 . . . . A 17 VAL HA . 36049 1 111 . 1 1 33 33 VAL HB H 1 2.261 0.020 . 1 . . . . A 17 VAL HB . 36049 1 112 . 1 1 33 33 VAL HG11 H 1 1.067 0.020 . 2 . . . . A 17 VAL HG11 . 36049 1 113 . 1 1 33 33 VAL HG12 H 1 1.067 0.020 . 2 . . . . A 17 VAL HG12 . 36049 1 114 . 1 1 33 33 VAL HG13 H 1 1.067 0.020 . 2 . . . . A 17 VAL HG13 . 36049 1 115 . 1 1 33 33 VAL HG21 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG21 . 36049 1 116 . 1 1 33 33 VAL HG22 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG22 . 36049 1 117 . 1 1 33 33 VAL HG23 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG23 . 36049 1 118 . 1 1 33 33 VAL C C 13 174.474 0.3 . 1 . . . . A 17 VAL C . 36049 1 119 . 1 1 33 33 VAL CA C 13 66.889 0.3 . 1 . . . . A 17 VAL CA . 36049 1 120 . 1 1 33 33 VAL CB C 13 31.531 0.3 . 1 . . . . A 17 VAL CB . 36049 1 121 . 1 1 33 33 VAL CG1 C 13 23.257 0.3 . 1 . . . . A 17 VAL CG1 . 36049 1 122 . 1 1 33 33 VAL CG2 C 13 21.471 0.3 . 1 . . . . A 17 VAL CG2 . 36049 1 123 . 1 1 33 33 VAL N N 15 121.564 0.3 . 1 . . . . A 17 VAL N . 36049 1 124 . 1 1 34 34 LEU H H 1 8.098 0.020 . 1 . . . . A 18 LEU H . 36049 1 125 . 1 1 34 34 LEU HA H 1 4.045 0.020 . 1 . . . . A 18 LEU HA . 36049 1 126 . 1 1 34 34 LEU HB2 H 1 1.867 0.020 . 2 . . . . A 18 LEU HB2 . 36049 1 127 . 1 1 34 34 LEU HB3 H 1 1.472 0.020 . 2 . . . . A 18 LEU HB3 . 36049 1 128 . 1 1 34 34 LEU HG H 1 1.919 0.020 . 1 . . . . A 18 LEU HG . 36049 1 129 . 1 1 34 34 LEU HD11 H 1 0.950 0.020 . 2 . . . . A 18 LEU HD11 . 36049 1 130 . 1 1 34 34 LEU HD12 H 1 0.950 0.020 . 2 . . . . A 18 LEU HD12 . 36049 1 131 . 1 1 34 34 LEU HD13 H 1 0.950 0.020 . 2 . . . . A 18 LEU HD13 . 36049 1 132 . 1 1 34 34 LEU HD21 H 1 0.900 0.020 . 2 . . . . A 18 LEU HD21 . 36049 1 133 . 1 1 34 34 LEU HD22 H 1 0.900 0.020 . 2 . . . . A 18 LEU HD22 . 36049 1 134 . 1 1 34 34 LEU HD23 H 1 0.900 0.020 . 2 . . . . A 18 LEU HD23 . 36049 1 135 . 1 1 34 34 LEU C C 13 175.511 0.3 . 1 . . . . A 18 LEU C . 36049 1 136 . 1 1 34 34 LEU CA C 13 58.421 0.3 . 1 . . . . A 18 LEU CA . 36049 1 137 . 1 1 34 34 LEU CB C 13 41.856 0.3 . 1 . . . . A 18 LEU CB . 36049 1 138 . 1 1 34 34 LEU CG C 13 26.999 0.3 . 1 . . . . A 18 LEU CG . 36049 1 139 . 1 1 34 34 LEU CD1 C 13 25.848 0.3 . 1 . . . . A 18 LEU CD1 . 36049 1 140 . 1 1 34 34 LEU CD2 C 13 23.382 0.3 . 1 . . . . A 18 LEU CD2 . 36049 1 141 . 1 1 34 34 LEU N N 15 118.739 0.3 . 1 . . . . A 18 LEU N . 36049 1 142 . 1 1 35 35 LEU H H 1 7.990 0.020 . 1 . . . . A 19 LEU H . 36049 1 143 . 1 1 35 35 LEU HA H 1 4.016 0.020 . 1 . . . . A 19 LEU HA . 36049 1 144 . 1 1 35 35 LEU HB2 H 1 1.839 0.020 . 2 . . . . A 19 LEU HB2 . 36049 1 145 . 1 1 35 35 LEU HB3 H 1 1.507 0.020 . 2 . . . . A 19 LEU HB3 . 36049 1 146 . 1 1 35 35 LEU HG H 1 1.757 0.020 . 1 . . . . A 19 LEU HG . 36049 1 147 . 1 1 35 35 LEU HD11 H 1 0.859 0.020 . 1 . . . . A 19 LEU HD11 . 36049 1 148 . 1 1 35 35 LEU HD12 H 1 0.859 0.020 . 1 . . . . A 19 LEU HD12 . 36049 1 149 . 1 1 35 35 LEU HD13 H 1 0.859 0.020 . 1 . . . . A 19 LEU HD13 . 36049 1 150 . 1 1 35 35 LEU C C 13 175.156 0.3 . 1 . . . . A 19 LEU C . 36049 1 151 . 1 1 35 35 LEU CA C 13 58.247 0.3 . 1 . . . . A 19 LEU CA . 36049 1 152 . 1 1 35 35 LEU CB C 13 41.843 0.3 . 1 . . . . A 19 LEU CB . 36049 1 153 . 1 1 35 35 LEU CG C 13 27.218 0.3 . 1 . . . . A 19 LEU CG . 36049 1 154 . 1 1 35 35 LEU CD1 C 13 25.968 0.3 . 1 . . . . A 19 LEU CD1 . 36049 1 155 . 1 1 35 35 LEU CD2 C 13 23.240 0.3 . 1 . . . . A 19 LEU CD2 . 36049 1 156 . 1 1 35 35 LEU N N 15 117.945 0.3 . 1 . . . . A 19 LEU N . 36049 1 157 . 1 1 36 36 PHE H H 1 8.242 0.020 . 1 . . . . A 20 PHE H . 36049 1 158 . 1 1 36 36 PHE HA H 1 4.234 0.020 . 1 . . . . A 20 PHE HA . 36049 1 159 . 1 1 36 36 PHE HB2 H 1 3.298 0.020 . 2 . . . . A 20 PHE HB2 . 36049 1 160 . 1 1 36 36 PHE HB3 H 1 3.233 0.020 . 2 . . . . A 20 PHE HB3 . 36049 1 161 . 1 1 36 36 PHE HD1 H 1 7.076 0.020 . 1 . . . . A 20 PHE HD1 . 36049 1 162 . 1 1 36 36 PHE HD2 H 1 7.076 0.020 . 1 . . . . A 20 PHE HD2 . 36049 1 163 . 1 1 36 36 PHE HE1 H 1 6.965 0.020 . 1 . . . . A 20 PHE HE1 . 36049 1 164 . 1 1 36 36 PHE HE2 H 1 6.965 0.020 . 1 . . . . A 20 PHE HE2 . 36049 1 165 . 1 1 36 36 PHE C C 13 174.260 0.3 . 1 . . . . A 20 PHE C . 36049 1 166 . 1 1 36 36 PHE CA C 13 61.746 0.3 . 1 . . . . A 20 PHE CA . 36049 1 167 . 1 1 36 36 PHE CB C 13 39.333 0.3 . 1 . . . . A 20 PHE CB . 36049 1 168 . 1 1 36 36 PHE CD1 C 13 131.983 0.3 . 1 . . . . A 20 PHE CD1 . 36049 1 169 . 1 1 36 36 PHE CD2 C 13 131.983 0.3 . 1 . . . . A 20 PHE CD2 . 36049 1 170 . 1 1 36 36 PHE CE1 C 13 131.000 0.3 . 1 . . . . A 20 PHE CE1 . 36049 1 171 . 1 1 36 36 PHE CE2 C 13 131.000 0.3 . 1 . . . . A 20 PHE CE2 . 36049 1 172 . 1 1 36 36 PHE N N 15 118.522 0.3 . 1 . . . . A 20 PHE N . 36049 1 173 . 1 1 37 37 LEU H H 1 8.619 0.020 . 1 . . . . A 21 LEU H . 36049 1 174 . 1 1 37 37 LEU HA H 1 3.851 0.020 . 1 . . . . A 21 LEU HA . 36049 1 175 . 1 1 37 37 LEU HB2 H 1 1.963 0.020 . 2 . . . . A 21 LEU HB2 . 36049 1 176 . 1 1 37 37 LEU HB3 H 1 1.498 0.020 . 2 . . . . A 21 LEU HB3 . 36049 1 177 . 1 1 37 37 LEU HG H 1 1.990 0.020 . 1 . . . . A 21 LEU HG . 36049 1 178 . 1 1 37 37 LEU HD11 H 1 0.882 0.020 . 2 . . . . A 21 LEU HD11 . 36049 1 179 . 1 1 37 37 LEU HD12 H 1 0.882 0.020 . 2 . . . . A 21 LEU HD12 . 36049 1 180 . 1 1 37 37 LEU HD13 H 1 0.882 0.020 . 2 . . . . A 21 LEU HD13 . 36049 1 181 . 1 1 37 37 LEU HD21 H 1 0.858 0.020 . 2 . . . . A 21 LEU HD21 . 36049 1 182 . 1 1 37 37 LEU HD22 H 1 0.858 0.020 . 2 . . . . A 21 LEU HD22 . 36049 1 183 . 1 1 37 37 LEU HD23 H 1 0.858 0.020 . 2 . . . . A 21 LEU HD23 . 36049 1 184 . 1 1 37 37 LEU C C 13 175.324 0.3 . 1 . . . . A 21 LEU C . 36049 1 185 . 1 1 37 37 LEU CA C 13 58.251 0.3 . 1 . . . . A 21 LEU CA . 36049 1 186 . 1 1 37 37 LEU CB C 13 41.756 0.3 . 1 . . . . A 21 LEU CB . 36049 1 187 . 1 1 37 37 LEU CG C 13 26.795 0.3 . 1 . . . . A 21 LEU CG . 36049 1 188 . 1 1 37 37 LEU CD1 C 13 25.373 0.3 . 1 . . . . A 21 LEU CD1 . 36049 1 189 . 1 1 37 37 LEU CD2 C 13 23.400 0.3 . 1 . . . . A 21 LEU CD2 . 36049 1 190 . 1 1 37 37 LEU N N 15 117.995 0.3 . 1 . . . . A 21 LEU N . 36049 1 191 . 1 1 38 38 ALA H H 1 8.422 0.020 . 1 . . . . A 22 ALA H . 36049 1 192 . 1 1 38 38 ALA HA H 1 3.825 0.020 . 1 . . . . A 22 ALA HA . 36049 1 193 . 1 1 38 38 ALA HB1 H 1 1.460 0.020 . 1 . . . . A 22 ALA HB1 . 36049 1 194 . 1 1 38 38 ALA HB2 H 1 1.460 0.020 . 1 . . . . A 22 ALA HB2 . 36049 1 195 . 1 1 38 38 ALA HB3 H 1 1.460 0.020 . 1 . . . . A 22 ALA HB3 . 36049 1 196 . 1 1 38 38 ALA C C 13 175.697 0.3 . 1 . . . . A 22 ALA C . 36049 1 197 . 1 1 38 38 ALA CA C 13 55.654 0.3 . 1 . . . . A 22 ALA CA . 36049 1 198 . 1 1 38 38 ALA CB C 13 17.871 0.3 . 1 . . . . A 22 ALA CB . 36049 1 199 . 1 1 38 38 ALA N N 15 120.244 0.3 . 1 . . . . A 22 ALA N . 36049 1 200 . 1 1 39 39 PHE H H 1 8.237 0.020 . 1 . . . . A 23 PHE H . 36049 1 201 . 1 1 39 39 PHE HA H 1 4.162 0.020 . 1 . . . . A 23 PHE HA . 36049 1 202 . 1 1 39 39 PHE HB2 H 1 3.268 0.020 . 2 . . . . A 23 PHE HB2 . 36049 1 203 . 1 1 39 39 PHE HB3 H 1 3.145 0.020 . 2 . . . . A 23 PHE HB3 . 36049 1 204 . 1 1 39 39 PHE HD1 H 1 7.024 0.020 . 1 . . . . A 23 PHE HD1 . 36049 1 205 . 1 1 39 39 PHE HD2 H 1 7.024 0.020 . 1 . . . . A 23 PHE HD2 . 36049 1 206 . 1 1 39 39 PHE HE1 H 1 6.985 0.020 . 1 . . . . A 23 PHE HE1 . 36049 1 207 . 1 1 39 39 PHE HE2 H 1 6.985 0.020 . 1 . . . . A 23 PHE HE2 . 36049 1 208 . 1 1 39 39 PHE C C 13 173.859 0.3 . 1 . . . . A 23 PHE C . 36049 1 209 . 1 1 39 39 PHE CA C 13 61.479 0.3 . 1 . . . . A 23 PHE CA . 36049 1 210 . 1 1 39 39 PHE CB C 13 38.853 0.3 . 1 . . . . A 23 PHE CB . 36049 1 211 . 1 1 39 39 PHE CD1 C 13 131.456 0.3 . 1 . . . . A 23 PHE CD1 . 36049 1 212 . 1 1 39 39 PHE CD2 C 13 131.456 0.3 . 1 . . . . A 23 PHE CD2 . 36049 1 213 . 1 1 39 39 PHE CE1 C 13 129.290 0.3 . 1 . . . . A 23 PHE CE1 . 36049 1 214 . 1 1 39 39 PHE CE2 C 13 129.290 0.3 . 1 . . . . A 23 PHE CE2 . 36049 1 215 . 1 1 39 39 PHE N N 15 117.202 0.3 . 1 . . . . A 23 PHE N . 36049 1 216 . 1 1 40 40 VAL H H 1 8.227 0.020 . 1 . . . . A 24 VAL H . 36049 1 217 . 1 1 40 40 VAL HA H 1 3.184 0.020 . 1 . . . . A 24 VAL HA . 36049 1 218 . 1 1 40 40 VAL HB H 1 2.061 0.020 . 1 . . . . A 24 VAL HB . 36049 1 219 . 1 1 40 40 VAL HG11 H 1 0.726 0.020 . 2 . . . . A 24 VAL HG11 . 36049 1 220 . 1 1 40 40 VAL HG12 H 1 0.726 0.020 . 2 . . . . A 24 VAL HG12 . 36049 1 221 . 1 1 40 40 VAL HG13 H 1 0.726 0.020 . 2 . . . . A 24 VAL HG13 . 36049 1 222 . 1 1 40 40 VAL HG21 H 1 0.626 0.020 . 2 . . . . A 24 VAL HG21 . 36049 1 223 . 1 1 40 40 VAL HG22 H 1 0.626 0.020 . 2 . . . . A 24 VAL HG22 . 36049 1 224 . 1 1 40 40 VAL HG23 H 1 0.626 0.020 . 2 . . . . A 24 VAL HG23 . 36049 1 225 . 1 1 40 40 VAL C C 13 174.684 0.3 . 1 . . . . A 24 VAL C . 36049 1 226 . 1 1 40 40 VAL CA C 13 67.368 0.3 . 1 . . . . A 24 VAL CA . 36049 1 227 . 1 1 40 40 VAL CB C 13 31.106 0.3 . 1 . . . . A 24 VAL CB . 36049 1 228 . 1 1 40 40 VAL CG1 C 13 21.367 0.3 . 1 . . . . A 24 VAL CG1 . 36049 1 229 . 1 1 40 40 VAL CG2 C 13 23.108 0.3 . 1 . . . . A 24 VAL CG2 . 36049 1 230 . 1 1 40 40 VAL N N 15 118.708 0.3 . 1 . . . . A 24 VAL N . 36049 1 231 . 1 1 41 41 VAL H H 1 8.306 0.020 . 1 . . . . A 25 VAL H . 36049 1 232 . 1 1 41 41 VAL HA H 1 3.385 0.020 . 1 . . . . A 25 VAL HA . 36049 1 233 . 1 1 41 41 VAL HB H 1 2.144 0.020 . 1 . . . . A 25 VAL HB . 36049 1 234 . 1 1 41 41 VAL HG11 H 1 0.777 0.020 . 2 . . . . A 25 VAL HG11 . 36049 1 235 . 1 1 41 41 VAL HG12 H 1 0.777 0.020 . 2 . . . . A 25 VAL HG12 . 36049 1 236 . 1 1 41 41 VAL HG13 H 1 0.777 0.020 . 2 . . . . A 25 VAL HG13 . 36049 1 237 . 1 1 41 41 VAL HG21 H 1 0.942 0.020 . 2 . . . . A 25 VAL HG21 . 36049 1 238 . 1 1 41 41 VAL HG22 H 1 0.942 0.020 . 2 . . . . A 25 VAL HG22 . 36049 1 239 . 1 1 41 41 VAL HG23 H 1 0.942 0.020 . 2 . . . . A 25 VAL HG23 . 36049 1 240 . 1 1 41 41 VAL C C 13 174.244 0.3 . 1 . . . . A 25 VAL C . 36049 1 241 . 1 1 41 41 VAL CA C 13 67.831 0.3 . 1 . . . . A 25 VAL CA . 36049 1 242 . 1 1 41 41 VAL CB C 13 30.907 0.3 . 1 . . . . A 25 VAL CB . 36049 1 243 . 1 1 41 41 VAL CG1 C 13 21.660 0.3 . 1 . . . . A 25 VAL CG1 . 36049 1 244 . 1 1 41 41 VAL CG2 C 13 23.353 0.3 . 1 . . . . A 25 VAL CG2 . 36049 1 245 . 1 1 41 41 VAL N N 15 118.776 0.3 . 1 . . . . A 25 VAL N . 36049 1 246 . 1 1 42 42 PHE H H 1 8.477 0.020 . 1 . . . . A 26 PHE H . 36049 1 247 . 1 1 42 42 PHE HA H 1 3.974 0.020 . 1 . . . . A 26 PHE HA . 36049 1 248 . 1 1 42 42 PHE HB2 H 1 3.187 0.020 . 2 . . . . A 26 PHE HB2 . 36049 1 249 . 1 1 42 42 PHE HB3 H 1 3.064 0.020 . 2 . . . . A 26 PHE HB3 . 36049 1 250 . 1 1 42 42 PHE HD1 H 1 6.926 0.020 . 1 . . . . A 26 PHE HD1 . 36049 1 251 . 1 1 42 42 PHE HD2 H 1 6.926 0.020 . 1 . . . . A 26 PHE HD2 . 36049 1 252 . 1 1 42 42 PHE HE1 H 1 6.856 0.020 . 1 . . . . A 26 PHE HE1 . 36049 1 253 . 1 1 42 42 PHE HE2 H 1 6.856 0.020 . 1 . . . . A 26 PHE HE2 . 36049 1 254 . 1 1 42 42 PHE C C 13 175.371 0.3 . 1 . . . . A 26 PHE C . 36049 1 255 . 1 1 42 42 PHE CA C 13 61.640 0.3 . 1 . . . . A 26 PHE CA . 36049 1 256 . 1 1 42 42 PHE CB C 13 38.760 0.3 . 1 . . . . A 26 PHE CB . 36049 1 257 . 1 1 42 42 PHE CD1 C 13 132.001 0.3 . 1 . . . . A 26 PHE CD1 . 36049 1 258 . 1 1 42 42 PHE CD2 C 13 132.001 0.3 . 1 . . . . A 26 PHE CD2 . 36049 1 259 . 1 1 42 42 PHE N N 15 119.199 0.3 . 1 . . . . A 26 PHE N . 36049 1 260 . 1 1 43 43 LEU H H 1 8.517 0.020 . 1 . . . . A 27 LEU H . 36049 1 261 . 1 1 43 43 LEU HA H 1 3.601 0.020 . 1 . . . . A 27 LEU HA . 36049 1 262 . 1 1 43 43 LEU HB2 H 1 1.471 0.020 . 2 . . . . A 27 LEU HB2 . 36049 1 263 . 1 1 43 43 LEU HB3 H 1 1.337 0.020 . 2 . . . . A 27 LEU HB3 . 36049 1 264 . 1 1 43 43 LEU HG H 1 1.445 0.020 . 1 . . . . A 27 LEU HG . 36049 1 265 . 1 1 43 43 LEU HD11 H 1 0.635 0.020 . 2 . . . . A 27 LEU HD11 . 36049 1 266 . 1 1 43 43 LEU HD12 H 1 0.635 0.020 . 2 . . . . A 27 LEU HD12 . 36049 1 267 . 1 1 43 43 LEU HD13 H 1 0.635 0.020 . 2 . . . . A 27 LEU HD13 . 36049 1 268 . 1 1 43 43 LEU HD21 H 1 0.672 0.020 . 2 . . . . A 27 LEU HD21 . 36049 1 269 . 1 1 43 43 LEU HD22 H 1 0.672 0.020 . 2 . . . . A 27 LEU HD22 . 36049 1 270 . 1 1 43 43 LEU HD23 H 1 0.672 0.020 . 2 . . . . A 27 LEU HD23 . 36049 1 271 . 1 1 43 43 LEU C C 13 175.256 0.3 . 1 . . . . A 27 LEU C . 36049 1 272 . 1 1 43 43 LEU CA C 13 58.294 0.3 . 1 . . . . A 27 LEU CA . 36049 1 273 . 1 1 43 43 LEU CB C 13 41.564 0.3 . 1 . . . . A 27 LEU CB . 36049 1 274 . 1 1 43 43 LEU CG C 13 26.419 0.3 . 1 . . . . A 27 LEU CG . 36049 1 275 . 1 1 43 43 LEU CD1 C 13 24.613 0.3 . 1 . . . . A 27 LEU CD1 . 36049 1 276 . 1 1 43 43 LEU CD2 C 13 23.913 0.3 . 1 . . . . A 27 LEU CD2 . 36049 1 277 . 1 1 43 43 LEU N N 15 121.912 0.3 . 1 . . . . A 27 LEU N . 36049 1 278 . 1 1 44 44 LEU H H 1 8.317 0.020 . 1 . . . . A 28 LEU H . 36049 1 279 . 1 1 44 44 LEU HA H 1 3.861 0.020 . 1 . . . . A 28 LEU HA . 36049 1 280 . 1 1 44 44 LEU HB2 H 1 1.808 0.020 . 2 . . . . A 28 LEU HB2 . 36049 1 281 . 1 1 44 44 LEU HB3 H 1 1.249 0.020 . 2 . . . . A 28 LEU HB3 . 36049 1 282 . 1 1 44 44 LEU HG H 1 1.765 0.020 . 1 . . . . A 28 LEU HG . 36049 1 283 . 1 1 44 44 LEU HD11 H 1 0.734 0.020 . 2 . . . . A 28 LEU HD11 . 36049 1 284 . 1 1 44 44 LEU HD12 H 1 0.734 0.020 . 2 . . . . A 28 LEU HD12 . 36049 1 285 . 1 1 44 44 LEU HD13 H 1 0.734 0.020 . 2 . . . . A 28 LEU HD13 . 36049 1 286 . 1 1 44 44 LEU HD21 H 1 0.714 0.020 . 2 . . . . A 28 LEU HD21 . 36049 1 287 . 1 1 44 44 LEU HD22 H 1 0.714 0.020 . 2 . . . . A 28 LEU HD22 . 36049 1 288 . 1 1 44 44 LEU HD23 H 1 0.714 0.020 . 2 . . . . A 28 LEU HD23 . 36049 1 289 . 1 1 44 44 LEU C C 13 175.881 0.3 . 1 . . . . A 28 LEU C . 36049 1 290 . 1 1 44 44 LEU CA C 13 58.449 0.3 . 1 . . . . A 28 LEU CA . 36049 1 291 . 1 1 44 44 LEU CB C 13 41.760 0.3 . 1 . . . . A 28 LEU CB . 36049 1 292 . 1 1 44 44 LEU CG C 13 26.660 0.3 . 1 . . . . A 28 LEU CG . 36049 1 293 . 1 1 44 44 LEU CD1 C 13 25.316 0.3 . 1 . . . . A 28 LEU CD1 . 36049 1 294 . 1 1 44 44 LEU CD2 C 13 22.980 0.3 . 1 . . . . A 28 LEU CD2 . 36049 1 295 . 1 1 44 44 LEU N N 15 118.766 0.3 . 1 . . . . A 28 LEU N . 36049 1 296 . 1 1 45 45 VAL H H 1 8.511 0.020 . 1 . . . . A 29 VAL H . 36049 1 297 . 1 1 45 45 VAL HA H 1 3.404 0.020 . 1 . . . . A 29 VAL HA . 36049 1 298 . 1 1 45 45 VAL HB H 1 2.049 0.020 . 1 . . . . A 29 VAL HB . 36049 1 299 . 1 1 45 45 VAL HG11 H 1 0.798 0.020 . 2 . . . . A 29 VAL HG11 . 36049 1 300 . 1 1 45 45 VAL HG12 H 1 0.798 0.020 . 2 . . . . A 29 VAL HG12 . 36049 1 301 . 1 1 45 45 VAL HG13 H 1 0.798 0.020 . 2 . . . . A 29 VAL HG13 . 36049 1 302 . 1 1 45 45 VAL HG21 H 1 0.920 0.020 . 2 . . . . A 29 VAL HG21 . 36049 1 303 . 1 1 45 45 VAL HG22 H 1 0.920 0.020 . 2 . . . . A 29 VAL HG22 . 36049 1 304 . 1 1 45 45 VAL HG23 H 1 0.920 0.020 . 2 . . . . A 29 VAL HG23 . 36049 1 305 . 1 1 45 45 VAL C C 13 174.734 0.3 . 1 . . . . A 29 VAL C . 36049 1 306 . 1 1 45 45 VAL CA C 13 67.098 0.3 . 1 . . . . A 29 VAL CA . 36049 1 307 . 1 1 45 45 VAL CB C 13 31.164 0.3 . 1 . . . . A 29 VAL CB . 36049 1 308 . 1 1 45 45 VAL CG1 C 13 21.232 0.3 . 1 . . . . A 29 VAL CG1 . 36049 1 309 . 1 1 45 45 VAL CG2 C 13 22.929 0.3 . 1 . . . . A 29 VAL CG2 . 36049 1 310 . 1 1 45 45 VAL N N 15 117.842 0.3 . 1 . . . . A 29 VAL N . 36049 1 311 . 1 1 46 46 THR H H 1 7.982 0.020 . 1 . . . . A 30 THR H . 36049 1 312 . 1 1 46 46 THR HA H 1 3.506 0.020 . 1 . . . . A 30 THR HA . 36049 1 313 . 1 1 46 46 THR HB H 1 3.973 0.020 . 1 . . . . A 30 THR HB . 36049 1 314 . 1 1 46 46 THR HG21 H 1 0.906 0.020 . 1 . . . . A 30 THR HG21 . 36049 1 315 . 1 1 46 46 THR HG22 H 1 0.906 0.020 . 1 . . . . A 30 THR HG22 . 36049 1 316 . 1 1 46 46 THR HG23 H 1 0.906 0.020 . 1 . . . . A 30 THR HG23 . 36049 1 317 . 1 1 46 46 THR CA C 13 68.556 0.3 . 1 . . . . A 30 THR CA . 36049 1 318 . 1 1 46 46 THR CB C 13 67.282 0.3 . 1 . . . . A 30 THR CB . 36049 1 319 . 1 1 46 46 THR CG2 C 13 21.405 0.3 . 1 . . . . A 30 THR CG2 . 36049 1 320 . 1 1 46 46 THR N N 15 116.709 0.3 . 1 . . . . A 30 THR N . 36049 1 321 . 1 1 47 47 LEU H H 1 8.413 0.020 . 1 . . . . A 31 LEU H . 36049 1 322 . 1 1 47 47 LEU HA H 1 3.918 0.020 . 1 . . . . A 31 LEU HA . 36049 1 323 . 1 1 47 47 LEU HB2 H 1 1.813 0.020 . 2 . . . . A 31 LEU HB2 . 36049 1 324 . 1 1 47 47 LEU HB3 H 1 1.409 0.020 . 2 . . . . A 31 LEU HB3 . 36049 1 325 . 1 1 47 47 LEU HG H 1 1.755 0.020 . 1 . . . . A 31 LEU HG . 36049 1 326 . 1 1 47 47 LEU HD11 H 1 0.782 0.020 . 2 . . . . A 31 LEU HD11 . 36049 1 327 . 1 1 47 47 LEU HD12 H 1 0.782 0.020 . 2 . . . . A 31 LEU HD12 . 36049 1 328 . 1 1 47 47 LEU HD13 H 1 0.782 0.020 . 2 . . . . A 31 LEU HD13 . 36049 1 329 . 1 1 47 47 LEU HD21 H 1 0.773 0.020 . 2 . . . . A 31 LEU HD21 . 36049 1 330 . 1 1 47 47 LEU HD22 H 1 0.773 0.020 . 2 . . . . A 31 LEU HD22 . 36049 1 331 . 1 1 47 47 LEU HD23 H 1 0.773 0.020 . 2 . . . . A 31 LEU HD23 . 36049 1 332 . 1 1 47 47 LEU C C 13 177.164 0.3 . 1 . . . . A 31 LEU C . 36049 1 333 . 1 1 47 47 LEU CA C 13 58.142 0.3 . 1 . . . . A 31 LEU CA . 36049 1 334 . 1 1 47 47 LEU CB C 13 41.822 0.3 . 1 . . . . A 31 LEU CB . 36049 1 335 . 1 1 47 47 LEU CG C 13 26.824 0.3 . 1 . . . . A 31 LEU CG . 36049 1 336 . 1 1 47 47 LEU CD1 C 13 24.708 0.3 . 1 . . . . A 31 LEU CD1 . 36049 1 337 . 1 1 47 47 LEU CD2 C 13 23.750 0.3 . 1 . . . . A 31 LEU CD2 . 36049 1 338 . 1 1 47 47 LEU N N 15 120.017 0.3 . 1 . . . . A 31 LEU N . 36049 1 339 . 1 1 48 48 ALA H H 1 8.548 0.020 . 1 . . . . A 32 ALA H . 36049 1 340 . 1 1 48 48 ALA HA H 1 3.900 0.020 . 1 . . . . A 32 ALA HA . 36049 1 341 . 1 1 48 48 ALA HB1 H 1 1.472 0.020 . 1 . . . . A 32 ALA HB1 . 36049 1 342 . 1 1 48 48 ALA HB2 H 1 1.472 0.020 . 1 . . . . A 32 ALA HB2 . 36049 1 343 . 1 1 48 48 ALA HB3 H 1 1.472 0.020 . 1 . . . . A 32 ALA HB3 . 36049 1 344 . 1 1 48 48 ALA C C 13 175.968 0.3 . 1 . . . . A 32 ALA C . 36049 1 345 . 1 1 48 48 ALA CA C 13 55.901 0.3 . 1 . . . . A 32 ALA CA . 36049 1 346 . 1 1 48 48 ALA CB C 13 18.046 0.3 . 1 . . . . A 32 ALA CB . 36049 1 347 . 1 1 48 48 ALA N N 15 124.261 0.3 . 1 . . . . A 32 ALA N . 36049 1 348 . 1 1 49 49 ILE H H 1 8.351 0.020 . 1 . . . . A 33 ILE H . 36049 1 349 . 1 1 49 49 ILE HA H 1 3.546 0.020 . 1 . . . . A 33 ILE HA . 36049 1 350 . 1 1 49 49 ILE HB H 1 1.966 0.020 . 1 . . . . A 33 ILE HB . 36049 1 351 . 1 1 49 49 ILE HG12 H 1 1.886 0.020 . 2 . . . . A 33 ILE HG12 . 36049 1 352 . 1 1 49 49 ILE HG13 H 1 0.950 0.020 . 2 . . . . A 33 ILE HG13 . 36049 1 353 . 1 1 49 49 ILE HG21 H 1 0.842 0.020 . 1 . . . . A 33 ILE HG21 . 36049 1 354 . 1 1 49 49 ILE HG22 H 1 0.842 0.020 . 1 . . . . A 33 ILE HG22 . 36049 1 355 . 1 1 49 49 ILE HG23 H 1 0.842 0.020 . 1 . . . . A 33 ILE HG23 . 36049 1 356 . 1 1 49 49 ILE HD11 H 1 0.751 0.020 . 1 . . . . A 33 ILE HD11 . 36049 1 357 . 1 1 49 49 ILE HD12 H 1 0.751 0.020 . 1 . . . . A 33 ILE HD12 . 36049 1 358 . 1 1 49 49 ILE HD13 H 1 0.751 0.020 . 1 . . . . A 33 ILE HD13 . 36049 1 359 . 1 1 49 49 ILE C C 13 175.004 0.3 . 1 . . . . A 33 ILE C . 36049 1 360 . 1 1 49 49 ILE CA C 13 65.740 0.3 . 1 . . . . A 33 ILE CA . 36049 1 361 . 1 1 49 49 ILE CB C 13 37.683 0.3 . 1 . . . . A 33 ILE CB . 36049 1 362 . 1 1 49 49 ILE CG1 C 13 29.438 0.3 . 1 . . . . A 33 ILE CG1 . 36049 1 363 . 1 1 49 49 ILE CG2 C 13 17.451 0.3 . 1 . . . . A 33 ILE CG2 . 36049 1 364 . 1 1 49 49 ILE CD1 C 13 13.765 0.3 . 1 . . . . A 33 ILE CD1 . 36049 1 365 . 1 1 49 49 ILE N N 15 118.113 0.3 . 1 . . . . A 33 ILE N . 36049 1 366 . 1 1 50 50 LEU H H 1 8.509 0.020 . 1 . . . . A 34 LEU H . 36049 1 367 . 1 1 50 50 LEU HA H 1 3.927 0.020 . 1 . . . . A 34 LEU HA . 36049 1 368 . 1 1 50 50 LEU HB2 H 1 1.901 0.020 . 2 . . . . A 34 LEU HB2 . 36049 1 369 . 1 1 50 50 LEU HB3 H 1 1.431 0.020 . 2 . . . . A 34 LEU HB3 . 36049 1 370 . 1 1 50 50 LEU HG H 1 1.836 0.020 . 1 . . . . A 34 LEU HG . 36049 1 371 . 1 1 50 50 LEU HD11 H 1 0.808 0.020 . 2 . . . . A 34 LEU HD11 . 36049 1 372 . 1 1 50 50 LEU HD12 H 1 0.808 0.020 . 2 . . . . A 34 LEU HD12 . 36049 1 373 . 1 1 50 50 LEU HD13 H 1 0.808 0.020 . 2 . . . . A 34 LEU HD13 . 36049 1 374 . 1 1 50 50 LEU HD21 H 1 0.831 0.020 . 2 . . . . A 34 LEU HD21 . 36049 1 375 . 1 1 50 50 LEU HD22 H 1 0.831 0.020 . 2 . . . . A 34 LEU HD22 . 36049 1 376 . 1 1 50 50 LEU HD23 H 1 0.831 0.020 . 2 . . . . A 34 LEU HD23 . 36049 1 377 . 1 1 50 50 LEU C C 13 176.439 0.3 . 1 . . . . A 34 LEU C . 36049 1 378 . 1 1 50 50 LEU CA C 13 58.461 0.3 . 1 . . . . A 34 LEU CA . 36049 1 379 . 1 1 50 50 LEU CB C 13 41.884 0.3 . 1 . . . . A 34 LEU CB . 36049 1 380 . 1 1 50 50 LEU CG C 13 26.750 0.3 . 1 . . . . A 34 LEU CG . 36049 1 381 . 1 1 50 50 LEU CD1 C 13 25.905 0.3 . 1 . . . . A 34 LEU CD1 . 36049 1 382 . 1 1 50 50 LEU CD2 C 13 23.527 0.3 . 1 . . . . A 34 LEU CD2 . 36049 1 383 . 1 1 50 50 LEU N N 15 117.692 0.3 . 1 . . . . A 34 LEU N . 36049 1 384 . 1 1 51 51 THR H H 1 8.184 0.020 . 1 . . . . A 35 THR H . 36049 1 385 . 1 1 51 51 THR HA H 1 3.804 0.020 . 1 . . . . A 35 THR HA . 36049 1 386 . 1 1 51 51 THR HB H 1 4.266 0.020 . 1 . . . . A 35 THR HB . 36049 1 387 . 1 1 51 51 THR HG21 H 1 1.141 0.020 . 1 . . . . A 35 THR HG21 . 36049 1 388 . 1 1 51 51 THR HG22 H 1 1.141 0.020 . 1 . . . . A 35 THR HG22 . 36049 1 389 . 1 1 51 51 THR HG23 H 1 1.141 0.020 . 1 . . . . A 35 THR HG23 . 36049 1 390 . 1 1 51 51 THR C C 13 173.366 0.3 . 1 . . . . A 35 THR C . 36049 1 391 . 1 1 51 51 THR CA C 13 67.649 0.3 . 1 . . . . A 35 THR CA . 36049 1 392 . 1 1 51 51 THR CB C 13 67.334 0.3 . 1 . . . . A 35 THR CB . 36049 1 393 . 1 1 51 51 THR CG2 C 13 21.575 0.3 . 1 . . . . A 35 THR CG2 . 36049 1 394 . 1 1 51 51 THR N N 15 115.144 0.3 . 1 . . . . A 35 THR N . 36049 1 395 . 1 1 52 52 ALA H H 1 8.405 0.020 . 1 . . . . A 36 ALA H . 36049 1 396 . 1 1 52 52 ALA HA H 1 3.978 0.020 . 1 . . . . A 36 ALA HA . 36049 1 397 . 1 1 52 52 ALA HB1 H 1 1.476 0.020 . 1 . . . . A 36 ALA HB1 . 36049 1 398 . 1 1 52 52 ALA HB2 H 1 1.476 0.020 . 1 . . . . A 36 ALA HB2 . 36049 1 399 . 1 1 52 52 ALA HB3 H 1 1.476 0.020 . 1 . . . . A 36 ALA HB3 . 36049 1 400 . 1 1 52 52 ALA C C 13 176.510 0.3 . 1 . . . . A 36 ALA C . 36049 1 401 . 1 1 52 52 ALA CA C 13 55.367 0.3 . 1 . . . . A 36 ALA CA . 36049 1 402 . 1 1 52 52 ALA CB C 13 18.342 0.3 . 1 . . . . A 36 ALA CB . 36049 1 403 . 1 1 52 52 ALA N N 15 124.754 0.3 . 1 . . . . A 36 ALA N . 36049 1 404 . 1 1 53 53 LEU H H 1 8.117 0.020 . 1 . . . . A 37 LEU H . 36049 1 405 . 1 1 53 53 LEU HA H 1 4.179 0.020 . 1 . . . . A 37 LEU HA . 36049 1 406 . 1 1 53 53 LEU HB2 H 1 1.854 0.020 . 1 . . . . A 37 LEU HB2 . 36049 1 407 . 1 1 53 53 LEU HB3 H 1 1.854 0.020 . 1 . . . . A 37 LEU HB3 . 36049 1 408 . 1 1 53 53 LEU HG H 1 1.747 0.020 . 1 . . . . A 37 LEU HG . 36049 1 409 . 1 1 53 53 LEU HD11 H 1 0.859 0.020 . 2 . . . . A 37 LEU HD11 . 36049 1 410 . 1 1 53 53 LEU HD12 H 1 0.859 0.020 . 2 . . . . A 37 LEU HD12 . 36049 1 411 . 1 1 53 53 LEU HD13 H 1 0.859 0.020 . 2 . . . . A 37 LEU HD13 . 36049 1 412 . 1 1 53 53 LEU HD21 H 1 0.852 0.020 . 2 . . . . A 37 LEU HD21 . 36049 1 413 . 1 1 53 53 LEU HD22 H 1 0.852 0.020 . 2 . . . . A 37 LEU HD22 . 36049 1 414 . 1 1 53 53 LEU HD23 H 1 0.852 0.020 . 2 . . . . A 37 LEU HD23 . 36049 1 415 . 1 1 53 53 LEU C C 13 176.538 0.3 . 1 . . . . A 37 LEU C . 36049 1 416 . 1 1 53 53 LEU CA C 13 55.436 0.3 . 1 . . . . A 37 LEU CA . 36049 1 417 . 1 1 53 53 LEU CB C 13 42.017 0.3 . 1 . . . . A 37 LEU CB . 36049 1 418 . 1 1 53 53 LEU CG C 13 27.101 0.3 . 1 . . . . A 37 LEU CG . 36049 1 419 . 1 1 53 53 LEU CD1 C 13 24.794 0.3 . 1 . . . . A 37 LEU CD1 . 36049 1 420 . 1 1 53 53 LEU CD2 C 13 23.557 0.3 . 1 . . . . A 37 LEU CD2 . 36049 1 421 . 1 1 53 53 LEU N N 15 114.606 0.3 . 1 . . . . A 37 LEU N . 36049 1 422 . 1 1 54 54 ARG H H 1 7.959 0.020 . 1 . . . . A 38 ARG H . 36049 1 423 . 1 1 54 54 ARG HA H 1 4.229 0.020 . 1 . . . . A 38 ARG HA . 36049 1 424 . 1 1 54 54 ARG HB2 H 1 2.066 0.020 . 1 . . . . A 38 ARG HB2 . 36049 1 425 . 1 1 54 54 ARG HB3 H 1 2.066 0.020 . 1 . . . . A 38 ARG HB3 . 36049 1 426 . 1 1 54 54 ARG HG2 H 1 1.707 0.020 . 1 . . . . A 38 ARG HG2 . 36049 1 427 . 1 1 54 54 ARG HG3 H 1 1.707 0.020 . 1 . . . . A 38 ARG HG3 . 36049 1 428 . 1 1 54 54 ARG HD2 H 1 3.280 0.020 . 2 . . . . A 38 ARG HD2 . 36049 1 429 . 1 1 54 54 ARG HD3 H 1 3.208 0.020 . 2 . . . . A 38 ARG HD3 . 36049 1 430 . 1 1 54 54 ARG HE H 1 7.390 0.020 . 1 . . . . A 38 ARG HE . 36049 1 431 . 1 1 54 54 ARG HH11 H 1 6.803 0.020 . 1 . . . . A 38 ARG HH11 . 36049 1 432 . 1 1 54 54 ARG HH12 H 1 6.803 0.020 . 1 . . . . A 38 ARG HH12 . 36049 1 433 . 1 1 54 54 ARG HH21 H 1 6.759 0.020 . 1 . . . . A 38 ARG HH21 . 36049 1 434 . 1 1 54 54 ARG HH22 H 1 6.759 0.020 . 1 . . . . A 38 ARG HH22 . 36049 1 435 . 1 1 54 54 ARG C C 13 176.208 0.3 . 1 . . . . A 38 ARG C . 36049 1 436 . 1 1 54 54 ARG CA C 13 57.491 0.3 . 1 . . . . A 38 ARG CA . 36049 1 437 . 1 1 54 54 ARG CB C 13 28.975 0.3 . 1 . . . . A 38 ARG CB . 36049 1 438 . 1 1 54 54 ARG CG C 13 27.486 0.3 . 1 . . . . A 38 ARG CG . 36049 1 439 . 1 1 54 54 ARG CD C 13 43.139 0.3 . 1 . . . . A 38 ARG CD . 36049 1 440 . 1 1 54 54 ARG N N 15 116.156 0.3 . 1 . . . . A 38 ARG N . 36049 1 441 . 1 1 54 54 ARG NE N 15 84.493 0.3 . 1 . . . . A 38 ARG NE . 36049 1 442 . 1 1 55 55 LEU H H 1 8.317 0.020 . 1 . . . . A 39 LEU H . 36049 1 443 . 1 1 55 55 LEU HA H 1 4.508 0.020 . 1 . . . . A 39 LEU HA . 36049 1 444 . 1 1 55 55 LEU HB2 H 1 1.757 0.020 . 2 . . . . A 39 LEU HB2 . 36049 1 445 . 1 1 55 55 LEU HB3 H 1 1.419 0.020 . 2 . . . . A 39 LEU HB3 . 36049 1 446 . 1 1 55 55 LEU HG H 1 1.752 0.020 . 1 . . . . A 39 LEU HG . 36049 1 447 . 1 1 55 55 LEU HD11 H 1 0.880 0.020 . 2 . . . . A 39 LEU HD11 . 36049 1 448 . 1 1 55 55 LEU HD12 H 1 0.880 0.020 . 2 . . . . A 39 LEU HD12 . 36049 1 449 . 1 1 55 55 LEU HD13 H 1 0.880 0.020 . 2 . . . . A 39 LEU HD13 . 36049 1 450 . 1 1 55 55 LEU HD21 H 1 0.809 0.020 . 2 . . . . A 39 LEU HD21 . 36049 1 451 . 1 1 55 55 LEU HD22 H 1 0.809 0.020 . 2 . . . . A 39 LEU HD22 . 36049 1 452 . 1 1 55 55 LEU HD23 H 1 0.809 0.020 . 2 . . . . A 39 LEU HD23 . 36049 1 453 . 1 1 55 55 LEU C C 13 175.702 0.3 . 1 . . . . A 39 LEU C . 36049 1 454 . 1 1 55 55 LEU CA C 13 55.464 0.3 . 1 . . . . A 39 LEU CA . 36049 1 455 . 1 1 55 55 LEU CB C 13 42.181 0.3 . 1 . . . . A 39 LEU CB . 36049 1 456 . 1 1 55 55 LEU CG C 13 26.893 0.3 . 1 . . . . A 39 LEU CG . 36049 1 457 . 1 1 55 55 LEU CD1 C 13 25.137 0.3 . 1 . . . . A 39 LEU CD1 . 36049 1 458 . 1 1 55 55 LEU CD2 C 13 23.880 0.3 . 1 . . . . A 39 LEU CD2 . 36049 1 459 . 1 1 55 55 LEU N N 15 118.568 0.3 . 1 . . . . A 39 LEU N . 36049 1 460 . 1 1 56 56 ALA H H 1 7.987 0.020 . 1 . . . . A 40 ALA H . 36049 1 461 . 1 1 56 56 ALA HA H 1 4.001 0.020 . 1 . . . . A 40 ALA HA . 36049 1 462 . 1 1 56 56 ALA HB1 H 1 1.443 0.020 . 1 . . . . A 40 ALA HB1 . 36049 1 463 . 1 1 56 56 ALA HB2 H 1 1.443 0.020 . 1 . . . . A 40 ALA HB2 . 36049 1 464 . 1 1 56 56 ALA HB3 H 1 1.443 0.020 . 1 . . . . A 40 ALA HB3 . 36049 1 465 . 1 1 56 56 ALA C C 13 175.838 0.3 . 1 . . . . A 40 ALA C . 36049 1 466 . 1 1 56 56 ALA CA C 13 55.097 0.3 . 1 . . . . A 40 ALA CA . 36049 1 467 . 1 1 56 56 ALA CB C 13 18.463 0.3 . 1 . . . . A 40 ALA CB . 36049 1 468 . 1 1 56 56 ALA N N 15 122.036 0.3 . 1 . . . . A 40 ALA N . 36049 1 469 . 1 1 57 57 ALA H H 1 8.211 0.020 . 1 . . . . A 41 ALA H . 36049 1 470 . 1 1 57 57 ALA HA H 1 4.120 0.020 . 1 . . . . A 41 ALA HA . 36049 1 471 . 1 1 57 57 ALA HB1 H 1 1.326 0.020 . 1 . . . . A 41 ALA HB1 . 36049 1 472 . 1 1 57 57 ALA HB2 H 1 1.326 0.020 . 1 . . . . A 41 ALA HB2 . 36049 1 473 . 1 1 57 57 ALA HB3 H 1 1.326 0.020 . 1 . . . . A 41 ALA HB3 . 36049 1 474 . 1 1 57 57 ALA C C 13 176.517 0.3 . 1 . . . . A 41 ALA C . 36049 1 475 . 1 1 57 57 ALA CA C 13 54.608 0.3 . 1 . . . . A 41 ALA CA . 36049 1 476 . 1 1 57 57 ALA CB C 13 18.148 0.3 . 1 . . . . A 41 ALA CB . 36049 1 477 . 1 1 57 57 ALA N N 15 118.838 0.3 . 1 . . . . A 41 ALA N . 36049 1 478 . 1 1 58 58 TYR H H 1 7.733 0.020 . 1 . . . . A 42 TYR H . 36049 1 479 . 1 1 58 58 TYR HA H 1 4.397 0.020 . 1 . . . . A 42 TYR HA . 36049 1 480 . 1 1 58 58 TYR HB2 H 1 3.123 0.020 . 2 . . . . A 42 TYR HB2 . 36049 1 481 . 1 1 58 58 TYR HB3 H 1 3.039 0.020 . 2 . . . . A 42 TYR HB3 . 36049 1 482 . 1 1 58 58 TYR HD1 H 1 7.104 0.020 . 1 . . . . A 42 TYR HD1 . 36049 1 483 . 1 1 58 58 TYR HD2 H 1 7.104 0.020 . 1 . . . . A 42 TYR HD2 . 36049 1 484 . 1 1 58 58 TYR HE1 H 1 6.659 0.020 . 1 . . . . A 42 TYR HE1 . 36049 1 485 . 1 1 58 58 TYR HE2 H 1 6.659 0.020 . 1 . . . . A 42 TYR HE2 . 36049 1 486 . 1 1 58 58 TYR C C 13 174.633 0.3 . 1 . . . . A 42 TYR C . 36049 1 487 . 1 1 58 58 TYR CA C 13 59.469 0.3 . 1 . . . . A 42 TYR CA . 36049 1 488 . 1 1 58 58 TYR CB C 13 38.712 0.3 . 1 . . . . A 42 TYR CB . 36049 1 489 . 1 1 58 58 TYR CD1 C 13 131.963 0.3 . 1 . . . . A 42 TYR CD1 . 36049 1 490 . 1 1 58 58 TYR CD2 C 13 131.963 0.3 . 1 . . . . A 42 TYR CD2 . 36049 1 491 . 1 1 58 58 TYR CE1 C 13 116.643 0.3 . 1 . . . . A 42 TYR CE1 . 36049 1 492 . 1 1 58 58 TYR CE2 C 13 116.643 0.3 . 1 . . . . A 42 TYR CE2 . 36049 1 493 . 1 1 58 58 TYR N N 15 116.522 0.3 . 1 . . . . A 42 TYR N . 36049 1 494 . 1 1 59 59 ALA H H 1 7.999 0.020 . 1 . . . . A 43 ALA H . 36049 1 495 . 1 1 59 59 ALA HA H 1 4.079 0.020 . 1 . . . . A 43 ALA HA . 36049 1 496 . 1 1 59 59 ALA HB1 H 1 1.420 0.020 . 1 . . . . A 43 ALA HB1 . 36049 1 497 . 1 1 59 59 ALA HB2 H 1 1.420 0.020 . 1 . . . . A 43 ALA HB2 . 36049 1 498 . 1 1 59 59 ALA HB3 H 1 1.420 0.020 . 1 . . . . A 43 ALA HB3 . 36049 1 499 . 1 1 59 59 ALA C C 13 175.241 0.3 . 1 . . . . A 43 ALA C . 36049 1 500 . 1 1 59 59 ALA CA C 13 54.079 0.3 . 1 . . . . A 43 ALA CA . 36049 1 501 . 1 1 59 59 ALA CB C 13 18.812 0.3 . 1 . . . . A 43 ALA CB . 36049 1 502 . 1 1 59 59 ALA N N 15 121.180 0.3 . 1 . . . . A 43 ALA N . 36049 1 503 . 1 1 60 60 ALA H H 1 8.050 0.020 . 1 . . . . A 44 ALA H . 36049 1 504 . 1 1 60 60 ALA HA H 1 4.070 0.020 . 1 . . . . A 44 ALA HA . 36049 1 505 . 1 1 60 60 ALA HB1 H 1 1.436 0.020 . 1 . . . . A 44 ALA HB1 . 36049 1 506 . 1 1 60 60 ALA HB2 H 1 1.436 0.020 . 1 . . . . A 44 ALA HB2 . 36049 1 507 . 1 1 60 60 ALA HB3 H 1 1.436 0.020 . 1 . . . . A 44 ALA HB3 . 36049 1 508 . 1 1 60 60 ALA C C 13 175.092 0.3 . 1 . . . . A 44 ALA C . 36049 1 509 . 1 1 60 60 ALA CA C 13 54.362 0.3 . 1 . . . . A 44 ALA CA . 36049 1 510 . 1 1 60 60 ALA CB C 13 18.668 0.3 . 1 . . . . A 44 ALA CB . 36049 1 511 . 1 1 60 60 ALA N N 15 118.999 0.3 . 1 . . . . A 44 ALA N . 36049 1 512 . 1 1 61 61 ASN H H 1 7.893 0.020 . 1 . . . . A 45 ASN H . 36049 1 513 . 1 1 61 61 ASN HA H 1 4.582 0.020 . 1 . . . . A 45 ASN HA . 36049 1 514 . 1 1 61 61 ASN HB2 H 1 2.869 0.020 . 2 . . . . A 45 ASN HB2 . 36049 1 515 . 1 1 61 61 ASN HB3 H 1 2.799 0.020 . 2 . . . . A 45 ASN HB3 . 36049 1 516 . 1 1 61 61 ASN HD21 H 1 6.760 0.020 . 1 . . . . A 45 ASN HD21 . 36049 1 517 . 1 1 61 61 ASN HD22 H 1 7.485 0.020 . 1 . . . . A 45 ASN HD22 . 36049 1 518 . 1 1 61 61 ASN CA C 13 54.920 0.3 . 1 . . . . A 45 ASN CA . 36049 1 519 . 1 1 61 61 ASN CB C 13 38.811 0.3 . 1 . . . . A 45 ASN CB . 36049 1 520 . 1 1 61 61 ASN N N 15 114.320 0.3 . 1 . . . . A 45 ASN N . 36049 1 521 . 1 1 61 61 ASN ND2 N 15 112.364 0.3 . 1 . . . . A 45 ASN ND2 . 36049 1 522 . 1 1 62 62 ILE H H 1 7.769 0.020 . 1 . . . . A 46 ILE H . 36049 1 523 . 1 1 62 62 ILE HA H 1 4.035 0.020 . 1 . . . . A 46 ILE HA . 36049 1 524 . 1 1 62 62 ILE HB H 1 1.934 0.020 . 1 . . . . A 46 ILE HB . 36049 1 525 . 1 1 62 62 ILE HG12 H 1 1.537 0.020 . 2 . . . . A 46 ILE HG12 . 36049 1 526 . 1 1 62 62 ILE HG13 H 1 1.206 0.020 . 2 . . . . A 46 ILE HG13 . 36049 1 527 . 1 1 62 62 ILE HG21 H 1 0.892 0.020 . 1 . . . . A 46 ILE HG21 . 36049 1 528 . 1 1 62 62 ILE HG22 H 1 0.892 0.020 . 1 . . . . A 46 ILE HG22 . 36049 1 529 . 1 1 62 62 ILE HG23 H 1 0.892 0.020 . 1 . . . . A 46 ILE HG23 . 36049 1 530 . 1 1 62 62 ILE HD11 H 1 0.820 0.020 . 1 . . . . A 46 ILE HD11 . 36049 1 531 . 1 1 62 62 ILE HD12 H 1 0.820 0.020 . 1 . . . . A 46 ILE HD12 . 36049 1 532 . 1 1 62 62 ILE HD13 H 1 0.820 0.020 . 1 . . . . A 46 ILE HD13 . 36049 1 533 . 1 1 62 62 ILE C C 13 173.344 0.3 . 1 . . . . A 46 ILE C . 36049 1 534 . 1 1 62 62 ILE CA C 13 62.890 0.3 . 1 . . . . A 46 ILE CA . 36049 1 535 . 1 1 62 62 ILE CB C 13 38.467 0.3 . 1 . . . . A 46 ILE CB . 36049 1 536 . 1 1 62 62 ILE CG1 C 13 28.259 0.3 . 1 . . . . A 46 ILE CG1 . 36049 1 537 . 1 1 62 62 ILE CG2 C 13 17.794 0.3 . 1 . . . . A 46 ILE CG2 . 36049 1 538 . 1 1 62 62 ILE CD1 C 13 13.451 0.3 . 1 . . . . A 46 ILE CD1 . 36049 1 539 . 1 1 62 62 ILE N N 15 117.974 0.3 . 1 . . . . A 46 ILE N . 36049 1 540 . 1 1 63 63 VAL H H 1 7.743 0.020 . 1 . . . . A 47 VAL H . 36049 1 541 . 1 1 63 63 VAL HA H 1 3.952 0.020 . 1 . . . . A 47 VAL HA . 36049 1 542 . 1 1 63 63 VAL HB H 1 2.181 0.020 . 1 . . . . A 47 VAL HB . 36049 1 543 . 1 1 63 63 VAL HG11 H 1 0.944 0.020 . 2 . . . . A 47 VAL HG11 . 36049 1 544 . 1 1 63 63 VAL HG12 H 1 0.944 0.020 . 2 . . . . A 47 VAL HG12 . 36049 1 545 . 1 1 63 63 VAL HG13 H 1 0.944 0.020 . 2 . . . . A 47 VAL HG13 . 36049 1 546 . 1 1 63 63 VAL HG21 H 1 0.950 0.020 . 2 . . . . A 47 VAL HG21 . 36049 1 547 . 1 1 63 63 VAL HG22 H 1 0.950 0.020 . 2 . . . . A 47 VAL HG22 . 36049 1 548 . 1 1 63 63 VAL HG23 H 1 0.950 0.020 . 2 . . . . A 47 VAL HG23 . 36049 1 549 . 1 1 63 63 VAL C C 13 172.672 0.3 . 1 . . . . A 47 VAL C . 36049 1 550 . 1 1 63 63 VAL CA C 13 63.551 0.3 . 1 . . . . A 47 VAL CA . 36049 1 551 . 1 1 63 63 VAL CB C 13 32.019 0.3 . 1 . . . . A 47 VAL CB . 36049 1 552 . 1 1 63 63 VAL CG1 C 13 21.267 0.3 . 1 . . . . A 47 VAL CG1 . 36049 1 553 . 1 1 63 63 VAL CG2 C 13 21.548 0.3 . 1 . . . . A 47 VAL CG2 . 36049 1 554 . 1 1 63 63 VAL N N 15 117.730 0.3 . 1 . . . . A 47 VAL N . 36049 1 555 . 1 1 64 64 ASN H H 1 8.012 0.020 . 1 . . . . A 48 ASN H . 36049 1 556 . 1 1 64 64 ASN HA H 1 4.688 0.020 . 1 . . . . A 48 ASN HA . 36049 1 557 . 1 1 64 64 ASN HB2 H 1 2.921 0.020 . 2 . . . . A 48 ASN HB2 . 36049 1 558 . 1 1 64 64 ASN HB3 H 1 2.823 0.020 . 2 . . . . A 48 ASN HB3 . 36049 1 559 . 1 1 64 64 ASN HD21 H 1 7.582 0.020 . 1 . . . . A 48 ASN HD21 . 36049 1 560 . 1 1 64 64 ASN HD22 H 1 6.912 0.020 . 1 . . . . A 48 ASN HD22 . 36049 1 561 . 1 1 64 64 ASN CA C 13 54.222 0.3 . 1 . . . . A 48 ASN CA . 36049 1 562 . 1 1 64 64 ASN CB C 13 39.045 0.3 . 1 . . . . A 48 ASN CB . 36049 1 563 . 1 1 64 64 ASN N N 15 119.320 0.3 . 1 . . . . A 48 ASN N . 36049 1 564 . 1 1 64 64 ASN ND2 N 15 112.522 0.3 . 1 . . . . A 48 ASN ND2 . 36049 1 565 . 1 1 65 65 VAL H H 1 7.896 0.020 . 1 . . . . A 49 VAL H . 36049 1 566 . 1 1 65 65 VAL HA H 1 4.068 0.020 . 1 . . . . A 49 VAL HA . 36049 1 567 . 1 1 65 65 VAL HB H 1 2.128 0.020 . 1 . . . . A 49 VAL HB . 36049 1 568 . 1 1 65 65 VAL HG11 H 1 0.981 0.020 . 2 . . . . A 49 VAL HG11 . 36049 1 569 . 1 1 65 65 VAL HG12 H 1 0.981 0.020 . 2 . . . . A 49 VAL HG12 . 36049 1 570 . 1 1 65 65 VAL HG13 H 1 0.981 0.020 . 2 . . . . A 49 VAL HG13 . 36049 1 571 . 1 1 65 65 VAL HG21 H 1 0.942 0.020 . 2 . . . . A 49 VAL HG21 . 36049 1 572 . 1 1 65 65 VAL HG22 H 1 0.942 0.020 . 2 . . . . A 49 VAL HG22 . 36049 1 573 . 1 1 65 65 VAL HG23 H 1 0.942 0.020 . 2 . . . . A 49 VAL HG23 . 36049 1 574 . 1 1 65 65 VAL C C 13 172.595 0.3 . 1 . . . . A 49 VAL C . 36049 1 575 . 1 1 65 65 VAL CA C 13 63.106 0.3 . 1 . . . . A 49 VAL CA . 36049 1 576 . 1 1 65 65 VAL CB C 13 32.908 0.3 . 1 . . . . A 49 VAL CB . 36049 1 577 . 1 1 65 65 VAL CG1 C 13 21.262 0.3 . 1 . . . . A 49 VAL CG1 . 36049 1 578 . 1 1 65 65 VAL CG2 C 13 20.320 0.3 . 1 . . . . A 49 VAL CG2 . 36049 1 579 . 1 1 65 65 VAL N N 15 117.119 0.3 . 1 . . . . A 49 VAL N . 36049 1 580 . 1 1 66 66 SER H H 1 8.197 0.020 . 1 . . . . A 50 SER H . 36049 1 581 . 1 1 66 66 SER HA H 1 4.523 0.020 . 1 . . . . A 50 SER HA . 36049 1 582 . 1 1 66 66 SER HB2 H 1 3.898 0.020 . 1 . . . . A 50 SER HB2 . 36049 1 583 . 1 1 66 66 SER HB3 H 1 3.898 0.020 . 1 . . . . A 50 SER HB3 . 36049 1 584 . 1 1 66 66 SER C C 13 171.430 0.3 . 1 . . . . A 50 SER C . 36049 1 585 . 1 1 66 66 SER CA C 13 59.271 0.3 . 1 . . . . A 50 SER CA . 36049 1 586 . 1 1 66 66 SER CB C 13 63.909 0.3 . 1 . . . . A 50 SER CB . 36049 1 587 . 1 1 66 66 SER N N 15 116.389 0.3 . 1 . . . . A 50 SER N . 36049 1 588 . 1 1 67 67 LEU H H 1 8.145 0.020 . 1 . . . . A 51 LEU H . 36049 1 589 . 1 1 67 67 LEU HA H 1 4.504 0.020 . 1 . . . . A 51 LEU HA . 36049 1 590 . 1 1 67 67 LEU HB2 H 1 1.758 0.020 . 1 . . . . A 51 LEU HB2 . 36049 1 591 . 1 1 67 67 LEU HB3 H 1 1.758 0.020 . 1 . . . . A 51 LEU HB3 . 36049 1 592 . 1 1 67 67 LEU HG H 1 1.735 0.020 . 1 . . . . A 51 LEU HG . 36049 1 593 . 1 1 67 67 LEU HD11 H 1 0.917 0.020 . 2 . . . . A 51 LEU HD11 . 36049 1 594 . 1 1 67 67 LEU HD12 H 1 0.917 0.020 . 2 . . . . A 51 LEU HD12 . 36049 1 595 . 1 1 67 67 LEU HD13 H 1 0.917 0.020 . 2 . . . . A 51 LEU HD13 . 36049 1 596 . 1 1 67 67 LEU HD21 H 1 0.902 0.020 . 2 . . . . A 51 LEU HD21 . 36049 1 597 . 1 1 67 67 LEU HD22 H 1 0.902 0.020 . 2 . . . . A 51 LEU HD22 . 36049 1 598 . 1 1 67 67 LEU HD23 H 1 0.902 0.020 . 2 . . . . A 51 LEU HD23 . 36049 1 599 . 1 1 67 67 LEU C C 13 174.110 0.3 . 1 . . . . A 51 LEU C . 36049 1 600 . 1 1 67 67 LEU CA C 13 55.404 0.3 . 1 . . . . A 51 LEU CA . 36049 1 601 . 1 1 67 67 LEU CB C 13 42.926 0.3 . 1 . . . . A 51 LEU CB . 36049 1 602 . 1 1 67 67 LEU CG C 13 27.139 0.3 . 1 . . . . A 51 LEU CG . 36049 1 603 . 1 1 67 67 LEU CD1 C 13 25.554 0.3 . 1 . . . . A 51 LEU CD1 . 36049 1 604 . 1 1 67 67 LEU CD2 C 13 24.730 0.3 . 1 . . . . A 51 LEU CD2 . 36049 1 605 . 1 1 67 67 LEU N N 15 120.293 0.3 . 1 . . . . A 51 LEU N . 36049 1 606 . 1 1 68 68 VAL H H 1 7.905 0.020 . 1 . . . . A 52 VAL H . 36049 1 607 . 1 1 68 68 VAL HA H 1 3.689 0.020 . 1 . . . . A 52 VAL HA . 36049 1 608 . 1 1 68 68 VAL HB H 1 2.231 0.020 . 1 . . . . A 52 VAL HB . 36049 1 609 . 1 1 68 68 VAL HG11 H 1 1.014 0.020 . 2 . . . . A 52 VAL HG11 . 36049 1 610 . 1 1 68 68 VAL HG12 H 1 1.014 0.020 . 2 . . . . A 52 VAL HG12 . 36049 1 611 . 1 1 68 68 VAL HG13 H 1 1.014 0.020 . 2 . . . . A 52 VAL HG13 . 36049 1 612 . 1 1 68 68 VAL HG21 H 1 1.061 0.020 . 2 . . . . A 52 VAL HG21 . 36049 1 613 . 1 1 68 68 VAL HG22 H 1 1.061 0.020 . 2 . . . . A 52 VAL HG22 . 36049 1 614 . 1 1 68 68 VAL HG23 H 1 1.061 0.020 . 2 . . . . A 52 VAL HG23 . 36049 1 615 . 1 1 68 68 VAL C C 13 172.476 0.3 . 1 . . . . A 52 VAL C . 36049 1 616 . 1 1 68 68 VAL CA C 13 66.579 0.3 . 1 . . . . A 52 VAL CA . 36049 1 617 . 1 1 68 68 VAL CB C 13 31.604 0.3 . 1 . . . . A 52 VAL CB . 36049 1 618 . 1 1 68 68 VAL CG1 C 13 21.440 0.3 . 1 . . . . A 52 VAL CG1 . 36049 1 619 . 1 1 68 68 VAL CG2 C 13 22.956 0.3 . 1 . . . . A 52 VAL CG2 . 36049 1 620 . 1 1 68 68 VAL N N 15 120.415 0.3 . 1 . . . . A 52 VAL N . 36049 1 621 . 1 1 69 69 LYS H H 1 8.391 0.020 . 1 . . . . A 53 LYS H . 36049 1 622 . 1 1 69 69 LYS HA H 1 4.235 0.020 . 1 . . . . A 53 LYS HA . 36049 1 623 . 1 1 69 69 LYS HB2 H 1 1.997 0.020 . 2 . . . . A 53 LYS HB2 . 36049 1 624 . 1 1 69 69 LYS HB3 H 1 1.888 0.020 . 2 . . . . A 53 LYS HB3 . 36049 1 625 . 1 1 69 69 LYS HG2 H 1 1.620 0.020 . 2 . . . . A 53 LYS HG2 . 36049 1 626 . 1 1 69 69 LYS HG3 H 1 1.443 0.020 . 2 . . . . A 53 LYS HG3 . 36049 1 627 . 1 1 69 69 LYS HD2 H 1 1.743 0.020 . 1 . . . . A 53 LYS HD2 . 36049 1 628 . 1 1 69 69 LYS HD3 H 1 1.743 0.020 . 1 . . . . A 53 LYS HD3 . 36049 1 629 . 1 1 69 69 LYS HE2 H 1 3.011 0.020 . 1 . . . . A 53 LYS HE2 . 36049 1 630 . 1 1 69 69 LYS HE3 H 1 3.011 0.020 . 1 . . . . A 53 LYS HE3 . 36049 1 631 . 1 1 69 69 LYS CA C 13 60.886 0.3 . 1 . . . . A 53 LYS CA . 36049 1 632 . 1 1 69 69 LYS CB C 13 29.940 0.3 . 1 . . . . A 53 LYS CB . 36049 1 633 . 1 1 69 69 LYS CG C 13 25.811 0.3 . 1 . . . . A 53 LYS CG . 36049 1 634 . 1 1 69 69 LYS CD C 13 29.325 0.3 . 1 . . . . A 53 LYS CD . 36049 1 635 . 1 1 69 69 LYS CE C 13 42.184 0.3 . 1 . . . . A 53 LYS CE . 36049 1 636 . 1 1 69 69 LYS N N 15 118.604 0.3 . 1 . . . . A 53 LYS N . 36049 1 637 . 1 1 70 70 PRO HA H 1 4.423 0.020 . 1 . . . . A 54 PRO HA . 36049 1 638 . 1 1 70 70 PRO HB2 H 1 2.246 0.020 . 2 . . . . A 54 PRO HB2 . 36049 1 639 . 1 1 70 70 PRO HB3 H 1 1.828 0.020 . 2 . . . . A 54 PRO HB3 . 36049 1 640 . 1 1 70 70 PRO HG2 H 1 2.202 0.020 . 2 . . . . A 54 PRO HG2 . 36049 1 641 . 1 1 70 70 PRO HG3 H 1 1.984 0.020 . 2 . . . . A 54 PRO HG3 . 36049 1 642 . 1 1 70 70 PRO HD2 H 1 3.695 0.020 . 2 . . . . A 54 PRO HD2 . 36049 1 643 . 1 1 70 70 PRO HD3 H 1 3.649 0.020 . 2 . . . . A 54 PRO HD3 . 36049 1 644 . 1 1 70 70 PRO CA C 13 65.878 0.3 . 1 . . . . A 54 PRO CA . 36049 1 645 . 1 1 70 70 PRO CB C 13 31.620 0.3 . 1 . . . . A 54 PRO CB . 36049 1 646 . 1 1 70 70 PRO CG C 13 28.100 0.3 . 1 . . . . A 54 PRO CG . 36049 1 647 . 1 1 70 70 PRO CD C 13 50.237 0.3 . 1 . . . . A 54 PRO CD . 36049 1 648 . 1 1 71 71 THR H H 1 7.372 0.020 . 1 . . . . A 55 THR H . 36049 1 649 . 1 1 71 71 THR HA H 1 3.873 0.020 . 1 . . . . A 55 THR HA . 36049 1 650 . 1 1 71 71 THR HB H 1 4.273 0.020 . 1 . . . . A 55 THR HB . 36049 1 651 . 1 1 71 71 THR HG21 H 1 1.199 0.020 . 1 . . . . A 55 THR HG21 . 36049 1 652 . 1 1 71 71 THR HG22 H 1 1.199 0.020 . 1 . . . . A 55 THR HG22 . 36049 1 653 . 1 1 71 71 THR HG23 H 1 1.199 0.020 . 1 . . . . A 55 THR HG23 . 36049 1 654 . 1 1 71 71 THR C C 13 172.822 0.3 . 1 . . . . A 55 THR C . 36049 1 655 . 1 1 71 71 THR CA C 13 67.679 0.3 . 1 . . . . A 55 THR CA . 36049 1 656 . 1 1 71 71 THR CB C 13 67.555 0.3 . 1 . . . . A 55 THR CB . 36049 1 657 . 1 1 71 71 THR CG2 C 13 22.105 0.3 . 1 . . . . A 55 THR CG2 . 36049 1 658 . 1 1 71 71 THR N N 15 113.020 0.3 . 1 . . . . A 55 THR N . 36049 1 659 . 1 1 72 72 VAL H H 1 8.234 0.020 . 1 . . . . A 56 VAL H . 36049 1 660 . 1 1 72 72 VAL HA H 1 3.697 0.020 . 1 . . . . A 56 VAL HA . 36049 1 661 . 1 1 72 72 VAL HB H 1 2.241 0.020 . 1 . . . . A 56 VAL HB . 36049 1 662 . 1 1 72 72 VAL HG11 H 1 1.040 0.020 . 2 . . . . A 56 VAL HG11 . 36049 1 663 . 1 1 72 72 VAL HG12 H 1 1.040 0.020 . 2 . . . . A 56 VAL HG12 . 36049 1 664 . 1 1 72 72 VAL HG13 H 1 1.040 0.020 . 2 . . . . A 56 VAL HG13 . 36049 1 665 . 1 1 72 72 VAL HG21 H 1 0.953 0.020 . 2 . . . . A 56 VAL HG21 . 36049 1 666 . 1 1 72 72 VAL HG22 H 1 0.953 0.020 . 2 . . . . A 56 VAL HG22 . 36049 1 667 . 1 1 72 72 VAL HG23 H 1 0.953 0.020 . 2 . . . . A 56 VAL HG23 . 36049 1 668 . 1 1 72 72 VAL C C 13 174.904 0.3 . 1 . . . . A 56 VAL C . 36049 1 669 . 1 1 72 72 VAL CA C 13 66.640 0.3 . 1 . . . . A 56 VAL CA . 36049 1 670 . 1 1 72 72 VAL CB C 13 31.836 0.3 . 1 . . . . A 56 VAL CB . 36049 1 671 . 1 1 72 72 VAL CG1 C 13 22.435 0.3 . 1 . . . . A 56 VAL CG1 . 36049 1 672 . 1 1 72 72 VAL CG2 C 13 21.415 0.3 . 1 . . . . A 56 VAL CG2 . 36049 1 673 . 1 1 72 72 VAL N N 15 120.837 0.3 . 1 . . . . A 56 VAL N . 36049 1 674 . 1 1 73 73 TYR H H 1 8.100 0.020 . 1 . . . . A 57 TYR H . 36049 1 675 . 1 1 73 73 TYR HA H 1 4.202 0.020 . 1 . . . . A 57 TYR HA . 36049 1 676 . 1 1 73 73 TYR HB2 H 1 3.190 0.020 . 1 . . . . A 57 TYR HB2 . 36049 1 677 . 1 1 73 73 TYR HB3 H 1 3.190 0.020 . 1 . . . . A 57 TYR HB3 . 36049 1 678 . 1 1 73 73 TYR HD1 H 1 7.014 0.020 . 1 . . . . A 57 TYR HD1 . 36049 1 679 . 1 1 73 73 TYR HD2 H 1 7.014 0.020 . 1 . . . . A 57 TYR HD2 . 36049 1 680 . 1 1 73 73 TYR HE1 H 1 6.708 0.020 . 1 . . . . A 57 TYR HE1 . 36049 1 681 . 1 1 73 73 TYR HE2 H 1 6.708 0.020 . 1 . . . . A 57 TYR HE2 . 36049 1 682 . 1 1 73 73 TYR C C 13 174.969 0.3 . 1 . . . . A 57 TYR C . 36049 1 683 . 1 1 73 73 TYR CA C 13 61.710 0.3 . 1 . . . . A 57 TYR CA . 36049 1 684 . 1 1 73 73 TYR CB C 13 38.974 0.3 . 1 . . . . A 57 TYR CB . 36049 1 685 . 1 1 73 73 TYR CD1 C 13 132.020 0.3 . 1 . . . . A 57 TYR CD1 . 36049 1 686 . 1 1 73 73 TYR CD2 C 13 132.020 0.3 . 1 . . . . A 57 TYR CD2 . 36049 1 687 . 1 1 73 73 TYR CE1 C 13 117.758 0.3 . 1 . . . . A 57 TYR CE1 . 36049 1 688 . 1 1 73 73 TYR CE2 C 13 117.758 0.3 . 1 . . . . A 57 TYR CE2 . 36049 1 689 . 1 1 73 73 TYR N N 15 121.376 0.3 . 1 . . . . A 57 TYR N . 36049 1 690 . 1 1 74 74 VAL H H 1 8.238 0.020 . 1 . . . . A 58 VAL H . 36049 1 691 . 1 1 74 74 VAL HA H 1 3.446 0.020 . 1 . . . . A 58 VAL HA . 36049 1 692 . 1 1 74 74 VAL HB H 1 2.276 0.020 . 1 . . . . A 58 VAL HB . 36049 1 693 . 1 1 74 74 VAL HG11 H 1 0.980 0.020 . 2 . . . . A 58 VAL HG11 . 36049 1 694 . 1 1 74 74 VAL HG12 H 1 0.980 0.020 . 2 . . . . A 58 VAL HG12 . 36049 1 695 . 1 1 74 74 VAL HG13 H 1 0.980 0.020 . 2 . . . . A 58 VAL HG13 . 36049 1 696 . 1 1 74 74 VAL HG21 H 1 0.919 0.020 . 2 . . . . A 58 VAL HG21 . 36049 1 697 . 1 1 74 74 VAL HG22 H 1 0.919 0.020 . 2 . . . . A 58 VAL HG22 . 36049 1 698 . 1 1 74 74 VAL HG23 H 1 0.919 0.020 . 2 . . . . A 58 VAL HG23 . 36049 1 699 . 1 1 74 74 VAL C C 13 174.250 0.3 . 1 . . . . A 58 VAL C . 36049 1 700 . 1 1 74 74 VAL CA C 13 67.230 0.3 . 1 . . . . A 58 VAL CA . 36049 1 701 . 1 1 74 74 VAL CB C 13 31.710 0.3 . 1 . . . . A 58 VAL CB . 36049 1 702 . 1 1 74 74 VAL CG1 C 13 22.144 0.3 . 1 . . . . A 58 VAL CG1 . 36049 1 703 . 1 1 74 74 VAL CG2 C 13 23.282 0.3 . 1 . . . . A 58 VAL CG2 . 36049 1 704 . 1 1 74 74 VAL N N 15 118.770 0.3 . 1 . . . . A 58 VAL N . 36049 1 705 . 1 1 75 75 TYR H H 1 8.542 0.020 . 1 . . . . A 59 TYR H . 36049 1 706 . 1 1 75 75 TYR HA H 1 4.062 0.020 . 1 . . . . A 59 TYR HA . 36049 1 707 . 1 1 75 75 TYR HB2 H 1 3.129 0.020 . 2 . . . . A 59 TYR HB2 . 36049 1 708 . 1 1 75 75 TYR HB3 H 1 3.064 0.020 . 2 . . . . A 59 TYR HB3 . 36049 1 709 . 1 1 75 75 TYR HD1 H 1 6.973 0.020 . 1 . . . . A 59 TYR HD1 . 36049 1 710 . 1 1 75 75 TYR HD2 H 1 6.973 0.020 . 1 . . . . A 59 TYR HD2 . 36049 1 711 . 1 1 75 75 TYR HE1 H 1 6.692 0.020 . 1 . . . . A 59 TYR HE1 . 36049 1 712 . 1 1 75 75 TYR HE2 H 1 6.692 0.020 . 1 . . . . A 59 TYR HE2 . 36049 1 713 . 1 1 75 75 TYR C C 13 173.899 0.3 . 1 . . . . A 59 TYR C . 36049 1 714 . 1 1 75 75 TYR CA C 13 61.532 0.3 . 1 . . . . A 59 TYR CA . 36049 1 715 . 1 1 75 75 TYR CB C 13 38.613 0.3 . 1 . . . . A 59 TYR CB . 36049 1 716 . 1 1 75 75 TYR CD1 C 13 131.980 0.3 . 1 . . . . A 59 TYR CD1 . 36049 1 717 . 1 1 75 75 TYR CD2 C 13 131.980 0.3 . 1 . . . . A 59 TYR CD2 . 36049 1 718 . 1 1 75 75 TYR CE1 C 13 117.244 0.3 . 1 . . . . A 59 TYR CE1 . 36049 1 719 . 1 1 75 75 TYR CE2 C 13 117.244 0.3 . 1 . . . . A 59 TYR CE2 . 36049 1 720 . 1 1 75 75 TYR N N 15 119.771 0.3 . 1 . . . . A 59 TYR N . 36049 1 721 . 1 1 76 76 SER H H 1 8.297 0.020 . 1 . . . . A 60 SER H . 36049 1 722 . 1 1 76 76 SER HA H 1 3.882 0.020 . 1 . . . . A 60 SER HA . 36049 1 723 . 1 1 76 76 SER HB2 H 1 3.952 0.020 . 1 . . . . A 60 SER HB2 . 36049 1 724 . 1 1 76 76 SER HB3 H 1 3.952 0.020 . 1 . . . . A 60 SER HB3 . 36049 1 725 . 1 1 76 76 SER C C 13 172.887 0.3 . 1 . . . . A 60 SER C . 36049 1 726 . 1 1 76 76 SER CA C 13 61.531 0.3 . 1 . . . . A 60 SER CA . 36049 1 727 . 1 1 76 76 SER CB C 13 63.168 0.3 . 1 . . . . A 60 SER CB . 36049 1 728 . 1 1 76 76 SER N N 15 112.388 0.3 . 1 . . . . A 60 SER N . 36049 1 729 . 1 1 77 77 ARG H H 1 7.591 0.020 . 1 . . . . A 61 ARG H . 36049 1 730 . 1 1 77 77 ARG HA H 1 4.120 0.020 . 1 . . . . A 61 ARG HA . 36049 1 731 . 1 1 77 77 ARG HB2 H 1 1.797 0.020 . 2 . . . . A 61 ARG HB2 . 36049 1 732 . 1 1 77 77 ARG HB3 H 1 1.763 0.020 . 2 . . . . A 61 ARG HB3 . 36049 1 733 . 1 1 77 77 ARG HG2 H 1 1.429 0.020 . 1 . . . . A 61 ARG HG2 . 36049 1 734 . 1 1 77 77 ARG HG3 H 1 1.429 0.020 . 1 . . . . A 61 ARG HG3 . 36049 1 735 . 1 1 77 77 ARG HD2 H 1 2.977 0.020 . 2 . . . . A 61 ARG HD2 . 36049 1 736 . 1 1 77 77 ARG HD3 H 1 2.949 0.020 . 2 . . . . A 61 ARG HD3 . 36049 1 737 . 1 1 77 77 ARG HE H 1 7.165 0.020 . 1 . . . . A 61 ARG HE . 36049 1 738 . 1 1 77 77 ARG HH11 H 1 6.796 0.020 . 1 . . . . A 61 ARG HH11 . 36049 1 739 . 1 1 77 77 ARG HH12 H 1 6.796 0.020 . 1 . . . . A 61 ARG HH12 . 36049 1 740 . 1 1 77 77 ARG HH21 H 1 6.671 0.020 . 1 . . . . A 61 ARG HH21 . 36049 1 741 . 1 1 77 77 ARG HH22 H 1 6.671 0.020 . 1 . . . . A 61 ARG HH22 . 36049 1 742 . 1 1 77 77 ARG C C 13 175.399 0.3 . 1 . . . . A 61 ARG C . 36049 1 743 . 1 1 77 77 ARG CA C 13 57.242 0.3 . 1 . . . . A 61 ARG CA . 36049 1 744 . 1 1 77 77 ARG CB C 13 29.798 0.3 . 1 . . . . A 61 ARG CB . 36049 1 745 . 1 1 77 77 ARG CG C 13 26.820 0.3 . 1 . . . . A 61 ARG CG . 36049 1 746 . 1 1 77 77 ARG CD C 13 42.317 0.3 . 1 . . . . A 61 ARG CD . 36049 1 747 . 1 1 77 77 ARG N N 15 119.689 0.3 . 1 . . . . A 61 ARG N . 36049 1 748 . 1 1 77 77 ARG NE N 15 83.873 0.3 . 1 . . . . A 61 ARG NE . 36049 1 749 . 1 1 77 77 ARG NH1 N 15 71.912 0.3 . 1 . . . . A 61 ARG NH1 . 36049 1 750 . 1 1 77 77 ARG NH2 N 15 71.955 0.3 . 1 . . . . A 61 ARG NH2 . 36049 1 751 . 1 1 78 78 VAL H H 1 7.983 0.020 . 1 . . . . A 62 VAL H . 36049 1 752 . 1 1 78 78 VAL HA H 1 3.834 0.020 . 1 . . . . A 62 VAL HA . 36049 1 753 . 1 1 78 78 VAL HB H 1 2.134 0.020 . 1 . . . . A 62 VAL HB . 36049 1 754 . 1 1 78 78 VAL HG11 H 1 0.986 0.020 . 2 . . . . A 62 VAL HG11 . 36049 1 755 . 1 1 78 78 VAL HG12 H 1 0.986 0.020 . 2 . . . . A 62 VAL HG12 . 36049 1 756 . 1 1 78 78 VAL HG13 H 1 0.986 0.020 . 2 . . . . A 62 VAL HG13 . 36049 1 757 . 1 1 78 78 VAL HG21 H 1 0.903 0.020 . 2 . . . . A 62 VAL HG21 . 36049 1 758 . 1 1 78 78 VAL HG22 H 1 0.903 0.020 . 2 . . . . A 62 VAL HG22 . 36049 1 759 . 1 1 78 78 VAL HG23 H 1 0.903 0.020 . 2 . . . . A 62 VAL HG23 . 36049 1 760 . 1 1 78 78 VAL C C 13 174.155 0.3 . 1 . . . . A 62 VAL C . 36049 1 761 . 1 1 78 78 VAL CA C 13 64.635 0.3 . 1 . . . . A 62 VAL CA . 36049 1 762 . 1 1 78 78 VAL CB C 13 31.842 0.3 . 1 . . . . A 62 VAL CB . 36049 1 763 . 1 1 78 78 VAL CG1 C 13 22.048 0.3 . 1 . . . . A 62 VAL CG1 . 36049 1 764 . 1 1 78 78 VAL CG2 C 13 21.562 0.3 . 1 . . . . A 62 VAL CG2 . 36049 1 765 . 1 1 78 78 VAL N N 15 116.906 0.3 . 1 . . . . A 62 VAL N . 36049 1 766 . 1 1 79 79 LYS H H 1 7.742 0.020 . 1 . . . . A 63 LYS H . 36049 1 767 . 1 1 79 79 LYS HA H 1 3.987 0.020 . 1 . . . . A 63 LYS HA . 36049 1 768 . 1 1 79 79 LYS HB2 H 1 1.502 0.020 . 1 . . . . A 63 LYS HB2 . 36049 1 769 . 1 1 79 79 LYS HB3 H 1 1.502 0.020 . 1 . . . . A 63 LYS HB3 . 36049 1 770 . 1 1 79 79 LYS HG2 H 1 1.180 0.020 . 2 . . . . A 63 LYS HG2 . 36049 1 771 . 1 1 79 79 LYS HG3 H 1 1.124 0.020 . 2 . . . . A 63 LYS HG3 . 36049 1 772 . 1 1 79 79 LYS HD2 H 1 1.437 0.020 . 1 . . . . A 63 LYS HD2 . 36049 1 773 . 1 1 79 79 LYS HD3 H 1 1.437 0.020 . 1 . . . . A 63 LYS HD3 . 36049 1 774 . 1 1 79 79 LYS HE2 H 1 2.895 0.020 . 2 . . . . A 63 LYS HE2 . 36049 1 775 . 1 1 79 79 LYS HE3 H 1 2.853 0.020 . 2 . . . . A 63 LYS HE3 . 36049 1 776 . 1 1 79 79 LYS C C 13 173.615 0.3 . 1 . . . . A 63 LYS C . 36049 1 777 . 1 1 79 79 LYS CA C 13 57.332 0.3 . 1 . . . . A 63 LYS CA . 36049 1 778 . 1 1 79 79 LYS CB C 13 31.657 0.3 . 1 . . . . A 63 LYS CB . 36049 1 779 . 1 1 79 79 LYS CG C 13 24.098 0.3 . 1 . . . . A 63 LYS CG . 36049 1 780 . 1 1 79 79 LYS CD C 13 28.869 0.3 . 1 . . . . A 63 LYS CD . 36049 1 781 . 1 1 79 79 LYS CE C 13 41.948 0.3 . 1 . . . . A 63 LYS CE . 36049 1 782 . 1 1 79 79 LYS N N 15 117.957 0.3 . 1 . . . . A 63 LYS N . 36049 1 783 . 1 1 80 80 ASN H H 1 7.473 0.020 . 1 . . . . A 64 ASN H . 36049 1 784 . 1 1 80 80 ASN HA H 1 4.749 0.020 . 1 . . . . A 64 ASN HA . 36049 1 785 . 1 1 80 80 ASN HB2 H 1 2.932 0.020 . 2 . . . . A 64 ASN HB2 . 36049 1 786 . 1 1 80 80 ASN HB3 H 1 2.602 0.020 . 2 . . . . A 64 ASN HB3 . 36049 1 787 . 1 1 80 80 ASN HD21 H 1 6.816 0.020 . 1 . . . . A 64 ASN HD21 . 36049 1 788 . 1 1 80 80 ASN HD22 H 1 7.527 0.020 . 1 . . . . A 64 ASN HD22 . 36049 1 789 . 1 1 80 80 ASN C C 13 171.750 0.3 . 1 . . . . A 64 ASN C . 36049 1 790 . 1 1 80 80 ASN CA C 13 53.176 0.3 . 1 . . . . A 64 ASN CA . 36049 1 791 . 1 1 80 80 ASN CB C 13 39.394 0.3 . 1 . . . . A 64 ASN CB . 36049 1 792 . 1 1 80 80 ASN N N 15 116.284 0.3 . 1 . . . . A 64 ASN N . 36049 1 793 . 1 1 80 80 ASN ND2 N 15 112.994 0.3 . 1 . . . . A 64 ASN ND2 . 36049 1 794 . 1 1 81 81 LEU H H 1 7.450 0.020 . 1 . . . . A 65 LEU H . 36049 1 795 . 1 1 81 81 LEU HA H 1 4.093 0.020 . 1 . . . . A 65 LEU HA . 36049 1 796 . 1 1 81 81 LEU HB2 H 1 1.719 0.020 . 2 . . . . A 65 LEU HB2 . 36049 1 797 . 1 1 81 81 LEU HB3 H 1 1.557 0.020 . 2 . . . . A 65 LEU HB3 . 36049 1 798 . 1 1 81 81 LEU HG H 1 1.783 0.020 . 1 . . . . A 65 LEU HG . 36049 1 799 . 1 1 81 81 LEU HD11 H 1 0.911 0.020 . 2 . . . . A 65 LEU HD11 . 36049 1 800 . 1 1 81 81 LEU HD12 H 1 0.911 0.020 . 2 . . . . A 65 LEU HD12 . 36049 1 801 . 1 1 81 81 LEU HD13 H 1 0.911 0.020 . 2 . . . . A 65 LEU HD13 . 36049 1 802 . 1 1 81 81 LEU HD21 H 1 0.854 0.020 . 2 . . . . A 65 LEU HD21 . 36049 1 803 . 1 1 81 81 LEU HD22 H 1 0.854 0.020 . 2 . . . . A 65 LEU HD22 . 36049 1 804 . 1 1 81 81 LEU HD23 H 1 0.854 0.020 . 2 . . . . A 65 LEU HD23 . 36049 1 805 . 1 1 81 81 LEU C C 13 178.928 0.3 . 1 . . . . A 65 LEU C . 36049 1 806 . 1 1 81 81 LEU CA C 13 56.765 0.3 . 1 . . . . A 65 LEU CA . 36049 1 807 . 1 1 81 81 LEU CB C 13 42.791 0.3 . 1 . . . . A 65 LEU CB . 36049 1 808 . 1 1 81 81 LEU CG C 13 26.923 0.3 . 1 . . . . A 65 LEU CG . 36049 1 809 . 1 1 81 81 LEU CD1 C 13 25.648 0.3 . 1 . . . . A 65 LEU CD1 . 36049 1 810 . 1 1 81 81 LEU CD2 C 13 23.620 0.3 . 1 . . . . A 65 LEU CD2 . 36049 1 811 . 1 1 81 81 LEU N N 15 125.153 0.3 . 1 . . . . A 65 LEU N . 36049 1 stop_ save_