data_30042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30042 _Entry.Title ; Murin CXCL13 solution structure featuring a folded N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-25 _Entry.Accession_date 2016-03-25 _Entry.Last_release_date 2016-06-10 _Entry.Original_release_date 2016-06-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 Y. Monneau Y. R. . . 30042 2 H. Lortat-Jacob . . . . 30042 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Chemokine structure N-terminal domain conformational exchange' . 30042 'Signaling protein' . 30042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 30042 '15N chemical shifts' 91 30042 '1H chemical shifts' 647 30042 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 . . 2018-03-16 2016-03-25 update BMRB 'update entry citation' 30042 1 . . 2017-03-30 2016-03-25 original author 'original release' 30042 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IZB 'BMRB Entry Tracking System' 30042 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30042 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29070611 _Citation.Full_citation . _Citation.Title ; Solution structure of CXCL13 and heparan sulfate binding show that GAG binding site and cellular signalling rely on distinct domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Open Biol.' _Citation.Journal_name_full 'Open biology' _Citation.Journal_volume 7 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2046-2441 _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 170133 _Citation.Page_last 170133 _Citation.Year 2017 _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 Yoan Monneau Y. R. . . 30042 1 2 Lingjie Luo L. . . . 30042 1 3 'Nehru Viji' Sankaranarayanan N. V. . . 30042 1 4 Balaji Nagarajan B. . . . 30042 1 5 Romain Vives R. R. . . 30042 1 6 Francoise Baleux F. . . . 30042 1 7 Umesh Desai U. R. . . 30042 1 8 Fernando Arenzana-Seidedos F. . . . 30042 1 9 Hugues Lortat-Jacob H. . . . 30042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30042 _Assembly.ID 1 _Assembly.Name 'C-X-C motif chemokine 13' _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 $entity_1 A A yes . . . . . . 30042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MILEAHYTNLKCRCSGVIST VVGLNIIDRIQVTPPGNGCP KTEVVIWTKMKKVICVNPRA KWLQRLLRHVQSKSLSSTPQ APVSKRRAA ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9938.868 _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 'B lymphocyte chemoattractant' na 30042 1 'CXC chemokine BLC' na 30042 1 'Small-inducible cytokine B13' na 30042 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 1 MET . 30042 1 2 2 ILE . 30042 1 3 3 LEU . 30042 1 4 4 GLU . 30042 1 5 5 ALA . 30042 1 6 6 HIS . 30042 1 7 7 TYR . 30042 1 8 8 THR . 30042 1 9 9 ASN . 30042 1 10 10 LEU . 30042 1 11 11 LYS . 30042 1 12 12 CYS . 30042 1 13 13 ARG . 30042 1 14 14 CYS . 30042 1 15 15 SER . 30042 1 16 16 GLY . 30042 1 17 17 VAL . 30042 1 18 18 ILE . 30042 1 19 19 SER . 30042 1 20 20 THR . 30042 1 21 21 VAL . 30042 1 22 22 VAL . 30042 1 23 23 GLY . 30042 1 24 24 LEU . 30042 1 25 25 ASN . 30042 1 26 26 ILE . 30042 1 27 27 ILE . 30042 1 28 28 ASP . 30042 1 29 29 ARG . 30042 1 30 30 ILE . 30042 1 31 31 GLN . 30042 1 32 32 VAL . 30042 1 33 33 THR . 30042 1 34 34 PRO . 30042 1 35 35 PRO . 30042 1 36 36 GLY . 30042 1 37 37 ASN . 30042 1 38 38 GLY . 30042 1 39 39 CYS . 30042 1 40 40 PRO . 30042 1 41 41 LYS . 30042 1 42 42 THR . 30042 1 43 43 GLU . 30042 1 44 44 VAL . 30042 1 45 45 VAL . 30042 1 46 46 ILE . 30042 1 47 47 TRP . 30042 1 48 48 THR . 30042 1 49 49 LYS . 30042 1 50 50 MET . 30042 1 51 51 LYS . 30042 1 52 52 LYS . 30042 1 53 53 VAL . 30042 1 54 54 ILE . 30042 1 55 55 CYS . 30042 1 56 56 VAL . 30042 1 57 57 ASN . 30042 1 58 58 PRO . 30042 1 59 59 ARG . 30042 1 60 60 ALA . 30042 1 61 61 LYS . 30042 1 62 62 TRP . 30042 1 63 63 LEU . 30042 1 64 64 GLN . 30042 1 65 65 ARG . 30042 1 66 66 LEU . 30042 1 67 67 LEU . 30042 1 68 68 ARG . 30042 1 69 69 HIS . 30042 1 70 70 VAL . 30042 1 71 71 GLN . 30042 1 72 72 SER . 30042 1 73 73 LYS . 30042 1 74 74 SER . 30042 1 75 75 LEU . 30042 1 76 76 SER . 30042 1 77 77 SER . 30042 1 78 78 THR . 30042 1 79 79 PRO . 30042 1 80 80 GLN . 30042 1 81 81 ALA . 30042 1 82 82 PRO . 30042 1 83 83 VAL . 30042 1 84 84 SER . 30042 1 85 85 LYS . 30042 1 86 86 ARG . 30042 1 87 87 ARG . 30042 1 88 88 ALA . 30042 1 89 89 ALA . 30042 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 30042 1 . ILE 2 2 30042 1 . LEU 3 3 30042 1 . GLU 4 4 30042 1 . ALA 5 5 30042 1 . HIS 6 6 30042 1 . TYR 7 7 30042 1 . THR 8 8 30042 1 . ASN 9 9 30042 1 . LEU 10 10 30042 1 . LYS 11 11 30042 1 . CYS 12 12 30042 1 . ARG 13 13 30042 1 . CYS 14 14 30042 1 . SER 15 15 30042 1 . GLY 16 16 30042 1 . VAL 17 17 30042 1 . ILE 18 18 30042 1 . SER 19 19 30042 1 . THR 20 20 30042 1 . VAL 21 21 30042 1 . VAL 22 22 30042 1 . GLY 23 23 30042 1 . LEU 24 24 30042 1 . ASN 25 25 30042 1 . ILE 26 26 30042 1 . ILE 27 27 30042 1 . ASP 28 28 30042 1 . ARG 29 29 30042 1 . ILE 30 30 30042 1 . GLN 31 31 30042 1 . VAL 32 32 30042 1 . THR 33 33 30042 1 . PRO 34 34 30042 1 . PRO 35 35 30042 1 . GLY 36 36 30042 1 . ASN 37 37 30042 1 . GLY 38 38 30042 1 . CYS 39 39 30042 1 . PRO 40 40 30042 1 . LYS 41 41 30042 1 . THR 42 42 30042 1 . GLU 43 43 30042 1 . VAL 44 44 30042 1 . VAL 45 45 30042 1 . ILE 46 46 30042 1 . TRP 47 47 30042 1 . THR 48 48 30042 1 . LYS 49 49 30042 1 . MET 50 50 30042 1 . LYS 51 51 30042 1 . LYS 52 52 30042 1 . VAL 53 53 30042 1 . ILE 54 54 30042 1 . CYS 55 55 30042 1 . VAL 56 56 30042 1 . ASN 57 57 30042 1 . PRO 58 58 30042 1 . ARG 59 59 30042 1 . ALA 60 60 30042 1 . LYS 61 61 30042 1 . TRP 62 62 30042 1 . LEU 63 63 30042 1 . GLN 64 64 30042 1 . ARG 65 65 30042 1 . LEU 66 66 30042 1 . LEU 67 67 30042 1 . ARG 68 68 30042 1 . HIS 69 69 30042 1 . VAL 70 70 30042 1 . GLN 71 71 30042 1 . SER 72 72 30042 1 . LYS 73 73 30042 1 . SER 74 74 30042 1 . LEU 75 75 30042 1 . SER 76 76 30042 1 . SER 77 77 30042 1 . THR 78 78 30042 1 . PRO 79 79 30042 1 . GLN 80 80 30042 1 . ALA 81 81 30042 1 . PRO 82 82 30042 1 . VAL 83 83 30042 1 . SER 84 84 30042 1 . LYS 85 85 30042 1 . ARG 86 86 30042 1 . ARG 87 87 30042 1 . ALA 88 88 30042 1 . ALA 89 89 30042 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 30042 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Cxcl13, Blc, Scyb13' . 30042 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 30042 _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 . . . 'codon plus' . plasmid . . pET17b . . . 30042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30042 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '850 uM U-[15N] CXCL13, 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 CXCL13 [U-15N] . . 1 $entity_1 . . 850 . . uM . . . . 30042 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30042 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30042 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30042 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '280 uM U-[13C,15N] CXCL13, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL13 '[U-13C; U-15N]' . . 1 $entity_1 . . 280 . . uM . . . . 30042 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30042 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30042 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30042 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '280 uM U-[13C,15N] CXCL13, 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 CXCL13 '[U-13C; U-15N]' . . 1 $entity_1 . . 280 . . uM . . . . 30042 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30042 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30042 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30042 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '280 uM [U-10% 13C; U-100% 15N] CXCL13, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL13 '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 280 . . uM . . . . 30042 4 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30042 4 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30042 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 30042 _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' 120 . mM 30042 1 pH 6 . pH 30042 1 pressure 1 . atm 30042 1 temperature 298 . K 30042 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30042 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30042 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30042 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee et al. Bioinformatics 2015 Apr 15; 31(8):1325-7' . . 30042 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30042 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30042 _Software.ID 3 _Software.Type . _Software.Name cyana _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P., Mumenthaler, C., & Wuthrich, K., Herrmann, T.,' . . 30042 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30042 3 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 30042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30042 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30042 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30042 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 30042 _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 AvanceIII . 600 . . . 30042 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 30042 1 3 NMR_spectrometer_3 Bruker AvanceIII . 950 . . . 30042 1 4 NMR_spectrometer_4 Bruker AvanceIII . 850 . . . 30042 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 30042 _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 '3D 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30042 1 2 '3D 13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30042 1 3 '3D 13C-HMQC-NOESY-13C,1H-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30042 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 5 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 7 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 8 '3D HACACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 9 '3D H(C)CH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30042 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30042 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 14 '2D 1H-13C CT-HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30042 1 15 '2D COSYdqf' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30042 1 16 '2D TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30042 1 17 '2D CBCGCDHD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 1 18 '3D HNCOCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30042 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 30042 _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 0.25144953 . . . . . 30042 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30042 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30042 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 30042 _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 '3D 15N-edited NOESY' . . . 30042 1 4 '3D HNCACB' . . . 30042 1 5 '3D HNCA' . . . 30042 1 6 '3D CBCA(CO)NH' . . . 30042 1 7 '3D HNCO' . . . 30042 1 8 '3D HACACO' . . . 30042 1 9 '3D H(C)CH-TOCSY' . . . 30042 1 10 '3D (H)CCH-TOCSY' . . . 30042 1 11 '2D 1H-13C HSQC aliphatic' . . . 30042 1 12 '2D 1H-13C HSQC aromatic' . . . 30042 1 13 '2D 1H-15N HSQC' . . . 30042 1 14 '2D 1H-13C CT-HSQC aliphatic' . . . 30042 1 15 '2D COSYdqf' . . . 30042 1 16 '2D TOCSY' . . . 30042 1 17 '2D CBCGCDHD' . . . 30042 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30042 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 1 1 MET HE1 H 1 2.071 0.00 . 5 . . . . A 1 MET HE1 . 30042 1 2 . 1 1 1 1 MET HE2 H 1 2.071 0.00 . 5 . . . . A 1 MET HE2 . 30042 1 3 . 1 1 1 1 MET HE3 H 1 2.071 0.00 . 5 . . . . A 1 MET HE3 . 30042 1 4 . 1 1 1 1 MET CE C 13 17.399 0.00 . 5 . . . . A 1 MET CE . 30042 1 5 . 1 1 2 2 ILE HA H 1 4.331 0.00 . 1 . . . . A 2 ILE HA . 30042 1 6 . 1 1 2 2 ILE HB H 1 1.741 0.00 . 1 . . . . A 2 ILE HB . 30042 1 7 . 1 1 2 2 ILE HG12 H 1 1.155 0.01 . 2 . . . . A 2 ILE HG12 . 30042 1 8 . 1 1 2 2 ILE HG13 H 1 1.528 0.01 . 2 . . . . A 2 ILE HG13 . 30042 1 9 . 1 1 2 2 ILE HG21 H 1 0.873 0.01 . 1 . . . . A 2 ILE HG21 . 30042 1 10 . 1 1 2 2 ILE HG22 H 1 0.873 0.01 . 1 . . . . A 2 ILE HG22 . 30042 1 11 . 1 1 2 2 ILE HG23 H 1 0.873 0.01 . 1 . . . . A 2 ILE HG23 . 30042 1 12 . 1 1 2 2 ILE HD11 H 1 0.835 0.00 . 1 . . . . A 2 ILE HD11 . 30042 1 13 . 1 1 2 2 ILE HD12 H 1 0.835 0.00 . 1 . . . . A 2 ILE HD12 . 30042 1 14 . 1 1 2 2 ILE HD13 H 1 0.835 0.00 . 1 . . . . A 2 ILE HD13 . 30042 1 15 . 1 1 2 2 ILE CA C 13 60.660 0.12 . 1 . . . . A 2 ILE CA . 30042 1 16 . 1 1 2 2 ILE CB C 13 40.211 0.09 . 1 . . . . A 2 ILE CB . 30042 1 17 . 1 1 2 2 ILE CG1 C 13 27.509 0.05 . 1 . . . . A 2 ILE CG1 . 30042 1 18 . 1 1 2 2 ILE CG2 C 13 17.513 0.06 . 1 . . . . A 2 ILE CG2 . 30042 1 19 . 1 1 2 2 ILE CD1 C 13 13.053 0.09 . 1 . . . . A 2 ILE CD1 . 30042 1 20 . 1 1 3 3 LEU H H 1 8.492 0.00 . 1 . . . . A 3 LEU H . 30042 1 21 . 1 1 3 3 LEU HA H 1 4.855 0.00 . 1 . . . . A 3 LEU HA . 30042 1 22 . 1 1 3 3 LEU HB2 H 1 1.390 0.00 . 2 . . . . A 3 LEU HB2 . 30042 1 23 . 1 1 3 3 LEU HB3 H 1 1.694 0.01 . 2 . . . . A 3 LEU HB3 . 30042 1 24 . 1 1 3 3 LEU HG H 1 1.510 0.01 . 1 . . . . A 3 LEU HG . 30042 1 25 . 1 1 3 3 LEU HD11 H 1 0.852 0.00 . 1 . . . . A 3 LEU HD11 . 30042 1 26 . 1 1 3 3 LEU HD12 H 1 0.852 0.00 . 1 . . . . A 3 LEU HD12 . 30042 1 27 . 1 1 3 3 LEU HD13 H 1 0.852 0.00 . 1 . . . . A 3 LEU HD13 . 30042 1 28 . 1 1 3 3 LEU HD21 H 1 0.855 0.00 . 1 . . . . A 3 LEU HD21 . 30042 1 29 . 1 1 3 3 LEU HD22 H 1 0.855 0.00 . 1 . . . . A 3 LEU HD22 . 30042 1 30 . 1 1 3 3 LEU HD23 H 1 0.855 0.00 . 1 . . . . A 3 LEU HD23 . 30042 1 31 . 1 1 3 3 LEU CA C 13 54.166 0.05 . 1 . . . . A 3 LEU CA . 30042 1 32 . 1 1 3 3 LEU CB C 13 43.538 0.03 . 1 . . . . A 3 LEU CB . 30042 1 33 . 1 1 3 3 LEU CG C 13 27.654 0.05 . 1 . . . . A 3 LEU CG . 30042 1 34 . 1 1 3 3 LEU CD1 C 13 24.912 0.06 . 1 . . . . A 3 LEU CD1 . 30042 1 35 . 1 1 3 3 LEU CD2 C 13 25.320 0.05 . 1 . . . . A 3 LEU CD2 . 30042 1 36 . 1 1 3 3 LEU N N 15 128.374 0.03 . 1 . . . . A 3 LEU N . 30042 1 37 . 1 1 4 4 GLU H H 1 8.841 0.01 . 1 . . . . A 4 GLU H . 30042 1 38 . 1 1 4 4 GLU HA H 1 4.554 0.01 . 1 . . . . A 4 GLU HA . 30042 1 39 . 1 1 4 4 GLU HB2 H 1 1.960 0.01 . 2 . . . . A 4 GLU HB2 . 30042 1 40 . 1 1 4 4 GLU HB3 H 1 2.031 0.00 . 2 . . . . A 4 GLU HB3 . 30042 1 41 . 1 1 4 4 GLU HG2 H 1 2.158 0.00 . 2 . . . . A 4 GLU HG2 . 30042 1 42 . 1 1 4 4 GLU HG3 H 1 2.181 0.00 . 2 . . . . A 4 GLU HG3 . 30042 1 43 . 1 1 4 4 GLU CA C 13 55.454 0.10 . 1 . . . . A 4 GLU CA . 30042 1 44 . 1 1 4 4 GLU CB C 13 31.966 0.07 . 1 . . . . A 4 GLU CB . 30042 1 45 . 1 1 4 4 GLU CG C 13 36.533 0.03 . 1 . . . . A 4 GLU CG . 30042 1 46 . 1 1 4 4 GLU N N 15 125.696 0.00 . 1 . . . . A 4 GLU N . 30042 1 47 . 1 1 5 5 ALA H H 1 8.411 0.00 . 1 . . . . A 5 ALA H . 30042 1 48 . 1 1 5 5 ALA HA H 1 4.597 0.01 . 1 . . . . A 5 ALA HA . 30042 1 49 . 1 1 5 5 ALA HB1 H 1 1.261 0.01 . 1 . . . . A 5 ALA HB1 . 30042 1 50 . 1 1 5 5 ALA HB2 H 1 1.261 0.01 . 1 . . . . A 5 ALA HB2 . 30042 1 51 . 1 1 5 5 ALA HB3 H 1 1.261 0.01 . 1 . . . . A 5 ALA HB3 . 30042 1 52 . 1 1 5 5 ALA CA C 13 51.983 0.01 . 1 . . . . A 5 ALA CA . 30042 1 53 . 1 1 5 5 ALA CB C 13 19.664 0.04 . 1 . . . . A 5 ALA CB . 30042 1 54 . 1 1 5 5 ALA N N 15 125.862 0.03 . 1 . . . . A 5 ALA N . 30042 1 55 . 1 1 6 6 HIS H H 1 8.330 0.00 . 1 . . . . A 6 HIS H . 30042 1 56 . 1 1 6 6 HIS HA H 1 4.718 0.00 . 1 . . . . A 6 HIS HA . 30042 1 57 . 1 1 6 6 HIS HB2 H 1 3.128 0.06 . 2 . . . . A 6 HIS HB2 . 30042 1 58 . 1 1 6 6 HIS HB3 H 1 2.988 0.07 . 2 . . . . A 6 HIS HB3 . 30042 1 59 . 1 1 6 6 HIS HD2 H 1 7.054 0.00 . 1 . . . . A 6 HIS HD2 . 30042 1 60 . 1 1 6 6 HIS HE1 H 1 8.295 0.00 . 1 . . . . A 6 HIS HE1 . 30042 1 61 . 1 1 6 6 HIS CA C 13 54.816 0.03 . 1 . . . . A 6 HIS CA . 30042 1 62 . 1 1 6 6 HIS CB C 13 30.466 0.11 . 1 . . . . A 6 HIS CB . 30042 1 63 . 1 1 6 6 HIS CD2 C 13 119.626 0.00 . 1 . . . . A 6 HIS CD2 . 30042 1 64 . 1 1 6 6 HIS CE1 C 13 136.851 0.00 . 1 . . . . A 6 HIS CE1 . 30042 1 65 . 1 1 6 6 HIS N N 15 119.574 0.00 . 1 . . . . A 6 HIS N . 30042 1 66 . 1 1 7 7 TYR H H 1 8.255 0.00 . 1 . . . . A 7 TYR H . 30042 1 67 . 1 1 7 7 TYR HA H 1 4.626 0.01 . 1 . . . . A 7 TYR HA . 30042 1 68 . 1 1 7 7 TYR HB2 H 1 3.054 0.01 . 2 . . . . A 7 TYR HB2 . 30042 1 69 . 1 1 7 7 TYR HB3 H 1 2.911 0.01 . 2 . . . . A 7 TYR HB3 . 30042 1 70 . 1 1 7 7 TYR HD1 H 1 7.088 0.00 . 3 . . . . A 7 TYR HD1 . 30042 1 71 . 1 1 7 7 TYR HD2 H 1 7.089 0.00 . 3 . . . . A 7 TYR HD2 . 30042 1 72 . 1 1 7 7 TYR HE1 H 1 6.781 0.00 . 3 . . . . A 7 TYR HE1 . 30042 1 73 . 1 1 7 7 TYR HE2 H 1 6.783 0.00 . 3 . . . . A 7 TYR HE2 . 30042 1 74 . 1 1 7 7 TYR CA C 13 57.849 0.04 . 1 . . . . A 7 TYR CA . 30042 1 75 . 1 1 7 7 TYR CB C 13 38.899 0.07 . 1 . . . . A 7 TYR CB . 30042 1 76 . 1 1 7 7 TYR CD1 C 13 133.194 0.00 . 3 . . . . A 7 TYR CD1 . 30042 1 77 . 1 1 7 7 TYR CD2 C 13 133.210 0.00 . 3 . . . . A 7 TYR CD2 . 30042 1 78 . 1 1 7 7 TYR CE1 C 13 118.307 0.00 . 3 . . . . A 7 TYR CE1 . 30042 1 79 . 1 1 7 7 TYR CE2 C 13 118.269 0.00 . 3 . . . . A 7 TYR CE2 . 30042 1 80 . 1 1 7 7 TYR N N 15 122.716 0.00 . 1 . . . . A 7 TYR N . 30042 1 81 . 1 1 8 8 THR H H 1 8.023 0.00 . 1 . . . . A 8 THR H . 30042 1 82 . 1 1 8 8 THR HA H 1 4.312 0.01 . 1 . . . . A 8 THR HA . 30042 1 83 . 1 1 8 8 THR HB H 1 4.135 0.02 . 1 . . . . A 8 THR HB . 30042 1 84 . 1 1 8 8 THR HG21 H 1 1.112 0.00 . 1 . . . . A 8 THR HG21 . 30042 1 85 . 1 1 8 8 THR HG22 H 1 1.112 0.00 . 1 . . . . A 8 THR HG22 . 30042 1 86 . 1 1 8 8 THR HG23 H 1 1.112 0.00 . 1 . . . . A 8 THR HG23 . 30042 1 87 . 1 1 8 8 THR CA C 13 61.557 0.15 . 1 . . . . A 8 THR CA . 30042 1 88 . 1 1 8 8 THR CB C 13 69.948 0.09 . 1 . . . . A 8 THR CB . 30042 1 89 . 1 1 8 8 THR CG2 C 13 21.374 0.03 . 1 . . . . A 8 THR CG2 . 30042 1 90 . 1 1 8 8 THR N N 15 115.692 0.01 . 1 . . . . A 8 THR N . 30042 1 91 . 1 1 9 9 ASN H H 1 8.324 0.00 . 1 . . . . A 9 ASN H . 30042 1 92 . 1 1 9 9 ASN HA H 1 4.929 0.01 . 1 . . . . A 9 ASN HA . 30042 1 93 . 1 1 9 9 ASN HB2 H 1 2.865 0.01 . 2 . . . . A 9 ASN HB2 . 30042 1 94 . 1 1 9 9 ASN HB3 H 1 2.767 0.01 . 2 . . . . A 9 ASN HB3 . 30042 1 95 . 1 1 9 9 ASN HD21 H 1 6.978 0.00 . 2 . . . . A 9 ASN HD21 . 30042 1 96 . 1 1 9 9 ASN HD22 H 1 7.607 0.00 . 2 . . . . A 9 ASN HD22 . 30042 1 97 . 1 1 9 9 ASN CA C 13 53.245 0.05 . 1 . . . . A 9 ASN CA . 30042 1 98 . 1 1 9 9 ASN CB C 13 39.323 0.06 . 1 . . . . A 9 ASN CB . 30042 1 99 . 1 1 9 9 ASN N N 15 120.924 0.00 . 1 . . . . A 9 ASN N . 30042 1 100 . 1 1 9 9 ASN ND2 N 15 114.513 0.02 . 1 . . . . A 9 ASN ND2 . 30042 1 101 . 1 1 10 10 LEU H H 1 8.230 0.00 . 1 . . . . A 10 LEU H . 30042 1 102 . 1 1 10 10 LEU HA H 1 4.368 0.01 . 1 . . . . A 10 LEU HA . 30042 1 103 . 1 1 10 10 LEU HB2 H 1 1.656 0.00 . 2 . . . . A 10 LEU HB2 . 30042 1 104 . 1 1 10 10 LEU HB3 H 1 1.720 0.00 . 2 . . . . A 10 LEU HB3 . 30042 1 105 . 1 1 10 10 LEU HG H 1 1.677 0.00 . 1 . . . . A 10 LEU HG . 30042 1 106 . 1 1 10 10 LEU HD11 H 1 0.918 0.02 . 1 . . . . A 10 LEU HD11 . 30042 1 107 . 1 1 10 10 LEU HD12 H 1 0.918 0.02 . 1 . . . . A 10 LEU HD12 . 30042 1 108 . 1 1 10 10 LEU HD13 H 1 0.918 0.02 . 1 . . . . A 10 LEU HD13 . 30042 1 109 . 1 1 10 10 LEU HD21 H 1 0.863 0.00 . 1 . . . . A 10 LEU HD21 . 30042 1 110 . 1 1 10 10 LEU HD22 H 1 0.863 0.00 . 1 . . . . A 10 LEU HD22 . 30042 1 111 . 1 1 10 10 LEU HD23 H 1 0.863 0.00 . 1 . . . . A 10 LEU HD23 . 30042 1 112 . 1 1 10 10 LEU CA C 13 55.509 0.07 . 1 . . . . A 10 LEU CA . 30042 1 113 . 1 1 10 10 LEU CB C 13 42.755 0.10 . 1 . . . . A 10 LEU CB . 30042 1 114 . 1 1 10 10 LEU CG C 13 27.174 0.05 . 1 . . . . A 10 LEU CG . 30042 1 115 . 1 1 10 10 LEU CD1 C 13 25.190 0.08 . 1 . . . . A 10 LEU CD1 . 30042 1 116 . 1 1 10 10 LEU CD2 C 13 23.083 0.06 . 1 . . . . A 10 LEU CD2 . 30042 1 117 . 1 1 10 10 LEU N N 15 122.152 0.07 . 1 . . . . A 10 LEU N . 30042 1 118 . 1 1 11 11 LYS H H 1 7.761 0.01 . 1 . . . . A 11 LYS H . 30042 1 119 . 1 1 11 11 LYS HA H 1 4.447 0.01 . 1 . . . . A 11 LYS HA . 30042 1 120 . 1 1 11 11 LYS HB2 H 1 1.929 0.00 . 2 . . . . A 11 LYS HB2 . 30042 1 121 . 1 1 11 11 LYS HB3 H 1 1.747 0.01 . 2 . . . . A 11 LYS HB3 . 30042 1 122 . 1 1 11 11 LYS HG2 H 1 1.401 0.01 . 2 . . . . A 11 LYS HG2 . 30042 1 123 . 1 1 11 11 LYS HG3 H 1 1.434 0.00 . 2 . . . . A 11 LYS HG3 . 30042 1 124 . 1 1 11 11 LYS HD2 H 1 1.717 0.00 . 2 . . . . A 11 LYS HD2 . 30042 1 125 . 1 1 11 11 LYS HD3 H 1 1.715 0.00 . 2 . . . . A 11 LYS HD3 . 30042 1 126 . 1 1 11 11 LYS HE2 H 1 3.009 0.00 . 2 . . . . A 11 LYS HE2 . 30042 1 127 . 1 1 11 11 LYS HE3 H 1 3.008 0.00 . 2 . . . . A 11 LYS HE3 . 30042 1 128 . 1 1 11 11 LYS CA C 13 55.213 0.07 . 1 . . . . A 11 LYS CA . 30042 1 129 . 1 1 11 11 LYS CB C 13 33.503 0.06 . 1 . . . . A 11 LYS CB . 30042 1 130 . 1 1 11 11 LYS CG C 13 24.528 0.13 . 1 . . . . A 11 LYS CG . 30042 1 131 . 1 1 11 11 LYS CD C 13 29.002 0.05 . 1 . . . . A 11 LYS CD . 30042 1 132 . 1 1 11 11 LYS CE C 13 42.101 0.07 . 1 . . . . A 11 LYS CE . 30042 1 133 . 1 1 11 11 LYS N N 15 116.906 0.06 . 1 . . . . A 11 LYS N . 30042 1 134 . 1 1 12 12 CYS H H 1 8.172 0.01 . 1 . . . . A 12 CYS H . 30042 1 135 . 1 1 12 12 CYS HA H 1 4.607 0.00 . 1 . . . . A 12 CYS HA . 30042 1 136 . 1 1 12 12 CYS HB2 H 1 3.903 0.01 . 2 . . . . A 12 CYS HB2 . 30042 1 137 . 1 1 12 12 CYS HB3 H 1 2.680 0.01 . 2 . . . . A 12 CYS HB3 . 30042 1 138 . 1 1 12 12 CYS CA C 13 54.556 0.04 . 1 . . . . A 12 CYS CA . 30042 1 139 . 1 1 12 12 CYS CB C 13 38.200 0.00 . 1 . . . . A 12 CYS CB . 30042 1 140 . 1 1 12 12 CYS N N 15 118.580 0.00 . 1 . . . . A 12 CYS N . 30042 1 141 . 1 1 13 13 ARG H H 1 11.429 0.01 . 1 . . . . A 13 ARG H . 30042 1 142 . 1 1 13 13 ARG HA H 1 4.368 0.01 . 1 . . . . A 13 ARG HA . 30042 1 143 . 1 1 13 13 ARG HB2 H 1 1.871 0.00 . 2 . . . . A 13 ARG HB2 . 30042 1 144 . 1 1 13 13 ARG HB3 H 1 1.796 0.01 . 2 . . . . A 13 ARG HB3 . 30042 1 145 . 1 1 13 13 ARG HG2 H 1 1.688 0.01 . 2 . . . . A 13 ARG HG2 . 30042 1 146 . 1 1 13 13 ARG HG3 H 1 1.692 0.00 . 2 . . . . A 13 ARG HG3 . 30042 1 147 . 1 1 13 13 ARG HD2 H 1 3.249 0.01 . 2 . . . . A 13 ARG HD2 . 30042 1 148 . 1 1 13 13 ARG HD3 H 1 3.159 0.01 . 2 . . . . A 13 ARG HD3 . 30042 1 149 . 1 1 13 13 ARG CA C 13 57.229 0.12 . 1 . . . . A 13 ARG CA . 30042 1 150 . 1 1 13 13 ARG CB C 13 32.304 0.09 . 1 . . . . A 13 ARG CB . 30042 1 151 . 1 1 13 13 ARG CG C 13 27.375 0.09 . 1 . . . . A 13 ARG CG . 30042 1 152 . 1 1 13 13 ARG CD C 13 43.884 0.09 . 1 . . . . A 13 ARG CD . 30042 1 153 . 1 1 13 13 ARG N N 15 126.796 0.07 . 1 . . . . A 13 ARG N . 30042 1 154 . 1 1 14 14 CYS H H 1 9.349 0.00 . 1 . . . . A 14 CYS H . 30042 1 155 . 1 1 14 14 CYS HA H 1 4.827 0.00 . 1 . . . . A 14 CYS HA . 30042 1 156 . 1 1 14 14 CYS HB2 H 1 3.178 0.01 . 2 . . . . A 14 CYS HB2 . 30042 1 157 . 1 1 14 14 CYS HB3 H 1 2.964 0.00 . 2 . . . . A 14 CYS HB3 . 30042 1 158 . 1 1 14 14 CYS CA C 13 54.580 0.04 . 1 . . . . A 14 CYS CA . 30042 1 159 . 1 1 14 14 CYS CB C 13 42.811 0.11 . 1 . . . . A 14 CYS CB . 30042 1 160 . 1 1 14 14 CYS N N 15 120.748 0.00 . 1 . . . . A 14 CYS N . 30042 1 161 . 1 1 15 15 SER H H 1 8.796 0.00 . 1 . . . . A 15 SER H . 30042 1 162 . 1 1 15 15 SER N N 15 120.160 0.00 . 1 . . . . A 15 SER N . 30042 1 163 . 1 1 16 16 GLY H H 1 7.912 0.00 . 1 . . . . A 16 GLY H . 30042 1 164 . 1 1 16 16 GLY HA2 H 1 3.930 0.01 . 2 . . . . A 16 GLY HA2 . 30042 1 165 . 1 1 16 16 GLY HA3 H 1 4.068 0.01 . 2 . . . . A 16 GLY HA3 . 30042 1 166 . 1 1 16 16 GLY CA C 13 44.669 0.08 . 1 . . . . A 16 GLY CA . 30042 1 167 . 1 1 16 16 GLY N N 15 110.928 0.01 . 1 . . . . A 16 GLY N . 30042 1 168 . 1 1 17 17 VAL H H 1 8.114 0.01 . 1 . . . . A 17 VAL H . 30042 1 169 . 1 1 17 17 VAL HA H 1 4.546 0.01 . 1 . . . . A 17 VAL HA . 30042 1 170 . 1 1 17 17 VAL HB H 1 1.905 0.01 . 1 . . . . A 17 VAL HB . 30042 1 171 . 1 1 17 17 VAL HG11 H 1 0.820 0.01 . 1 . . . . A 17 VAL HG11 . 30042 1 172 . 1 1 17 17 VAL HG12 H 1 0.820 0.01 . 1 . . . . A 17 VAL HG12 . 30042 1 173 . 1 1 17 17 VAL HG13 H 1 0.820 0.01 . 1 . . . . A 17 VAL HG13 . 30042 1 174 . 1 1 17 17 VAL HG21 H 1 0.822 0.01 . 1 . . . . A 17 VAL HG21 . 30042 1 175 . 1 1 17 17 VAL HG22 H 1 0.822 0.01 . 1 . . . . A 17 VAL HG22 . 30042 1 176 . 1 1 17 17 VAL HG23 H 1 0.822 0.01 . 1 . . . . A 17 VAL HG23 . 30042 1 177 . 1 1 17 17 VAL CA C 13 59.955 0.06 . 1 . . . . A 17 VAL CA . 30042 1 178 . 1 1 17 17 VAL CB C 13 35.057 0.07 . 1 . . . . A 17 VAL CB . 30042 1 179 . 1 1 17 17 VAL CG1 C 13 22.144 0.07 . 1 . . . . A 17 VAL CG1 . 30042 1 180 . 1 1 17 17 VAL CG2 C 13 19.232 0.05 . 1 . . . . A 17 VAL CG2 . 30042 1 181 . 1 1 17 17 VAL N N 15 114.677 0.00 . 1 . . . . A 17 VAL N . 30042 1 182 . 1 1 18 18 ILE H H 1 8.390 0.00 . 1 . . . . A 18 ILE H . 30042 1 183 . 1 1 18 18 ILE HA H 1 4.623 0.01 . 1 . . . . A 18 ILE HA . 30042 1 184 . 1 1 18 18 ILE HB H 1 2.021 0.01 . 1 . . . . A 18 ILE HB . 30042 1 185 . 1 1 18 18 ILE HG12 H 1 1.525 0.00 . 2 . . . . A 18 ILE HG12 . 30042 1 186 . 1 1 18 18 ILE HG13 H 1 1.338 0.01 . 2 . . . . A 18 ILE HG13 . 30042 1 187 . 1 1 18 18 ILE HG21 H 1 1.010 0.01 . 1 . . . . A 18 ILE HG21 . 30042 1 188 . 1 1 18 18 ILE HG22 H 1 1.010 0.01 . 1 . . . . A 18 ILE HG22 . 30042 1 189 . 1 1 18 18 ILE HG23 H 1 1.010 0.01 . 1 . . . . A 18 ILE HG23 . 30042 1 190 . 1 1 18 18 ILE HD11 H 1 0.840 0.01 . 1 . . . . A 18 ILE HD11 . 30042 1 191 . 1 1 18 18 ILE HD12 H 1 0.840 0.01 . 1 . . . . A 18 ILE HD12 . 30042 1 192 . 1 1 18 18 ILE HD13 H 1 0.840 0.01 . 1 . . . . A 18 ILE HD13 . 30042 1 193 . 1 1 18 18 ILE CA C 13 60.184 0.04 . 1 . . . . A 18 ILE CA . 30042 1 194 . 1 1 18 18 ILE CB C 13 40.226 0.08 . 1 . . . . A 18 ILE CB . 30042 1 195 . 1 1 18 18 ILE CG1 C 13 26.923 0.09 . 1 . . . . A 18 ILE CG1 . 30042 1 196 . 1 1 18 18 ILE CG2 C 13 18.256 0.06 . 1 . . . . A 18 ILE CG2 . 30042 1 197 . 1 1 18 18 ILE CD1 C 13 13.548 0.10 . 1 . . . . A 18 ILE CD1 . 30042 1 198 . 1 1 18 18 ILE N N 15 121.062 0.03 . 1 . . . . A 18 ILE N . 30042 1 199 . 1 1 19 19 SER H H 1 9.101 0.00 . 1 . . . . A 19 SER H . 30042 1 200 . 1 1 19 19 SER N N 15 119.217 0.00 . 1 . . . . A 19 SER N . 30042 1 201 . 1 1 20 20 THR H H 1 7.411 0.01 . 1 . . . . A 20 THR H . 30042 1 202 . 1 1 20 20 THR HA H 1 4.273 0.00 . 1 . . . . A 20 THR HA . 30042 1 203 . 1 1 20 20 THR HB H 1 4.110 0.01 . 1 . . . . A 20 THR HB . 30042 1 204 . 1 1 20 20 THR HG21 H 1 1.203 0.01 . 1 . . . . A 20 THR HG21 . 30042 1 205 . 1 1 20 20 THR HG22 H 1 1.203 0.01 . 1 . . . . A 20 THR HG22 . 30042 1 206 . 1 1 20 20 THR HG23 H 1 1.203 0.01 . 1 . . . . A 20 THR HG23 . 30042 1 207 . 1 1 20 20 THR CA C 13 61.404 0.08 . 1 . . . . A 20 THR CA . 30042 1 208 . 1 1 20 20 THR CB C 13 69.758 0.06 . 1 . . . . A 20 THR CB . 30042 1 209 . 1 1 20 20 THR CG2 C 13 21.788 0.15 . 1 . . . . A 20 THR CG2 . 30042 1 210 . 1 1 20 20 THR N N 15 116.301 0.00 . 1 . . . . A 20 THR N . 30042 1 211 . 1 1 21 21 VAL H H 1 7.716 0.00 . 1 . . . . A 21 VAL H . 30042 1 212 . 1 1 21 21 VAL HA H 1 2.194 0.01 . 1 . . . . A 21 VAL HA . 30042 1 213 . 1 1 21 21 VAL HB H 1 1.446 0.01 . 1 . . . . A 21 VAL HB . 30042 1 214 . 1 1 21 21 VAL HG11 H 1 0.283 0.01 . 1 . . . . A 21 VAL HG11 . 30042 1 215 . 1 1 21 21 VAL HG12 H 1 0.283 0.01 . 1 . . . . A 21 VAL HG12 . 30042 1 216 . 1 1 21 21 VAL HG13 H 1 0.283 0.01 . 1 . . . . A 21 VAL HG13 . 30042 1 217 . 1 1 21 21 VAL HG21 H 1 0.503 0.05 . 1 . . . . A 21 VAL HG21 . 30042 1 218 . 1 1 21 21 VAL HG22 H 1 0.503 0.05 . 1 . . . . A 21 VAL HG22 . 30042 1 219 . 1 1 21 21 VAL HG23 H 1 0.503 0.05 . 1 . . . . A 21 VAL HG23 . 30042 1 220 . 1 1 21 21 VAL CA C 13 62.729 0.09 . 1 . . . . A 21 VAL CA . 30042 1 221 . 1 1 21 21 VAL CB C 13 32.283 0.08 . 1 . . . . A 21 VAL CB . 30042 1 222 . 1 1 21 21 VAL CG1 C 13 20.372 0.07 . 1 . . . . A 21 VAL CG1 . 30042 1 223 . 1 1 21 21 VAL CG2 C 13 21.088 0.04 . 1 . . . . A 21 VAL CG2 . 30042 1 224 . 1 1 21 21 VAL N N 15 120.639 0.00 . 1 . . . . A 21 VAL N . 30042 1 225 . 1 1 22 22 VAL H H 1 5.164 0.04 . 1 . . . . A 22 VAL H . 30042 1 226 . 1 1 22 22 VAL HA H 1 3.799 0.00 . 1 . . . . A 22 VAL HA . 30042 1 227 . 1 1 22 22 VAL HB H 1 1.645 0.01 . 1 . . . . A 22 VAL HB . 30042 1 228 . 1 1 22 22 VAL HG11 H 1 0.783 0.00 . 1 . . . . A 22 VAL HG11 . 30042 1 229 . 1 1 22 22 VAL HG12 H 1 0.783 0.00 . 1 . . . . A 22 VAL HG12 . 30042 1 230 . 1 1 22 22 VAL HG13 H 1 0.783 0.00 . 1 . . . . A 22 VAL HG13 . 30042 1 231 . 1 1 22 22 VAL HG21 H 1 0.778 0.01 . 1 . . . . A 22 VAL HG21 . 30042 1 232 . 1 1 22 22 VAL HG22 H 1 0.778 0.01 . 1 . . . . A 22 VAL HG22 . 30042 1 233 . 1 1 22 22 VAL HG23 H 1 0.778 0.01 . 1 . . . . A 22 VAL HG23 . 30042 1 234 . 1 1 22 22 VAL CA C 13 60.848 0.07 . 1 . . . . A 22 VAL CA . 30042 1 235 . 1 1 22 22 VAL CB C 13 33.476 0.05 . 1 . . . . A 22 VAL CB . 30042 1 236 . 1 1 22 22 VAL CG1 C 13 21.370 0.04 . 1 . . . . A 22 VAL CG1 . 30042 1 237 . 1 1 22 22 VAL CG2 C 13 21.212 0.08 . 1 . . . . A 22 VAL CG2 . 30042 1 238 . 1 1 22 22 VAL N N 15 125.638 0.13 . 1 . . . . A 22 VAL N . 30042 1 239 . 1 1 23 23 GLY H H 1 8.171 0.00 . 1 . . . . A 23 GLY H . 30042 1 240 . 1 1 23 23 GLY HA2 H 1 3.567 0.01 . 2 . . . . A 23 GLY HA2 . 30042 1 241 . 1 1 23 23 GLY HA3 H 1 3.782 0.01 . 2 . . . . A 23 GLY HA3 . 30042 1 242 . 1 1 23 23 GLY CA C 13 45.308 0.05 . 1 . . . . A 23 GLY CA . 30042 1 243 . 1 1 23 23 GLY N N 15 112.559 0.00 . 1 . . . . A 23 GLY N . 30042 1 244 . 1 1 24 24 LEU H H 1 8.118 0.00 . 1 . . . . A 24 LEU H . 30042 1 245 . 1 1 24 24 LEU HA H 1 3.880 0.01 . 1 . . . . A 24 LEU HA . 30042 1 246 . 1 1 24 24 LEU HB2 H 1 1.654 0.01 . 2 . . . . A 24 LEU HB2 . 30042 1 247 . 1 1 24 24 LEU HB3 H 1 1.585 0.01 . 2 . . . . A 24 LEU HB3 . 30042 1 248 . 1 1 24 24 LEU HG H 1 1.742 0.00 . 1 . . . . A 24 LEU HG . 30042 1 249 . 1 1 24 24 LEU HD11 H 1 0.965 0.00 . 1 . . . . A 24 LEU HD11 . 30042 1 250 . 1 1 24 24 LEU HD12 H 1 0.965 0.00 . 1 . . . . A 24 LEU HD12 . 30042 1 251 . 1 1 24 24 LEU HD13 H 1 0.965 0.00 . 1 . . . . A 24 LEU HD13 . 30042 1 252 . 1 1 24 24 LEU HD21 H 1 0.905 0.01 . 1 . . . . A 24 LEU HD21 . 30042 1 253 . 1 1 24 24 LEU HD22 H 1 0.905 0.01 . 1 . . . . A 24 LEU HD22 . 30042 1 254 . 1 1 24 24 LEU HD23 H 1 0.905 0.01 . 1 . . . . A 24 LEU HD23 . 30042 1 255 . 1 1 24 24 LEU CA C 13 57.701 0.13 . 1 . . . . A 24 LEU CA . 30042 1 256 . 1 1 24 24 LEU CB C 13 41.928 0.09 . 1 . . . . A 24 LEU CB . 30042 1 257 . 1 1 24 24 LEU CG C 13 27.361 0.06 . 1 . . . . A 24 LEU CG . 30042 1 258 . 1 1 24 24 LEU CD1 C 13 24.902 0.05 . 1 . . . . A 24 LEU CD1 . 30042 1 259 . 1 1 24 24 LEU CD2 C 13 24.628 0.10 . 1 . . . . A 24 LEU CD2 . 30042 1 260 . 1 1 24 24 LEU N N 15 123.055 0.07 . 1 . . . . A 24 LEU N . 30042 1 261 . 1 1 25 25 ASN H H 1 8.427 0.01 . 1 . . . . A 25 ASN H . 30042 1 262 . 1 1 25 25 ASN HA H 1 4.432 0.00 . 1 . . . . A 25 ASN HA . 30042 1 263 . 1 1 25 25 ASN HB2 H 1 2.870 0.01 . 2 . . . . A 25 ASN HB2 . 30042 1 264 . 1 1 25 25 ASN HB3 H 1 2.800 0.01 . 2 . . . . A 25 ASN HB3 . 30042 1 265 . 1 1 25 25 ASN HD21 H 1 6.790 0.00 . 2 . . . . A 25 ASN HD21 . 30042 1 266 . 1 1 25 25 ASN HD22 H 1 7.541 0.00 . 2 . . . . A 25 ASN HD22 . 30042 1 267 . 1 1 25 25 ASN CA C 13 55.105 0.04 . 1 . . . . A 25 ASN CA . 30042 1 268 . 1 1 25 25 ASN CB C 13 37.216 0.11 . 1 . . . . A 25 ASN CB . 30042 1 269 . 1 1 25 25 ASN N N 15 112.925 0.01 . 1 . . . . A 25 ASN N . 30042 1 270 . 1 1 25 25 ASN ND2 N 15 113.099 0.10 . 1 . . . . A 25 ASN ND2 . 30042 1 271 . 1 1 26 26 ILE H H 1 7.336 0.00 . 1 . . . . A 26 ILE H . 30042 1 272 . 1 1 26 26 ILE HA H 1 4.534 0.01 . 1 . . . . A 26 ILE HA . 30042 1 273 . 1 1 26 26 ILE HB H 1 2.234 0.01 . 1 . . . . A 26 ILE HB . 30042 1 274 . 1 1 26 26 ILE HG12 H 1 1.189 0.01 . 2 . . . . A 26 ILE HG12 . 30042 1 275 . 1 1 26 26 ILE HG13 H 1 1.347 0.01 . 2 . . . . A 26 ILE HG13 . 30042 1 276 . 1 1 26 26 ILE HG21 H 1 0.872 0.00 . 1 . . . . A 26 ILE HG21 . 30042 1 277 . 1 1 26 26 ILE HG22 H 1 0.872 0.00 . 1 . . . . A 26 ILE HG22 . 30042 1 278 . 1 1 26 26 ILE HG23 H 1 0.872 0.00 . 1 . . . . A 26 ILE HG23 . 30042 1 279 . 1 1 26 26 ILE HD11 H 1 0.872 0.00 . 1 . . . . A 26 ILE HD11 . 30042 1 280 . 1 1 26 26 ILE HD12 H 1 0.872 0.00 . 1 . . . . A 26 ILE HD12 . 30042 1 281 . 1 1 26 26 ILE HD13 H 1 0.872 0.00 . 1 . . . . A 26 ILE HD13 . 30042 1 282 . 1 1 26 26 ILE CA C 13 60.603 0.09 . 1 . . . . A 26 ILE CA . 30042 1 283 . 1 1 26 26 ILE CB C 13 39.294 0.07 . 1 . . . . A 26 ILE CB . 30042 1 284 . 1 1 26 26 ILE CG1 C 13 26.972 0.07 . 1 . . . . A 26 ILE CG1 . 30042 1 285 . 1 1 26 26 ILE CG2 C 13 17.878 0.05 . 1 . . . . A 26 ILE CG2 . 30042 1 286 . 1 1 26 26 ILE CD1 C 13 14.649 0.08 . 1 . . . . A 26 ILE CD1 . 30042 1 287 . 1 1 26 26 ILE N N 15 112.592 0.07 . 1 . . . . A 26 ILE N . 30042 1 288 . 1 1 27 27 ILE H H 1 7.328 0.00 . 1 . . . . A 27 ILE H . 30042 1 289 . 1 1 27 27 ILE HA H 1 3.564 0.01 . 1 . . . . A 27 ILE HA . 30042 1 290 . 1 1 27 27 ILE HB H 1 1.949 0.01 . 1 . . . . A 27 ILE HB . 30042 1 291 . 1 1 27 27 ILE HG12 H 1 2.102 0.01 . 2 . . . . A 27 ILE HG12 . 30042 1 292 . 1 1 27 27 ILE HG13 H 1 0.673 0.01 . 2 . . . . A 27 ILE HG13 . 30042 1 293 . 1 1 27 27 ILE HG21 H 1 0.826 0.00 . 1 . . . . A 27 ILE HG21 . 30042 1 294 . 1 1 27 27 ILE HG22 H 1 0.826 0.00 . 1 . . . . A 27 ILE HG22 . 30042 1 295 . 1 1 27 27 ILE HG23 H 1 0.826 0.00 . 1 . . . . A 27 ILE HG23 . 30042 1 296 . 1 1 27 27 ILE HD11 H 1 0.875 0.00 . 1 . . . . A 27 ILE HD11 . 30042 1 297 . 1 1 27 27 ILE HD12 H 1 0.875 0.00 . 1 . . . . A 27 ILE HD12 . 30042 1 298 . 1 1 27 27 ILE HD13 H 1 0.875 0.00 . 1 . . . . A 27 ILE HD13 . 30042 1 299 . 1 1 27 27 ILE CA C 13 64.290 0.08 . 1 . . . . A 27 ILE CA . 30042 1 300 . 1 1 27 27 ILE CB C 13 39.239 0.06 . 1 . . . . A 27 ILE CB . 30042 1 301 . 1 1 27 27 ILE CG1 C 13 28.269 0.05 . 1 . . . . A 27 ILE CG1 . 30042 1 302 . 1 1 27 27 ILE CG2 C 13 17.808 0.06 . 1 . . . . A 27 ILE CG2 . 30042 1 303 . 1 1 27 27 ILE CD1 C 13 14.277 0.05 . 1 . . . . A 27 ILE CD1 . 30042 1 304 . 1 1 27 27 ILE N N 15 123.258 0.01 . 1 . . . . A 27 ILE N . 30042 1 305 . 1 1 28 28 ASP H H 1 8.912 0.00 . 1 . . . . A 28 ASP H . 30042 1 306 . 1 1 28 28 ASP HA H 1 4.973 0.00 . 1 . . . . A 28 ASP HA . 30042 1 307 . 1 1 28 28 ASP HB2 H 1 2.637 0.01 . 2 . . . . A 28 ASP HB2 . 30042 1 308 . 1 1 28 28 ASP HB3 H 1 2.233 0.01 . 2 . . . . A 28 ASP HB3 . 30042 1 309 . 1 1 28 28 ASP CA C 13 55.354 0.06 . 1 . . . . A 28 ASP CA . 30042 1 310 . 1 1 28 28 ASP CB C 13 43.773 0.05 . 1 . . . . A 28 ASP CB . 30042 1 311 . 1 1 28 28 ASP N N 15 127.609 0.01 . 1 . . . . A 28 ASP N . 30042 1 312 . 1 1 29 29 ARG H H 1 7.872 0.00 . 1 . . . . A 29 ARG H . 30042 1 313 . 1 1 29 29 ARG HA H 1 5.181 0.01 . 1 . . . . A 29 ARG HA . 30042 1 314 . 1 1 29 29 ARG HB2 H 1 1.685 0.00 . 2 . . . . A 29 ARG HB2 . 30042 1 315 . 1 1 29 29 ARG HB3 H 1 1.698 0.00 . 2 . . . . A 29 ARG HB3 . 30042 1 316 . 1 1 29 29 ARG HG2 H 1 1.409 0.00 . 2 . . . . A 29 ARG HG2 . 30042 1 317 . 1 1 29 29 ARG HG3 H 1 1.360 0.00 . 2 . . . . A 29 ARG HG3 . 30042 1 318 . 1 1 29 29 ARG HD2 H 1 2.694 0.00 . 2 . . . . A 29 ARG HD2 . 30042 1 319 . 1 1 29 29 ARG HD3 H 1 2.570 0.00 . 2 . . . . A 29 ARG HD3 . 30042 1 320 . 1 1 29 29 ARG CA C 13 54.495 0.11 . 1 . . . . A 29 ARG CA . 30042 1 321 . 1 1 29 29 ARG CB C 13 34.578 0.10 . 1 . . . . A 29 ARG CB . 30042 1 322 . 1 1 29 29 ARG CG C 13 27.034 0.09 . 1 . . . . A 29 ARG CG . 30042 1 323 . 1 1 29 29 ARG CD C 13 43.140 0.03 . 1 . . . . A 29 ARG CD . 30042 1 324 . 1 1 29 29 ARG N N 15 115.612 0.00 . 1 . . . . A 29 ARG N . 30042 1 325 . 1 1 30 30 ILE H H 1 8.764 0.01 . 1 . . . . A 30 ILE H . 30042 1 326 . 1 1 30 30 ILE HA H 1 5.032 0.01 . 1 . . . . A 30 ILE HA . 30042 1 327 . 1 1 30 30 ILE HB H 1 1.714 0.00 . 1 . . . . A 30 ILE HB . 30042 1 328 . 1 1 30 30 ILE HG12 H 1 1.657 0.00 . 2 . . . . A 30 ILE HG12 . 30042 1 329 . 1 1 30 30 ILE HG13 H 1 0.949 0.01 . 2 . . . . A 30 ILE HG13 . 30042 1 330 . 1 1 30 30 ILE HG21 H 1 0.748 0.00 . 1 . . . . A 30 ILE HG21 . 30042 1 331 . 1 1 30 30 ILE HG22 H 1 0.748 0.00 . 1 . . . . A 30 ILE HG22 . 30042 1 332 . 1 1 30 30 ILE HG23 H 1 0.748 0.00 . 1 . . . . A 30 ILE HG23 . 30042 1 333 . 1 1 30 30 ILE HD11 H 1 0.811 0.01 . 1 . . . . A 30 ILE HD11 . 30042 1 334 . 1 1 30 30 ILE HD12 H 1 0.811 0.01 . 1 . . . . A 30 ILE HD12 . 30042 1 335 . 1 1 30 30 ILE HD13 H 1 0.811 0.01 . 1 . . . . A 30 ILE HD13 . 30042 1 336 . 1 1 30 30 ILE CA C 13 60.605 0.07 . 1 . . . . A 30 ILE CA . 30042 1 337 . 1 1 30 30 ILE CB C 13 40.965 0.12 . 1 . . . . A 30 ILE CB . 30042 1 338 . 1 1 30 30 ILE CG1 C 13 27.969 0.06 . 1 . . . . A 30 ILE CG1 . 30042 1 339 . 1 1 30 30 ILE CG2 C 13 17.162 0.09 . 1 . . . . A 30 ILE CG2 . 30042 1 340 . 1 1 30 30 ILE CD1 C 13 14.576 0.04 . 1 . . . . A 30 ILE CD1 . 30042 1 341 . 1 1 30 30 ILE N N 15 122.391 0.00 . 1 . . . . A 30 ILE N . 30042 1 342 . 1 1 31 31 GLN H H 1 9.553 0.00 . 1 . . . . A 31 GLN H . 30042 1 343 . 1 1 31 31 GLN HA H 1 5.177 0.01 . 1 . . . . A 31 GLN HA . 30042 1 344 . 1 1 31 31 GLN HB2 H 1 1.375 0.00 . 2 . . . . A 31 GLN HB2 . 30042 1 345 . 1 1 31 31 GLN HB3 H 1 1.330 0.00 . 2 . . . . A 31 GLN HB3 . 30042 1 346 . 1 1 31 31 GLN HG2 H 1 2.152 0.01 . 2 . . . . A 31 GLN HG2 . 30042 1 347 . 1 1 31 31 GLN HG3 H 1 2.102 0.00 . 2 . . . . A 31 GLN HG3 . 30042 1 348 . 1 1 31 31 GLN HE21 H 1 6.635 0.00 . 2 . . . . A 31 GLN HE21 . 30042 1 349 . 1 1 31 31 GLN HE22 H 1 7.457 0.00 . 2 . . . . A 31 GLN HE22 . 30042 1 350 . 1 1 31 31 GLN CA C 13 54.270 0.12 . 1 . . . . A 31 GLN CA . 30042 1 351 . 1 1 31 31 GLN CB C 13 32.499 0.04 . 1 . . . . A 31 GLN CB . 30042 1 352 . 1 1 31 31 GLN CG C 13 34.116 0.04 . 1 . . . . A 31 GLN CG . 30042 1 353 . 1 1 31 31 GLN N N 15 126.904 0.02 . 1 . . . . A 31 GLN N . 30042 1 354 . 1 1 31 31 GLN NE2 N 15 112.174 0.01 . 1 . . . . A 31 GLN NE2 . 30042 1 355 . 1 1 32 32 VAL H H 1 8.872 0.00 . 1 . . . . A 32 VAL H . 30042 1 356 . 1 1 32 32 VAL HA H 1 4.797 0.01 . 1 . . . . A 32 VAL HA . 30042 1 357 . 1 1 32 32 VAL HB H 1 2.033 0.01 . 1 . . . . A 32 VAL HB . 30042 1 358 . 1 1 32 32 VAL HG11 H 1 0.819 0.00 . 1 . . . . A 32 VAL HG11 . 30042 1 359 . 1 1 32 32 VAL HG12 H 1 0.819 0.00 . 1 . . . . A 32 VAL HG12 . 30042 1 360 . 1 1 32 32 VAL HG13 H 1 0.819 0.00 . 1 . . . . A 32 VAL HG13 . 30042 1 361 . 1 1 32 32 VAL HG21 H 1 0.911 0.01 . 1 . . . . A 32 VAL HG21 . 30042 1 362 . 1 1 32 32 VAL HG22 H 1 0.911 0.01 . 1 . . . . A 32 VAL HG22 . 30042 1 363 . 1 1 32 32 VAL HG23 H 1 0.911 0.01 . 1 . . . . A 32 VAL HG23 . 30042 1 364 . 1 1 32 32 VAL CA C 13 61.477 0.07 . 1 . . . . A 32 VAL CA . 30042 1 365 . 1 1 32 32 VAL CB C 13 33.333 0.09 . 1 . . . . A 32 VAL CB . 30042 1 366 . 1 1 32 32 VAL CG1 C 13 20.812 0.08 . 1 . . . . A 32 VAL CG1 . 30042 1 367 . 1 1 32 32 VAL CG2 C 13 21.254 0.11 . 1 . . . . A 32 VAL CG2 . 30042 1 368 . 1 1 32 32 VAL N N 15 128.473 0.00 . 1 . . . . A 32 VAL N . 30042 1 369 . 1 1 33 33 THR H H 1 9.217 0.00 . 1 . . . . A 33 THR H . 30042 1 370 . 1 1 33 33 THR HA H 1 5.190 0.01 . 1 . . . . A 33 THR HA . 30042 1 371 . 1 1 33 33 THR HB H 1 4.162 0.00 . 1 . . . . A 33 THR HB . 30042 1 372 . 1 1 33 33 THR HG21 H 1 1.385 0.00 . 1 . . . . A 33 THR HG21 . 30042 1 373 . 1 1 33 33 THR HG22 H 1 1.385 0.00 . 1 . . . . A 33 THR HG22 . 30042 1 374 . 1 1 33 33 THR HG23 H 1 1.385 0.00 . 1 . . . . A 33 THR HG23 . 30042 1 375 . 1 1 33 33 THR CA C 13 58.382 0.07 . 1 . . . . A 33 THR CA . 30042 1 376 . 1 1 33 33 THR CB C 13 70.507 0.07 . 1 . . . . A 33 THR CB . 30042 1 377 . 1 1 33 33 THR CG2 C 13 22.042 0.02 . 1 . . . . A 33 THR CG2 . 30042 1 378 . 1 1 33 33 THR N N 15 124.491 0.07 . 1 . . . . A 33 THR N . 30042 1 379 . 1 1 34 34 PRO HA H 1 4.817 0.00 . 1 . . . . A 34 PRO HA . 30042 1 380 . 1 1 34 34 PRO HB2 H 1 2.391 0.01 . 2 . . . . A 34 PRO HB2 . 30042 1 381 . 1 1 34 34 PRO HB3 H 1 2.001 0.00 . 2 . . . . A 34 PRO HB3 . 30042 1 382 . 1 1 34 34 PRO HG2 H 1 1.954 0.01 . 2 . . . . A 34 PRO HG2 . 30042 1 383 . 1 1 34 34 PRO HG3 H 1 1.947 0.00 . 2 . . . . A 34 PRO HG3 . 30042 1 384 . 1 1 34 34 PRO HD2 H 1 3.824 0.01 . 2 . . . . A 34 PRO HD2 . 30042 1 385 . 1 1 34 34 PRO HD3 H 1 3.818 0.01 . 2 . . . . A 34 PRO HD3 . 30042 1 386 . 1 1 34 34 PRO CA C 13 61.557 0.06 . 1 . . . . A 34 PRO CA . 30042 1 387 . 1 1 34 34 PRO CB C 13 30.709 0.07 . 1 . . . . A 34 PRO CB . 30042 1 388 . 1 1 34 34 PRO CG C 13 26.907 0.04 . 1 . . . . A 34 PRO CG . 30042 1 389 . 1 1 34 34 PRO CD C 13 51.208 0.10 . 1 . . . . A 34 PRO CD . 30042 1 390 . 1 1 35 35 PRO HA H 1 4.417 0.00 . 1 . . . . A 35 PRO HA . 30042 1 391 . 1 1 35 35 PRO HB2 H 1 1.754 0.00 . 2 . . . . A 35 PRO HB2 . 30042 1 392 . 1 1 35 35 PRO HB3 H 1 1.926 0.00 . 2 . . . . A 35 PRO HB3 . 30042 1 393 . 1 1 36 36 GLY H H 1 8.256 0.00 . 1 . . . . A 36 GLY H . 30042 1 394 . 1 1 36 36 GLY HA2 H 1 4.087 0.01 . 2 . . . . A 36 GLY HA2 . 30042 1 395 . 1 1 36 36 GLY HA3 H 1 4.171 0.01 . 2 . . . . A 36 GLY HA3 . 30042 1 396 . 1 1 36 36 GLY CA C 13 45.080 0.06 . 1 . . . . A 36 GLY CA . 30042 1 397 . 1 1 36 36 GLY N N 15 109.928 0.00 . 1 . . . . A 36 GLY N . 30042 1 398 . 1 1 37 37 ASN H H 1 8.875 0.00 . 1 . . . . A 37 ASN H . 30042 1 399 . 1 1 37 37 ASN HA H 1 4.441 0.01 . 1 . . . . A 37 ASN HA . 30042 1 400 . 1 1 37 37 ASN HB2 H 1 2.835 0.01 . 2 . . . . A 37 ASN HB2 . 30042 1 401 . 1 1 37 37 ASN HB3 H 1 2.689 0.01 . 2 . . . . A 37 ASN HB3 . 30042 1 402 . 1 1 37 37 ASN HD21 H 1 6.848 0.00 . 2 . . . . A 37 ASN HD21 . 30042 1 403 . 1 1 37 37 ASN HD22 H 1 7.550 0.00 . 2 . . . . A 37 ASN HD22 . 30042 1 404 . 1 1 37 37 ASN CA C 13 54.859 0.04 . 1 . . . . A 37 ASN CA . 30042 1 405 . 1 1 37 37 ASN CB C 13 38.363 0.06 . 1 . . . . A 37 ASN CB . 30042 1 406 . 1 1 37 37 ASN N N 15 119.268 0.00 . 1 . . . . A 37 ASN N . 30042 1 407 . 1 1 37 37 ASN ND2 N 15 113.031 0.11 . 1 . . . . A 37 ASN ND2 . 30042 1 408 . 1 1 38 38 GLY H H 1 8.183 0.00 . 1 . . . . A 38 GLY H . 30042 1 409 . 1 1 38 38 GLY HA2 H 1 3.786 0.00 . 2 . . . . A 38 GLY HA2 . 30042 1 410 . 1 1 38 38 GLY HA3 H 1 3.887 0.00 . 2 . . . . A 38 GLY HA3 . 30042 1 411 . 1 1 38 38 GLY CA C 13 45.445 0.08 . 1 . . . . A 38 GLY CA . 30042 1 412 . 1 1 38 38 GLY N N 15 106.147 0.07 . 1 . . . . A 38 GLY N . 30042 1 413 . 1 1 39 39 CYS H H 1 7.701 0.00 . 1 . . . . A 39 CYS H . 30042 1 414 . 1 1 39 39 CYS HA H 1 5.296 0.01 . 1 . . . . A 39 CYS HA . 30042 1 415 . 1 1 39 39 CYS HB2 H 1 3.282 0.00 . 2 . . . . A 39 CYS HB2 . 30042 1 416 . 1 1 39 39 CYS HB3 H 1 2.730 0.01 . 2 . . . . A 39 CYS HB3 . 30042 1 417 . 1 1 39 39 CYS CA C 13 52.428 0.06 . 1 . . . . A 39 CYS CA . 30042 1 418 . 1 1 39 39 CYS CB C 13 41.847 0.06 . 1 . . . . A 39 CYS CB . 30042 1 419 . 1 1 39 39 CYS N N 15 120.064 0.07 . 1 . . . . A 39 CYS N . 30042 1 420 . 1 1 40 40 PRO HA H 1 4.782 0.01 . 1 . . . . A 40 PRO HA . 30042 1 421 . 1 1 40 40 PRO HB2 H 1 2.234 0.01 . 2 . . . . A 40 PRO HB2 . 30042 1 422 . 1 1 40 40 PRO HB3 H 1 2.178 0.00 . 2 . . . . A 40 PRO HB3 . 30042 1 423 . 1 1 40 40 PRO HG2 H 1 2.073 0.01 . 2 . . . . A 40 PRO HG2 . 30042 1 424 . 1 1 40 40 PRO HG3 H 1 1.826 0.00 . 2 . . . . A 40 PRO HG3 . 30042 1 425 . 1 1 40 40 PRO HD2 H 1 3.791 0.00 . 2 . . . . A 40 PRO HD2 . 30042 1 426 . 1 1 40 40 PRO HD3 H 1 3.791 0.00 . 2 . . . . A 40 PRO HD3 . 30042 1 427 . 1 1 40 40 PRO CA C 13 63.934 0.04 . 1 . . . . A 40 PRO CA . 30042 1 428 . 1 1 40 40 PRO CB C 13 31.396 0.13 . 1 . . . . A 40 PRO CB . 30042 1 429 . 1 1 40 40 PRO CG C 13 26.769 0.07 . 1 . . . . A 40 PRO CG . 30042 1 430 . 1 1 40 40 PRO CD C 13 51.430 0.04 . 1 . . . . A 40 PRO CD . 30042 1 431 . 1 1 41 41 LYS H H 1 7.355 0.01 . 1 . . . . A 41 LYS H . 30042 1 432 . 1 1 41 41 LYS HA H 1 4.728 0.00 . 1 . . . . A 41 LYS HA . 30042 1 433 . 1 1 41 41 LYS HB2 H 1 1.830 0.01 . 2 . . . . A 41 LYS HB2 . 30042 1 434 . 1 1 41 41 LYS HB3 H 1 1.695 0.01 . 2 . . . . A 41 LYS HB3 . 30042 1 435 . 1 1 41 41 LYS HG2 H 1 1.344 0.01 . 2 . . . . A 41 LYS HG2 . 30042 1 436 . 1 1 41 41 LYS HG3 H 1 1.231 0.01 . 2 . . . . A 41 LYS HG3 . 30042 1 437 . 1 1 41 41 LYS HD2 H 1 1.652 0.00 . 2 . . . . A 41 LYS HD2 . 30042 1 438 . 1 1 41 41 LYS HD3 H 1 1.650 0.01 . 2 . . . . A 41 LYS HD3 . 30042 1 439 . 1 1 41 41 LYS HE2 H 1 2.998 0.01 . 2 . . . . A 41 LYS HE2 . 30042 1 440 . 1 1 41 41 LYS HE3 H 1 3.001 0.00 . 2 . . . . A 41 LYS HE3 . 30042 1 441 . 1 1 41 41 LYS CA C 13 54.303 0.07 . 1 . . . . A 41 LYS CA . 30042 1 442 . 1 1 41 41 LYS CB C 13 35.473 0.06 . 1 . . . . A 41 LYS CB . 30042 1 443 . 1 1 41 41 LYS CG C 13 24.442 0.07 . 1 . . . . A 41 LYS CG . 30042 1 444 . 1 1 41 41 LYS CD C 13 29.343 0.08 . 1 . . . . A 41 LYS CD . 30042 1 445 . 1 1 41 41 LYS CE C 13 42.351 0.06 . 1 . . . . A 41 LYS CE . 30042 1 446 . 1 1 41 41 LYS N N 15 118.861 0.00 . 1 . . . . A 41 LYS N . 30042 1 447 . 1 1 42 42 THR H H 1 8.366 0.00 . 1 . . . . A 42 THR H . 30042 1 448 . 1 1 42 42 THR HA H 1 4.458 0.01 . 1 . . . . A 42 THR HA . 30042 1 449 . 1 1 42 42 THR HB H 1 3.845 0.00 . 1 . . . . A 42 THR HB . 30042 1 450 . 1 1 42 42 THR HG21 H 1 1.024 0.00 . 1 . . . . A 42 THR HG21 . 30042 1 451 . 1 1 42 42 THR HG22 H 1 1.024 0.00 . 1 . . . . A 42 THR HG22 . 30042 1 452 . 1 1 42 42 THR HG23 H 1 1.024 0.00 . 1 . . . . A 42 THR HG23 . 30042 1 453 . 1 1 42 42 THR CA C 13 63.703 0.06 . 1 . . . . A 42 THR CA . 30042 1 454 . 1 1 42 42 THR CB C 13 69.107 0.04 . 1 . . . . A 42 THR CB . 30042 1 455 . 1 1 42 42 THR CG2 C 13 21.579 0.07 . 1 . . . . A 42 THR CG2 . 30042 1 456 . 1 1 42 42 THR N N 15 119.781 0.05 . 1 . . . . A 42 THR N . 30042 1 457 . 1 1 43 43 GLU H H 1 8.452 0.00 . 1 . . . . A 43 GLU H . 30042 1 458 . 1 1 43 43 GLU HA H 1 4.723 0.00 . 1 . . . . A 43 GLU HA . 30042 1 459 . 1 1 43 43 GLU HB2 H 1 2.048 0.01 . 2 . . . . A 43 GLU HB2 . 30042 1 460 . 1 1 43 43 GLU HB3 H 1 1.779 0.00 . 2 . . . . A 43 GLU HB3 . 30042 1 461 . 1 1 43 43 GLU HG2 H 1 2.386 0.01 . 2 . . . . A 43 GLU HG2 . 30042 1 462 . 1 1 43 43 GLU HG3 H 1 1.845 0.00 . 2 . . . . A 43 GLU HG3 . 30042 1 463 . 1 1 43 43 GLU CA C 13 55.733 0.05 . 1 . . . . A 43 GLU CA . 30042 1 464 . 1 1 43 43 GLU CB C 13 33.257 0.13 . 1 . . . . A 43 GLU CB . 30042 1 465 . 1 1 43 43 GLU CG C 13 39.022 0.05 . 1 . . . . A 43 GLU CG . 30042 1 466 . 1 1 43 43 GLU N N 15 124.448 0.00 . 1 . . . . A 43 GLU N . 30042 1 467 . 1 1 44 44 VAL H H 1 9.178 0.00 . 1 . . . . A 44 VAL H . 30042 1 468 . 1 1 44 44 VAL HA H 1 4.766 0.01 . 1 . . . . A 44 VAL HA . 30042 1 469 . 1 1 44 44 VAL HB H 1 1.977 0.01 . 1 . . . . A 44 VAL HB . 30042 1 470 . 1 1 44 44 VAL HG11 H 1 0.705 0.00 . 1 . . . . A 44 VAL HG11 . 30042 1 471 . 1 1 44 44 VAL HG12 H 1 0.705 0.00 . 1 . . . . A 44 VAL HG12 . 30042 1 472 . 1 1 44 44 VAL HG13 H 1 0.705 0.00 . 1 . . . . A 44 VAL HG13 . 30042 1 473 . 1 1 44 44 VAL HG21 H 1 0.828 0.01 . 1 . . . . A 44 VAL HG21 . 30042 1 474 . 1 1 44 44 VAL HG22 H 1 0.828 0.01 . 1 . . . . A 44 VAL HG22 . 30042 1 475 . 1 1 44 44 VAL HG23 H 1 0.828 0.01 . 1 . . . . A 44 VAL HG23 . 30042 1 476 . 1 1 44 44 VAL CA C 13 61.864 0.07 . 1 . . . . A 44 VAL CA . 30042 1 477 . 1 1 44 44 VAL CB C 13 32.912 0.07 . 1 . . . . A 44 VAL CB . 30042 1 478 . 1 1 44 44 VAL CG1 C 13 21.570 0.07 . 1 . . . . A 44 VAL CG1 . 30042 1 479 . 1 1 44 44 VAL CG2 C 13 21.390 0.09 . 1 . . . . A 44 VAL CG2 . 30042 1 480 . 1 1 44 44 VAL N N 15 124.407 0.01 . 1 . . . . A 44 VAL N . 30042 1 481 . 1 1 45 45 VAL H H 1 8.687 0.00 . 1 . . . . A 45 VAL H . 30042 1 482 . 1 1 45 45 VAL HA H 1 4.688 0.00 . 1 . . . . A 45 VAL HA . 30042 1 483 . 1 1 45 45 VAL HB H 1 1.784 0.01 . 1 . . . . A 45 VAL HB . 30042 1 484 . 1 1 45 45 VAL HG11 H 1 0.284 0.00 . 1 . . . . A 45 VAL HG11 . 30042 1 485 . 1 1 45 45 VAL HG12 H 1 0.284 0.00 . 1 . . . . A 45 VAL HG12 . 30042 1 486 . 1 1 45 45 VAL HG13 H 1 0.284 0.00 . 1 . . . . A 45 VAL HG13 . 30042 1 487 . 1 1 45 45 VAL HG21 H 1 0.802 0.01 . 1 . . . . A 45 VAL HG21 . 30042 1 488 . 1 1 45 45 VAL HG22 H 1 0.802 0.01 . 1 . . . . A 45 VAL HG22 . 30042 1 489 . 1 1 45 45 VAL HG23 H 1 0.802 0.01 . 1 . . . . A 45 VAL HG23 . 30042 1 490 . 1 1 45 45 VAL CA C 13 60.536 0.05 . 1 . . . . A 45 VAL CA . 30042 1 491 . 1 1 45 45 VAL CB C 13 34.873 0.10 . 1 . . . . A 45 VAL CB . 30042 1 492 . 1 1 45 45 VAL CG1 C 13 22.104 0.04 . 1 . . . . A 45 VAL CG1 . 30042 1 493 . 1 1 45 45 VAL CG2 C 13 21.641 0.12 . 1 . . . . A 45 VAL CG2 . 30042 1 494 . 1 1 45 45 VAL N N 15 126.796 0.00 . 1 . . . . A 45 VAL N . 30042 1 495 . 1 1 46 46 ILE H H 1 9.154 0.00 . 1 . . . . A 46 ILE H . 30042 1 496 . 1 1 46 46 ILE HA H 1 4.982 0.01 . 1 . . . . A 46 ILE HA . 30042 1 497 . 1 1 46 46 ILE HB H 1 1.834 0.01 . 1 . . . . A 46 ILE HB . 30042 1 498 . 1 1 46 46 ILE HG12 H 1 1.656 0.01 . 2 . . . . A 46 ILE HG12 . 30042 1 499 . 1 1 46 46 ILE HG13 H 1 1.197 0.01 . 2 . . . . A 46 ILE HG13 . 30042 1 500 . 1 1 46 46 ILE HG21 H 1 0.887 0.01 . 1 . . . . A 46 ILE HG21 . 30042 1 501 . 1 1 46 46 ILE HG22 H 1 0.887 0.01 . 1 . . . . A 46 ILE HG22 . 30042 1 502 . 1 1 46 46 ILE HG23 H 1 0.887 0.01 . 1 . . . . A 46 ILE HG23 . 30042 1 503 . 1 1 46 46 ILE HD11 H 1 0.919 0.01 . 1 . . . . A 46 ILE HD11 . 30042 1 504 . 1 1 46 46 ILE HD12 H 1 0.919 0.01 . 1 . . . . A 46 ILE HD12 . 30042 1 505 . 1 1 46 46 ILE HD13 H 1 0.919 0.01 . 1 . . . . A 46 ILE HD13 . 30042 1 506 . 1 1 46 46 ILE CA C 13 59.736 0.05 . 1 . . . . A 46 ILE CA . 30042 1 507 . 1 1 46 46 ILE CB C 13 41.013 0.04 . 1 . . . . A 46 ILE CB . 30042 1 508 . 1 1 46 46 ILE CG1 C 13 28.797 0.04 . 1 . . . . A 46 ILE CG1 . 30042 1 509 . 1 1 46 46 ILE CG2 C 13 18.582 0.05 . 1 . . . . A 46 ILE CG2 . 30042 1 510 . 1 1 46 46 ILE CD1 C 13 14.615 0.08 . 1 . . . . A 46 ILE CD1 . 30042 1 511 . 1 1 46 46 ILE N N 15 125.403 0.00 . 1 . . . . A 46 ILE N . 30042 1 512 . 1 1 47 47 TRP H H 1 9.118 0.01 . 1 . . . . A 47 TRP H . 30042 1 513 . 1 1 47 47 TRP HA H 1 5.370 0.00 . 1 . . . . A 47 TRP HA . 30042 1 514 . 1 1 47 47 TRP HB2 H 1 3.370 0.01 . 2 . . . . A 47 TRP HB2 . 30042 1 515 . 1 1 47 47 TRP HB3 H 1 3.132 0.01 . 2 . . . . A 47 TRP HB3 . 30042 1 516 . 1 1 47 47 TRP HD1 H 1 6.935 0.01 . 1 . . . . A 47 TRP HD1 . 30042 1 517 . 1 1 47 47 TRP HE1 H 1 9.693 0.00 . 1 . . . . A 47 TRP HE1 . 30042 1 518 . 1 1 47 47 TRP HE3 H 1 7.430 0.00 . 1 . . . . A 47 TRP HE3 . 30042 1 519 . 1 1 47 47 TRP HZ2 H 1 7.324 0.00 . 1 . . . . A 47 TRP HZ2 . 30042 1 520 . 1 1 47 47 TRP HZ3 H 1 6.895 0.00 . 1 . . . . A 47 TRP HZ3 . 30042 1 521 . 1 1 47 47 TRP HH2 H 1 7.014 0.00 . 1 . . . . A 47 TRP HH2 . 30042 1 522 . 1 1 47 47 TRP CA C 13 56.300 0.04 . 1 . . . . A 47 TRP CA . 30042 1 523 . 1 1 47 47 TRP CB C 13 30.975 0.07 . 1 . . . . A 47 TRP CB . 30042 1 524 . 1 1 47 47 TRP CD1 C 13 125.735 0.00 . 1 . . . . A 47 TRP CD1 . 30042 1 525 . 1 1 47 47 TRP CE3 C 13 121.091 0.00 . 1 . . . . A 47 TRP CE3 . 30042 1 526 . 1 1 47 47 TRP CZ2 C 13 114.136 0.00 . 1 . . . . A 47 TRP CZ2 . 30042 1 527 . 1 1 47 47 TRP CZ3 C 13 121.402 0.00 . 1 . . . . A 47 TRP CZ3 . 30042 1 528 . 1 1 47 47 TRP CH2 C 13 124.064 0.00 . 1 . . . . A 47 TRP CH2 . 30042 1 529 . 1 1 47 47 TRP N N 15 127.204 0.07 . 1 . . . . A 47 TRP N . 30042 1 530 . 1 1 47 47 TRP NE1 N 15 128.516 0.03 . 1 . . . . A 47 TRP NE1 . 30042 1 531 . 1 1 48 48 THR H H 1 9.257 0.00 . 1 . . . . A 48 THR H . 30042 1 532 . 1 1 48 48 THR HA H 1 5.301 0.01 . 1 . . . . A 48 THR HA . 30042 1 533 . 1 1 48 48 THR HB H 1 4.808 0.00 . 1 . . . . A 48 THR HB . 30042 1 534 . 1 1 48 48 THR HG1 H 1 5.893 0.00 . 1 . . . . A 48 THR HG1 . 30042 1 535 . 1 1 48 48 THR HG21 H 1 1.145 0.01 . 1 . . . . A 48 THR HG21 . 30042 1 536 . 1 1 48 48 THR HG22 H 1 1.145 0.01 . 1 . . . . A 48 THR HG22 . 30042 1 537 . 1 1 48 48 THR HG23 H 1 1.145 0.01 . 1 . . . . A 48 THR HG23 . 30042 1 538 . 1 1 48 48 THR CA C 13 59.941 0.06 . 1 . . . . A 48 THR CA . 30042 1 539 . 1 1 48 48 THR CB C 13 72.033 0.08 . 1 . . . . A 48 THR CB . 30042 1 540 . 1 1 48 48 THR CG2 C 13 21.673 0.04 . 1 . . . . A 48 THR CG2 . 30042 1 541 . 1 1 48 48 THR N N 15 114.907 0.00 . 1 . . . . A 48 THR N . 30042 1 542 . 1 1 49 49 LYS H H 1 9.002 0.01 . 1 . . . . A 49 LYS H . 30042 1 543 . 1 1 49 49 LYS HA H 1 4.204 0.01 . 1 . . . . A 49 LYS HA . 30042 1 544 . 1 1 49 49 LYS HB2 H 1 2.060 0.01 . 2 . . . . A 49 LYS HB2 . 30042 1 545 . 1 1 49 49 LYS HB3 H 1 1.756 0.01 . 2 . . . . A 49 LYS HB3 . 30042 1 546 . 1 1 49 49 LYS HG2 H 1 1.462 0.00 . 2 . . . . A 49 LYS HG2 . 30042 1 547 . 1 1 49 49 LYS HG3 H 1 1.287 0.01 . 2 . . . . A 49 LYS HG3 . 30042 1 548 . 1 1 49 49 LYS HD2 H 1 1.721 0.01 . 2 . . . . A 49 LYS HD2 . 30042 1 549 . 1 1 49 49 LYS HD3 H 1 1.725 0.00 . 2 . . . . A 49 LYS HD3 . 30042 1 550 . 1 1 49 49 LYS HE2 H 1 2.934 0.00 . 2 . . . . A 49 LYS HE2 . 30042 1 551 . 1 1 49 49 LYS HE3 H 1 2.934 0.00 . 2 . . . . A 49 LYS HE3 . 30042 1 552 . 1 1 49 49 LYS CA C 13 58.825 0.07 . 1 . . . . A 49 LYS CA . 30042 1 553 . 1 1 49 49 LYS CB C 13 32.591 0.08 . 1 . . . . A 49 LYS CB . 30042 1 554 . 1 1 49 49 LYS CG C 13 26.580 0.03 . 1 . . . . A 49 LYS CG . 30042 1 555 . 1 1 49 49 LYS CD C 13 29.342 0.12 . 1 . . . . A 49 LYS CD . 30042 1 556 . 1 1 49 49 LYS CE C 13 42.316 0.07 . 1 . . . . A 49 LYS CE . 30042 1 557 . 1 1 49 49 LYS N N 15 121.749 0.02 . 1 . . . . A 49 LYS N . 30042 1 558 . 1 1 50 50 MET H H 1 7.599 0.00 . 1 . . . . A 50 MET H . 30042 1 559 . 1 1 50 50 MET HA H 1 4.683 0.00 . 1 . . . . A 50 MET HA . 30042 1 560 . 1 1 50 50 MET HB2 H 1 2.392 0.01 . 2 . . . . A 50 MET HB2 . 30042 1 561 . 1 1 50 50 MET HB3 H 1 1.832 0.01 . 2 . . . . A 50 MET HB3 . 30042 1 562 . 1 1 50 50 MET HG2 H 1 2.684 0.00 . 2 . . . . A 50 MET HG2 . 30042 1 563 . 1 1 50 50 MET HG3 H 1 2.585 0.00 . 2 . . . . A 50 MET HG3 . 30042 1 564 . 1 1 50 50 MET HE1 H 1 2.109 0.00 . 5 . . . . A 50 MET HE1 . 30042 1 565 . 1 1 50 50 MET HE2 H 1 2.109 0.00 . 5 . . . . A 50 MET HE2 . 30042 1 566 . 1 1 50 50 MET HE3 H 1 2.109 0.00 . 5 . . . . A 50 MET HE3 . 30042 1 567 . 1 1 50 50 MET CA C 13 55.107 0.03 . 1 . . . . A 50 MET CA . 30042 1 568 . 1 1 50 50 MET CB C 13 30.998 0.08 . 1 . . . . A 50 MET CB . 30042 1 569 . 1 1 50 50 MET CG C 13 33.354 0.06 . 1 . . . . A 50 MET CG . 30042 1 570 . 1 1 50 50 MET CE C 13 17.481 0.06 . 5 . . . . A 50 MET CE . 30042 1 571 . 1 1 50 50 MET N N 15 116.314 0.00 . 1 . . . . A 50 MET N . 30042 1 572 . 1 1 51 51 LYS H H 1 8.065 0.00 . 1 . . . . A 51 LYS H . 30042 1 573 . 1 1 51 51 LYS HA H 1 3.852 0.01 . 1 . . . . A 51 LYS HA . 30042 1 574 . 1 1 51 51 LYS HB2 H 1 2.220 0.00 . 2 . . . . A 51 LYS HB2 . 30042 1 575 . 1 1 51 51 LYS HB3 H 1 2.068 0.00 . 2 . . . . A 51 LYS HB3 . 30042 1 576 . 1 1 51 51 LYS HG2 H 1 1.378 0.01 . 2 . . . . A 51 LYS HG2 . 30042 1 577 . 1 1 51 51 LYS HG3 H 1 1.382 0.00 . 2 . . . . A 51 LYS HG3 . 30042 1 578 . 1 1 51 51 LYS HD2 H 1 1.740 0.00 . 2 . . . . A 51 LYS HD2 . 30042 1 579 . 1 1 51 51 LYS HD3 H 1 1.738 0.00 . 2 . . . . A 51 LYS HD3 . 30042 1 580 . 1 1 51 51 LYS HE2 H 1 3.015 0.00 . 2 . . . . A 51 LYS HE2 . 30042 1 581 . 1 1 51 51 LYS HE3 H 1 3.014 0.00 . 2 . . . . A 51 LYS HE3 . 30042 1 582 . 1 1 51 51 LYS CA C 13 57.543 0.05 . 1 . . . . A 51 LYS CA . 30042 1 583 . 1 1 51 51 LYS CB C 13 28.477 0.05 . 1 . . . . A 51 LYS CB . 30042 1 584 . 1 1 51 51 LYS CG C 13 25.392 0.05 . 1 . . . . A 51 LYS CG . 30042 1 585 . 1 1 51 51 LYS CD C 13 29.021 0.09 . 1 . . . . A 51 LYS CD . 30042 1 586 . 1 1 51 51 LYS CE C 13 42.182 0.08 . 1 . . . . A 51 LYS CE . 30042 1 587 . 1 1 51 51 LYS N N 15 113.609 0.01 . 1 . . . . A 51 LYS N . 30042 1 588 . 1 1 52 52 LYS H H 1 7.139 0.01 . 1 . . . . A 52 LYS H . 30042 1 589 . 1 1 52 52 LYS HA H 1 4.563 0.01 . 1 . . . . A 52 LYS HA . 30042 1 590 . 1 1 52 52 LYS HB2 H 1 1.705 0.01 . 2 . . . . A 52 LYS HB2 . 30042 1 591 . 1 1 52 52 LYS HB3 H 1 1.626 0.01 . 2 . . . . A 52 LYS HB3 . 30042 1 592 . 1 1 52 52 LYS HG2 H 1 1.373 0.00 . 2 . . . . A 52 LYS HG2 . 30042 1 593 . 1 1 52 52 LYS HG3 H 1 1.214 0.01 . 2 . . . . A 52 LYS HG3 . 30042 1 594 . 1 1 52 52 LYS HD2 H 1 1.642 0.02 . 2 . . . . A 52 LYS HD2 . 30042 1 595 . 1 1 52 52 LYS HD3 H 1 1.665 0.02 . 2 . . . . A 52 LYS HD3 . 30042 1 596 . 1 1 52 52 LYS HE2 H 1 2.943 0.01 . 2 . . . . A 52 LYS HE2 . 30042 1 597 . 1 1 52 52 LYS HE3 H 1 2.943 0.01 . 2 . . . . A 52 LYS HE3 . 30042 1 598 . 1 1 52 52 LYS CA C 13 54.724 0.15 . 1 . . . . A 52 LYS CA . 30042 1 599 . 1 1 52 52 LYS CB C 13 33.764 0.10 . 1 . . . . A 52 LYS CB . 30042 1 600 . 1 1 52 52 LYS CG C 13 25.142 0.09 . 1 . . . . A 52 LYS CG . 30042 1 601 . 1 1 52 52 LYS CD C 13 28.645 0.10 . 1 . . . . A 52 LYS CD . 30042 1 602 . 1 1 52 52 LYS CE C 13 42.095 0.08 . 1 . . . . A 52 LYS CE . 30042 1 603 . 1 1 52 52 LYS N N 15 117.609 0.00 . 1 . . . . A 52 LYS N . 30042 1 604 . 1 1 53 53 VAL H H 1 8.025 0.01 . 1 . . . . A 53 VAL H . 30042 1 605 . 1 1 53 53 VAL HA H 1 4.560 0.01 . 1 . . . . A 53 VAL HA . 30042 1 606 . 1 1 53 53 VAL HB H 1 1.420 0.01 . 1 . . . . A 53 VAL HB . 30042 1 607 . 1 1 53 53 VAL HG11 H 1 0.176 0.01 . 1 . . . . A 53 VAL HG11 . 30042 1 608 . 1 1 53 53 VAL HG12 H 1 0.176 0.01 . 1 . . . . A 53 VAL HG12 . 30042 1 609 . 1 1 53 53 VAL HG13 H 1 0.176 0.01 . 1 . . . . A 53 VAL HG13 . 30042 1 610 . 1 1 53 53 VAL HG21 H 1 0.179 0.01 . 1 . . . . A 53 VAL HG21 . 30042 1 611 . 1 1 53 53 VAL HG22 H 1 0.179 0.01 . 1 . . . . A 53 VAL HG22 . 30042 1 612 . 1 1 53 53 VAL HG23 H 1 0.179 0.01 . 1 . . . . A 53 VAL HG23 . 30042 1 613 . 1 1 53 53 VAL CA C 13 61.087 0.05 . 1 . . . . A 53 VAL CA . 30042 1 614 . 1 1 53 53 VAL CB C 13 32.762 0.09 . 1 . . . . A 53 VAL CB . 30042 1 615 . 1 1 53 53 VAL CG1 C 13 20.641 0.07 . 1 . . . . A 53 VAL CG1 . 30042 1 616 . 1 1 53 53 VAL CG2 C 13 20.674 0.02 . 1 . . . . A 53 VAL CG2 . 30042 1 617 . 1 1 53 53 VAL N N 15 122.844 0.00 . 1 . . . . A 53 VAL N . 30042 1 618 . 1 1 54 54 ILE H H 1 9.120 0.00 . 1 . . . . A 54 ILE H . 30042 1 619 . 1 1 54 54 ILE HA H 1 4.333 0.01 . 1 . . . . A 54 ILE HA . 30042 1 620 . 1 1 54 54 ILE HB H 1 1.632 0.01 . 1 . . . . A 54 ILE HB . 30042 1 621 . 1 1 54 54 ILE HG12 H 1 1.334 0.01 . 2 . . . . A 54 ILE HG12 . 30042 1 622 . 1 1 54 54 ILE HG13 H 1 0.927 0.01 . 2 . . . . A 54 ILE HG13 . 30042 1 623 . 1 1 54 54 ILE HG21 H 1 0.802 0.01 . 1 . . . . A 54 ILE HG21 . 30042 1 624 . 1 1 54 54 ILE HG22 H 1 0.802 0.01 . 1 . . . . A 54 ILE HG22 . 30042 1 625 . 1 1 54 54 ILE HG23 H 1 0.802 0.01 . 1 . . . . A 54 ILE HG23 . 30042 1 626 . 1 1 54 54 ILE HD11 H 1 0.692 0.01 . 1 . . . . A 54 ILE HD11 . 30042 1 627 . 1 1 54 54 ILE HD12 H 1 0.692 0.01 . 1 . . . . A 54 ILE HD12 . 30042 1 628 . 1 1 54 54 ILE HD13 H 1 0.692 0.01 . 1 . . . . A 54 ILE HD13 . 30042 1 629 . 1 1 54 54 ILE CA C 13 59.968 0.06 . 1 . . . . A 54 ILE CA . 30042 1 630 . 1 1 54 54 ILE CB C 13 42.232 0.07 . 1 . . . . A 54 ILE CB . 30042 1 631 . 1 1 54 54 ILE CG1 C 13 26.853 0.08 . 1 . . . . A 54 ILE CG1 . 30042 1 632 . 1 1 54 54 ILE CG2 C 13 18.006 0.06 . 1 . . . . A 54 ILE CG2 . 30042 1 633 . 1 1 54 54 ILE CD1 C 13 14.059 0.07 . 1 . . . . A 54 ILE CD1 . 30042 1 634 . 1 1 54 54 ILE N N 15 126.546 0.00 . 1 . . . . A 54 ILE N . 30042 1 635 . 1 1 55 55 CYS H H 1 8.641 0.00 . 1 . . . . A 55 CYS H . 30042 1 636 . 1 1 55 55 CYS HA H 1 5.466 0.01 . 1 . . . . A 55 CYS HA . 30042 1 637 . 1 1 55 55 CYS HB2 H 1 3.885 0.01 . 2 . . . . A 55 CYS HB2 . 30042 1 638 . 1 1 55 55 CYS HB3 H 1 3.052 0.01 . 2 . . . . A 55 CYS HB3 . 30042 1 639 . 1 1 55 55 CYS CA C 13 57.382 0.04 . 1 . . . . A 55 CYS CA . 30042 1 640 . 1 1 55 55 CYS CB C 13 47.876 0.09 . 1 . . . . A 55 CYS CB . 30042 1 641 . 1 1 55 55 CYS N N 15 124.043 0.08 . 1 . . . . A 55 CYS N . 30042 1 642 . 1 1 56 56 VAL H H 1 8.288 0.00 . 1 . . . . A 56 VAL H . 30042 1 643 . 1 1 56 56 VAL HA H 1 4.937 0.01 . 1 . . . . A 56 VAL HA . 30042 1 644 . 1 1 56 56 VAL HB H 1 1.941 0.01 . 1 . . . . A 56 VAL HB . 30042 1 645 . 1 1 56 56 VAL HG11 H 1 0.998 0.01 . 1 . . . . A 56 VAL HG11 . 30042 1 646 . 1 1 56 56 VAL HG12 H 1 0.998 0.01 . 1 . . . . A 56 VAL HG12 . 30042 1 647 . 1 1 56 56 VAL HG13 H 1 0.998 0.01 . 1 . . . . A 56 VAL HG13 . 30042 1 648 . 1 1 56 56 VAL HG21 H 1 0.847 0.01 . 1 . . . . A 56 VAL HG21 . 30042 1 649 . 1 1 56 56 VAL HG22 H 1 0.847 0.01 . 1 . . . . A 56 VAL HG22 . 30042 1 650 . 1 1 56 56 VAL HG23 H 1 0.847 0.01 . 1 . . . . A 56 VAL HG23 . 30042 1 651 . 1 1 56 56 VAL CA C 13 59.683 0.07 . 1 . . . . A 56 VAL CA . 30042 1 652 . 1 1 56 56 VAL CB C 13 35.091 0.07 . 1 . . . . A 56 VAL CB . 30042 1 653 . 1 1 56 56 VAL CG1 C 13 22.600 0.07 . 1 . . . . A 56 VAL CG1 . 30042 1 654 . 1 1 56 56 VAL CG2 C 13 21.189 0.12 . 1 . . . . A 56 VAL CG2 . 30042 1 655 . 1 1 56 56 VAL N N 15 118.393 0.00 . 1 . . . . A 56 VAL N . 30042 1 656 . 1 1 57 57 ASN H H 1 8.386 0.01 . 1 . . . . A 57 ASN H . 30042 1 657 . 1 1 57 57 ASN HA H 1 4.511 0.01 . 1 . . . . A 57 ASN HA . 30042 1 658 . 1 1 57 57 ASN HB2 H 1 2.940 0.01 . 2 . . . . A 57 ASN HB2 . 30042 1 659 . 1 1 57 57 ASN HB3 H 1 2.725 0.01 . 2 . . . . A 57 ASN HB3 . 30042 1 660 . 1 1 57 57 ASN HD21 H 1 7.036 0.00 . 2 . . . . A 57 ASN HD21 . 30042 1 661 . 1 1 57 57 ASN HD22 H 1 7.652 0.00 . 2 . . . . A 57 ASN HD22 . 30042 1 662 . 1 1 57 57 ASN CA C 13 50.858 0.05 . 1 . . . . A 57 ASN CA . 30042 1 663 . 1 1 57 57 ASN CB C 13 39.457 0.09 . 1 . . . . A 57 ASN CB . 30042 1 664 . 1 1 57 57 ASN N N 15 124.133 0.07 . 1 . . . . A 57 ASN N . 30042 1 665 . 1 1 57 57 ASN ND2 N 15 112.552 0.01 . 1 . . . . A 57 ASN ND2 . 30042 1 666 . 1 1 58 58 PRO HA H 1 3.984 0.01 . 1 . . . . A 58 PRO HA . 30042 1 667 . 1 1 58 58 PRO HB2 H 1 2.058 0.00 . 2 . . . . A 58 PRO HB2 . 30042 1 668 . 1 1 58 58 PRO HB3 H 1 1.853 0.00 . 2 . . . . A 58 PRO HB3 . 30042 1 669 . 1 1 58 58 PRO HG2 H 1 1.990 0.00 . 2 . . . . A 58 PRO HG2 . 30042 1 670 . 1 1 58 58 PRO HG3 H 1 1.853 0.00 . 2 . . . . A 58 PRO HG3 . 30042 1 671 . 1 1 58 58 PRO HD2 H 1 4.240 0.01 . 2 . . . . A 58 PRO HD2 . 30042 1 672 . 1 1 58 58 PRO HD3 H 1 3.792 0.01 . 2 . . . . A 58 PRO HD3 . 30042 1 673 . 1 1 58 58 PRO CA C 13 64.185 0.05 . 1 . . . . A 58 PRO CA . 30042 1 674 . 1 1 58 58 PRO CB C 13 32.452 0.06 . 1 . . . . A 58 PRO CB . 30042 1 675 . 1 1 58 58 PRO CG C 13 27.722 0.07 . 1 . . . . A 58 PRO CG . 30042 1 676 . 1 1 58 58 PRO CD C 13 51.357 0.07 . 1 . . . . A 58 PRO CD . 30042 1 677 . 1 1 59 59 ARG H H 1 7.698 0.00 . 1 . . . . A 59 ARG H . 30042 1 678 . 1 1 59 59 ARG HA H 1 4.148 0.00 . 1 . . . . A 59 ARG HA . 30042 1 679 . 1 1 59 59 ARG HB2 H 1 1.992 0.01 . 2 . . . . A 59 ARG HB2 . 30042 1 680 . 1 1 59 59 ARG HB3 H 1 1.568 0.01 . 2 . . . . A 59 ARG HB3 . 30042 1 681 . 1 1 59 59 ARG HG2 H 1 1.612 0.00 . 2 . . . . A 59 ARG HG2 . 30042 1 682 . 1 1 59 59 ARG HG3 H 1 1.532 0.01 . 2 . . . . A 59 ARG HG3 . 30042 1 683 . 1 1 59 59 ARG HD2 H 1 3.175 0.00 . 2 . . . . A 59 ARG HD2 . 30042 1 684 . 1 1 59 59 ARG HD3 H 1 3.172 0.00 . 2 . . . . A 59 ARG HD3 . 30042 1 685 . 1 1 59 59 ARG CA C 13 54.757 0.04 . 1 . . . . A 59 ARG CA . 30042 1 686 . 1 1 59 59 ARG CB C 13 29.903 0.03 . 1 . . . . A 59 ARG CB . 30042 1 687 . 1 1 59 59 ARG CG C 13 27.589 0.07 . 1 . . . . A 59 ARG CG . 30042 1 688 . 1 1 59 59 ARG CD C 13 43.117 0.02 . 1 . . . . A 59 ARG CD . 30042 1 689 . 1 1 59 59 ARG N N 15 112.812 0.00 . 1 . . . . A 59 ARG N . 30042 1 690 . 1 1 60 60 ALA H H 1 7.553 0.00 . 1 . . . . A 60 ALA H . 30042 1 691 . 1 1 60 60 ALA HA H 1 4.155 0.01 . 1 . . . . A 60 ALA HA . 30042 1 692 . 1 1 60 60 ALA HB1 H 1 1.137 0.01 . 1 . . . . A 60 ALA HB1 . 30042 1 693 . 1 1 60 60 ALA HB2 H 1 1.137 0.01 . 1 . . . . A 60 ALA HB2 . 30042 1 694 . 1 1 60 60 ALA HB3 H 1 1.137 0.01 . 1 . . . . A 60 ALA HB3 . 30042 1 695 . 1 1 60 60 ALA CA C 13 52.748 0.05 . 1 . . . . A 60 ALA CA . 30042 1 696 . 1 1 60 60 ALA CB C 13 18.084 0.06 . 1 . . . . A 60 ALA CB . 30042 1 697 . 1 1 60 60 ALA N N 15 124.288 0.00 . 1 . . . . A 60 ALA N . 30042 1 698 . 1 1 61 61 LYS H H 1 8.949 0.00 . 1 . . . . A 61 LYS H . 30042 1 699 . 1 1 61 61 LYS HA H 1 3.889 0.01 . 1 . . . . A 61 LYS HA . 30042 1 700 . 1 1 61 61 LYS HB2 H 1 2.033 0.01 . 2 . . . . A 61 LYS HB2 . 30042 1 701 . 1 1 61 61 LYS HB3 H 1 1.940 0.01 . 2 . . . . A 61 LYS HB3 . 30042 1 702 . 1 1 61 61 LYS HG2 H 1 1.644 0.00 . 2 . . . . A 61 LYS HG2 . 30042 1 703 . 1 1 61 61 LYS HG3 H 1 1.521 0.00 . 2 . . . . A 61 LYS HG3 . 30042 1 704 . 1 1 61 61 LYS HD2 H 1 1.752 0.01 . 2 . . . . A 61 LYS HD2 . 30042 1 705 . 1 1 61 61 LYS HD3 H 1 1.748 0.01 . 2 . . . . A 61 LYS HD3 . 30042 1 706 . 1 1 61 61 LYS HE2 H 1 3.041 0.01 . 2 . . . . A 61 LYS HE2 . 30042 1 707 . 1 1 61 61 LYS HE3 H 1 3.053 0.00 . 2 . . . . A 61 LYS HE3 . 30042 1 708 . 1 1 61 61 LYS CA C 13 60.141 0.05 . 1 . . . . A 61 LYS CA . 30042 1 709 . 1 1 61 61 LYS CB C 13 31.815 0.05 . 1 . . . . A 61 LYS CB . 30042 1 710 . 1 1 61 61 LYS CG C 13 25.480 0.05 . 1 . . . . A 61 LYS CG . 30042 1 711 . 1 1 61 61 LYS CD C 13 28.968 0.06 . 1 . . . . A 61 LYS CD . 30042 1 712 . 1 1 61 61 LYS CE C 13 41.994 0.03 . 1 . . . . A 61 LYS CE . 30042 1 713 . 1 1 61 61 LYS N N 15 126.499 0.00 . 1 . . . . A 61 LYS N . 30042 1 714 . 1 1 62 62 TRP H H 1 7.996 0.00 . 1 . . . . A 62 TRP H . 30042 1 715 . 1 1 62 62 TRP HA H 1 4.366 0.01 . 1 . . . . A 62 TRP HA . 30042 1 716 . 1 1 62 62 TRP HB2 H 1 3.539 0.01 . 2 . . . . A 62 TRP HB2 . 30042 1 717 . 1 1 62 62 TRP HB3 H 1 3.285 0.00 . 2 . . . . A 62 TRP HB3 . 30042 1 718 . 1 1 62 62 TRP HD1 H 1 7.672 0.00 . 1 . . . . A 62 TRP HD1 . 30042 1 719 . 1 1 62 62 TRP HE1 H 1 9.955 0.00 . 1 . . . . A 62 TRP HE1 . 30042 1 720 . 1 1 62 62 TRP HE3 H 1 7.338 0.00 . 1 . . . . A 62 TRP HE3 . 30042 1 721 . 1 1 62 62 TRP HZ2 H 1 7.395 0.00 . 1 . . . . A 62 TRP HZ2 . 30042 1 722 . 1 1 62 62 TRP HZ3 H 1 6.900 0.00 . 1 . . . . A 62 TRP HZ3 . 30042 1 723 . 1 1 62 62 TRP HH2 H 1 6.881 0.00 . 1 . . . . A 62 TRP HH2 . 30042 1 724 . 1 1 62 62 TRP CA C 13 57.949 0.06 . 1 . . . . A 62 TRP CA . 30042 1 725 . 1 1 62 62 TRP CB C 13 27.290 0.09 . 1 . . . . A 62 TRP CB . 30042 1 726 . 1 1 62 62 TRP CD1 C 13 128.280 0.00 . 1 . . . . A 62 TRP CD1 . 30042 1 727 . 1 1 62 62 TRP CE3 C 13 120.636 0.00 . 1 . . . . A 62 TRP CE3 . 30042 1 728 . 1 1 62 62 TRP CZ2 C 13 115.252 0.00 . 1 . . . . A 62 TRP CZ2 . 30042 1 729 . 1 1 62 62 TRP CZ3 C 13 122.732 0.00 . 1 . . . . A 62 TRP CZ3 . 30042 1 730 . 1 1 62 62 TRP CH2 C 13 123.851 0.00 . 1 . . . . A 62 TRP CH2 . 30042 1 731 . 1 1 62 62 TRP N N 15 116.487 0.03 . 1 . . . . A 62 TRP N . 30042 1 732 . 1 1 62 62 TRP NE1 N 15 130.867 0.00 . 1 . . . . A 62 TRP NE1 . 30042 1 733 . 1 1 63 63 LEU H H 1 5.692 0.01 . 1 . . . . A 63 LEU H . 30042 1 734 . 1 1 63 63 LEU HA H 1 3.526 0.00 . 1 . . . . A 63 LEU HA . 30042 1 735 . 1 1 63 63 LEU HB2 H 1 1.260 0.01 . 2 . . . . A 63 LEU HB2 . 30042 1 736 . 1 1 63 63 LEU HB3 H 1 -0.105 0.01 . 2 . . . . A 63 LEU HB3 . 30042 1 737 . 1 1 63 63 LEU HG H 1 1.083 0.01 . 1 . . . . A 63 LEU HG . 30042 1 738 . 1 1 63 63 LEU HD11 H 1 0.553 0.01 . 1 . . . . A 63 LEU HD11 . 30042 1 739 . 1 1 63 63 LEU HD12 H 1 0.553 0.01 . 1 . . . . A 63 LEU HD12 . 30042 1 740 . 1 1 63 63 LEU HD13 H 1 0.553 0.01 . 1 . . . . A 63 LEU HD13 . 30042 1 741 . 1 1 63 63 LEU HD21 H 1 0.559 0.01 . 1 . . . . A 63 LEU HD21 . 30042 1 742 . 1 1 63 63 LEU HD22 H 1 0.559 0.01 . 1 . . . . A 63 LEU HD22 . 30042 1 743 . 1 1 63 63 LEU HD23 H 1 0.559 0.01 . 1 . . . . A 63 LEU HD23 . 30042 1 744 . 1 1 63 63 LEU CA C 13 56.124 0.07 . 1 . . . . A 63 LEU CA . 30042 1 745 . 1 1 63 63 LEU CB C 13 41.432 0.09 . 1 . . . . A 63 LEU CB . 30042 1 746 . 1 1 63 63 LEU CG C 13 26.402 0.13 . 1 . . . . A 63 LEU CG . 30042 1 747 . 1 1 63 63 LEU CD1 C 13 23.379 0.06 . 1 . . . . A 63 LEU CD1 . 30042 1 748 . 1 1 63 63 LEU CD2 C 13 25.301 0.10 . 1 . . . . A 63 LEU CD2 . 30042 1 749 . 1 1 63 63 LEU N N 15 124.080 0.03 . 1 . . . . A 63 LEU N . 30042 1 750 . 1 1 64 64 GLN H H 1 7.549 0.01 . 1 . . . . A 64 GLN H . 30042 1 751 . 1 1 64 64 GLN HA H 1 3.714 0.01 . 1 . . . . A 64 GLN HA . 30042 1 752 . 1 1 64 64 GLN HB2 H 1 2.105 0.01 . 2 . . . . A 64 GLN HB2 . 30042 1 753 . 1 1 64 64 GLN HB3 H 1 2.027 0.01 . 2 . . . . A 64 GLN HB3 . 30042 1 754 . 1 1 64 64 GLN HG2 H 1 2.401 0.01 . 2 . . . . A 64 GLN HG2 . 30042 1 755 . 1 1 64 64 GLN HG3 H 1 2.305 0.01 . 2 . . . . A 64 GLN HG3 . 30042 1 756 . 1 1 64 64 GLN HE21 H 1 7.332 0.00 . 2 . . . . A 64 GLN HE21 . 30042 1 757 . 1 1 64 64 GLN HE22 H 1 6.794 0.00 . 2 . . . . A 64 GLN HE22 . 30042 1 758 . 1 1 64 64 GLN CA C 13 59.200 0.06 . 1 . . . . A 64 GLN CA . 30042 1 759 . 1 1 64 64 GLN CB C 13 27.932 0.09 . 1 . . . . A 64 GLN CB . 30042 1 760 . 1 1 64 64 GLN CG C 13 33.751 0.08 . 1 . . . . A 64 GLN CG . 30042 1 761 . 1 1 64 64 GLN N N 15 117.838 0.04 . 1 . . . . A 64 GLN N . 30042 1 762 . 1 1 64 64 GLN NE2 N 15 112.678 0.08 . 1 . . . . A 64 GLN NE2 . 30042 1 763 . 1 1 65 65 ARG H H 1 7.853 0.01 . 1 . . . . A 65 ARG H . 30042 1 764 . 1 1 65 65 ARG HA H 1 4.021 0.01 . 1 . . . . A 65 ARG HA . 30042 1 765 . 1 1 65 65 ARG HB3 H 1 1.929 0.01 . 2 . . . . A 65 ARG HB3 . 30042 1 766 . 1 1 65 65 ARG HG2 H 1 1.775 0.00 . 2 . . . . A 65 ARG HG2 . 30042 1 767 . 1 1 65 65 ARG HG3 H 1 1.653 0.01 . 2 . . . . A 65 ARG HG3 . 30042 1 768 . 1 1 65 65 ARG HD2 H 1 3.259 0.01 . 2 . . . . A 65 ARG HD2 . 30042 1 769 . 1 1 65 65 ARG HD3 H 1 3.274 0.00 . 2 . . . . A 65 ARG HD3 . 30042 1 770 . 1 1 65 65 ARG CA C 13 59.185 0.05 . 1 . . . . A 65 ARG CA . 30042 1 771 . 1 1 65 65 ARG CB C 13 30.067 0.04 . 1 . . . . A 65 ARG CB . 30042 1 772 . 1 1 65 65 ARG CG C 13 27.778 0.07 . 1 . . . . A 65 ARG CG . 30042 1 773 . 1 1 65 65 ARG CD C 13 43.543 0.06 . 1 . . . . A 65 ARG CD . 30042 1 774 . 1 1 65 65 ARG N N 15 117.162 0.00 . 1 . . . . A 65 ARG N . 30042 1 775 . 1 1 66 66 LEU H H 1 7.462 0.01 . 1 . . . . A 66 LEU H . 30042 1 776 . 1 1 66 66 LEU HA H 1 4.253 0.01 . 1 . . . . A 66 LEU HA . 30042 1 777 . 1 1 66 66 LEU HB2 H 1 1.930 0.00 . 2 . . . . A 66 LEU HB2 . 30042 1 778 . 1 1 66 66 LEU HB3 H 1 1.806 0.01 . 2 . . . . A 66 LEU HB3 . 30042 1 779 . 1 1 66 66 LEU HG H 1 1.764 0.00 . 1 . . . . A 66 LEU HG . 30042 1 780 . 1 1 66 66 LEU HD11 H 1 1.084 0.01 . 1 . . . . A 66 LEU HD11 . 30042 1 781 . 1 1 66 66 LEU HD12 H 1 1.084 0.01 . 1 . . . . A 66 LEU HD12 . 30042 1 782 . 1 1 66 66 LEU HD13 H 1 1.084 0.01 . 1 . . . . A 66 LEU HD13 . 30042 1 783 . 1 1 66 66 LEU HD21 H 1 0.965 0.01 . 1 . . . . A 66 LEU HD21 . 30042 1 784 . 1 1 66 66 LEU HD22 H 1 0.965 0.01 . 1 . . . . A 66 LEU HD22 . 30042 1 785 . 1 1 66 66 LEU HD23 H 1 0.965 0.01 . 1 . . . . A 66 LEU HD23 . 30042 1 786 . 1 1 66 66 LEU CA C 13 57.681 0.11 . 1 . . . . A 66 LEU CA . 30042 1 787 . 1 1 66 66 LEU CB C 13 42.205 0.05 . 1 . . . . A 66 LEU CB . 30042 1 788 . 1 1 66 66 LEU CG C 13 27.331 0.06 . 1 . . . . A 66 LEU CG . 30042 1 789 . 1 1 66 66 LEU CD1 C 13 25.306 0.03 . 1 . . . . A 66 LEU CD1 . 30042 1 790 . 1 1 66 66 LEU CD2 C 13 25.016 0.10 . 1 . . . . A 66 LEU CD2 . 30042 1 791 . 1 1 66 66 LEU N N 15 120.594 0.00 . 1 . . . . A 66 LEU N . 30042 1 792 . 1 1 67 67 LEU H H 1 8.083 0.00 . 1 . . . . A 67 LEU H . 30042 1 793 . 1 1 67 67 LEU HA H 1 4.020 0.00 . 1 . . . . A 67 LEU HA . 30042 1 794 . 1 1 67 67 LEU HB2 H 1 1.727 0.01 . 2 . . . . A 67 LEU HB2 . 30042 1 795 . 1 1 67 67 LEU HB3 H 1 1.462 0.01 . 2 . . . . A 67 LEU HB3 . 30042 1 796 . 1 1 67 67 LEU HG H 1 1.716 0.01 . 1 . . . . A 67 LEU HG . 30042 1 797 . 1 1 67 67 LEU HD11 H 1 0.748 0.01 . 1 . . . . A 67 LEU HD11 . 30042 1 798 . 1 1 67 67 LEU HD12 H 1 0.748 0.01 . 1 . . . . A 67 LEU HD12 . 30042 1 799 . 1 1 67 67 LEU HD13 H 1 0.748 0.01 . 1 . . . . A 67 LEU HD13 . 30042 1 800 . 1 1 67 67 LEU HD21 H 1 0.718 0.01 . 1 . . . . A 67 LEU HD21 . 30042 1 801 . 1 1 67 67 LEU HD22 H 1 0.718 0.01 . 1 . . . . A 67 LEU HD22 . 30042 1 802 . 1 1 67 67 LEU HD23 H 1 0.718 0.01 . 1 . . . . A 67 LEU HD23 . 30042 1 803 . 1 1 67 67 LEU CA C 13 56.995 0.07 . 1 . . . . A 67 LEU CA . 30042 1 804 . 1 1 67 67 LEU CB C 13 41.250 0.07 . 1 . . . . A 67 LEU CB . 30042 1 805 . 1 1 67 67 LEU CG C 13 26.804 0.08 . 1 . . . . A 67 LEU CG . 30042 1 806 . 1 1 67 67 LEU CD1 C 13 25.438 0.06 . 1 . . . . A 67 LEU CD1 . 30042 1 807 . 1 1 67 67 LEU CD2 C 13 22.871 0.05 . 1 . . . . A 67 LEU CD2 . 30042 1 808 . 1 1 67 67 LEU N N 15 117.029 0.00 . 1 . . . . A 67 LEU N . 30042 1 809 . 1 1 68 68 ARG H H 1 7.510 0.01 . 1 . . . . A 68 ARG H . 30042 1 810 . 1 1 68 68 ARG HA H 1 4.131 0.01 . 1 . . . . A 68 ARG HA . 30042 1 811 . 1 1 68 68 ARG HB2 H 1 1.842 0.00 . 2 . . . . A 68 ARG HB2 . 30042 1 812 . 1 1 68 68 ARG HB3 H 1 1.836 0.01 . 2 . . . . A 68 ARG HB3 . 30042 1 813 . 1 1 68 68 ARG HG2 H 1 1.675 0.00 . 2 . . . . A 68 ARG HG2 . 30042 1 814 . 1 1 68 68 ARG HG3 H 1 1.603 0.01 . 2 . . . . A 68 ARG HG3 . 30042 1 815 . 1 1 68 68 ARG HD2 H 1 3.187 0.00 . 2 . . . . A 68 ARG HD2 . 30042 1 816 . 1 1 68 68 ARG HD3 H 1 3.186 0.00 . 2 . . . . A 68 ARG HD3 . 30042 1 817 . 1 1 68 68 ARG CA C 13 58.105 0.05 . 1 . . . . A 68 ARG CA . 30042 1 818 . 1 1 68 68 ARG CB C 13 30.130 0.08 . 1 . . . . A 68 ARG CB . 30042 1 819 . 1 1 68 68 ARG CG C 13 27.488 0.08 . 1 . . . . A 68 ARG CG . 30042 1 820 . 1 1 68 68 ARG CD C 13 43.464 0.02 . 1 . . . . A 68 ARG CD . 30042 1 821 . 1 1 68 68 ARG N N 15 117.746 0.00 . 1 . . . . A 68 ARG N . 30042 1 822 . 1 1 69 69 HIS H H 1 7.935 0.00 . 1 . . . . A 69 HIS H . 30042 1 823 . 1 1 69 69 HIS HA H 1 4.586 0.00 . 1 . . . . A 69 HIS HA . 30042 1 824 . 1 1 69 69 HIS HB2 H 1 3.382 0.01 . 2 . . . . A 69 HIS HB2 . 30042 1 825 . 1 1 69 69 HIS HB3 H 1 3.224 0.01 . 2 . . . . A 69 HIS HB3 . 30042 1 826 . 1 1 69 69 HIS HD2 H 1 7.116 0.00 . 1 . . . . A 69 HIS HD2 . 30042 1 827 . 1 1 69 69 HIS HE1 H 1 8.158 0.00 . 1 . . . . A 69 HIS HE1 . 30042 1 828 . 1 1 69 69 HIS CA C 13 57.463 0.04 . 1 . . . . A 69 HIS CA . 30042 1 829 . 1 1 69 69 HIS CB C 13 30.039 0.04 . 1 . . . . A 69 HIS CB . 30042 1 830 . 1 1 69 69 HIS CD2 C 13 120.036 0.00 . 1 . . . . A 69 HIS CD2 . 30042 1 831 . 1 1 69 69 HIS CE1 C 13 137.587 0.00 . 1 . . . . A 69 HIS CE1 . 30042 1 832 . 1 1 69 69 HIS N N 15 118.463 0.00 . 1 . . . . A 69 HIS N . 30042 1 833 . 1 1 70 70 VAL H H 1 7.994 0.00 . 1 . . . . A 70 VAL H . 30042 1 834 . 1 1 70 70 VAL HA H 1 4.002 0.01 . 1 . . . . A 70 VAL HA . 30042 1 835 . 1 1 70 70 VAL HB H 1 2.158 0.01 . 1 . . . . A 70 VAL HB . 30042 1 836 . 1 1 70 70 VAL HG11 H 1 1.016 0.01 . 2 . . . . A 70 VAL HG11 . 30042 1 837 . 1 1 70 70 VAL HG12 H 1 1.016 0.01 . 2 . . . . A 70 VAL HG12 . 30042 1 838 . 1 1 70 70 VAL HG13 H 1 1.016 0.01 . 2 . . . . A 70 VAL HG13 . 30042 1 839 . 1 1 70 70 VAL HG21 H 1 0.963 0.00 . 2 . . . . A 70 VAL HG21 . 30042 1 840 . 1 1 70 70 VAL HG22 H 1 0.963 0.00 . 2 . . . . A 70 VAL HG22 . 30042 1 841 . 1 1 70 70 VAL HG23 H 1 0.963 0.00 . 2 . . . . A 70 VAL HG23 . 30042 1 842 . 1 1 70 70 VAL CA C 13 63.648 0.07 . 1 . . . . A 70 VAL CA . 30042 1 843 . 1 1 70 70 VAL CB C 13 32.302 0.06 . 1 . . . . A 70 VAL CB . 30042 1 844 . 1 1 70 70 VAL CG1 C 13 21.504 0.09 . 2 . . . . A 70 VAL CG1 . 30042 1 845 . 1 1 70 70 VAL CG2 C 13 21.657 0.05 . 2 . . . . A 70 VAL CG2 . 30042 1 846 . 1 1 70 70 VAL N N 15 118.700 0.00 . 1 . . . . A 70 VAL N . 30042 1 847 . 1 1 71 71 GLN H H 1 8.181 0.01 . 1 . . . . A 71 GLN H . 30042 1 848 . 1 1 71 71 GLN HA H 1 4.314 0.01 . 1 . . . . A 71 GLN HA . 30042 1 849 . 1 1 71 71 GLN HB2 H 1 2.145 0.01 . 2 . . . . A 71 GLN HB2 . 30042 1 850 . 1 1 71 71 GLN HB3 H 1 2.083 0.01 . 2 . . . . A 71 GLN HB3 . 30042 1 851 . 1 1 71 71 GLN HG2 H 1 2.436 0.00 . 2 . . . . A 71 GLN HG2 . 30042 1 852 . 1 1 71 71 GLN HG3 H 1 2.372 0.00 . 2 . . . . A 71 GLN HG3 . 30042 1 853 . 1 1 71 71 GLN HE21 H 1 6.768 0.00 . 2 . . . . A 71 GLN HE21 . 30042 1 854 . 1 1 71 71 GLN HE22 H 1 7.374 0.00 . 2 . . . . A 71 GLN HE22 . 30042 1 855 . 1 1 71 71 GLN CA C 13 56.689 0.04 . 1 . . . . A 71 GLN CA . 30042 1 856 . 1 1 71 71 GLN CB C 13 29.213 0.07 . 1 . . . . A 71 GLN CB . 30042 1 857 . 1 1 71 71 GLN CG C 13 34.144 0.06 . 1 . . . . A 71 GLN CG . 30042 1 858 . 1 1 71 71 GLN N N 15 121.755 0.00 . 1 . . . . A 71 GLN N . 30042 1 859 . 1 1 71 71 GLN NE2 N 15 111.579 0.07 . 1 . . . . A 71 GLN NE2 . 30042 1 860 . 1 1 72 72 SER H H 1 8.112 0.00 . 1 . . . . A 72 SER H . 30042 1 861 . 1 1 72 72 SER HA H 1 4.420 0.01 . 1 . . . . A 72 SER HA . 30042 1 862 . 1 1 72 72 SER HB2 H 1 3.943 0.00 . 2 . . . . A 72 SER HB2 . 30042 1 863 . 1 1 72 72 SER HB3 H 1 3.913 0.00 . 2 . . . . A 72 SER HB3 . 30042 1 864 . 1 1 72 72 SER CA C 13 59.084 0.03 . 1 . . . . A 72 SER CA . 30042 1 865 . 1 1 72 72 SER CB C 13 63.716 0.04 . 1 . . . . A 72 SER CB . 30042 1 866 . 1 1 72 72 SER N N 15 116.486 0.00 . 1 . . . . A 72 SER N . 30042 1 867 . 1 1 73 73 LYS H H 1 8.136 0.00 . 1 . . . . A 73 LYS H . 30042 1 868 . 1 1 73 73 LYS HA H 1 4.355 0.01 . 1 . . . . A 73 LYS HA . 30042 1 869 . 1 1 73 73 LYS HB2 H 1 1.880 0.01 . 2 . . . . A 73 LYS HB2 . 30042 1 870 . 1 1 73 73 LYS HB3 H 1 1.783 0.01 . 2 . . . . A 73 LYS HB3 . 30042 1 871 . 1 1 73 73 LYS HG2 H 1 1.418 0.00 . 2 . . . . A 73 LYS HG2 . 30042 1 872 . 1 1 73 73 LYS HG3 H 1 1.447 0.01 . 2 . . . . A 73 LYS HG3 . 30042 1 873 . 1 1 73 73 LYS HD2 H 1 1.670 0.00 . 2 . . . . A 73 LYS HD2 . 30042 1 874 . 1 1 73 73 LYS HD3 H 1 1.676 0.00 . 2 . . . . A 73 LYS HD3 . 30042 1 875 . 1 1 73 73 LYS HE2 H 1 2.987 0.00 . 2 . . . . A 73 LYS HE2 . 30042 1 876 . 1 1 73 73 LYS HE3 H 1 2.979 0.01 . 2 . . . . A 73 LYS HE3 . 30042 1 877 . 1 1 73 73 LYS CA C 13 56.504 0.12 . 1 . . . . A 73 LYS CA . 30042 1 878 . 1 1 73 73 LYS CB C 13 32.836 0.03 . 1 . . . . A 73 LYS CB . 30042 1 879 . 1 1 73 73 LYS CG C 13 24.762 0.03 . 1 . . . . A 73 LYS CG . 30042 1 880 . 1 1 73 73 LYS CD C 13 28.977 0.02 . 1 . . . . A 73 LYS CD . 30042 1 881 . 1 1 73 73 LYS CE C 13 41.980 0.01 . 1 . . . . A 73 LYS CE . 30042 1 882 . 1 1 73 73 LYS N N 15 122.850 0.04 . 1 . . . . A 73 LYS N . 30042 1 883 . 1 1 74 74 SER H H 1 8.150 0.01 . 1 . . . . A 74 SER H . 30042 1 884 . 1 1 74 74 SER HA H 1 4.454 0.01 . 1 . . . . A 74 SER HA . 30042 1 885 . 1 1 74 74 SER CA C 13 58.637 0.11 . 1 . . . . A 74 SER CA . 30042 1 886 . 1 1 74 74 SER CB C 13 63.744 0.00 . 1 . . . . A 74 SER CB . 30042 1 887 . 1 1 74 74 SER N N 15 116.307 0.08 . 1 . . . . A 74 SER N . 30042 1 888 . 1 1 75 75 LEU H H 1 8.171 0.00 . 1 . . . . A 75 LEU H . 30042 1 889 . 1 1 75 75 LEU HA H 1 4.409 0.01 . 1 . . . . A 75 LEU HA . 30042 1 890 . 1 1 75 75 LEU HB2 H 1 1.671 0.00 . 2 . . . . A 75 LEU HB2 . 30042 1 891 . 1 1 75 75 LEU HB3 H 1 1.619 0.00 . 2 . . . . A 75 LEU HB3 . 30042 1 892 . 1 1 75 75 LEU HG H 1 1.644 0.00 . 1 . . . . A 75 LEU HG . 30042 1 893 . 1 1 75 75 LEU HD11 H 1 0.915 0.01 . 1 . . . . A 75 LEU HD11 . 30042 1 894 . 1 1 75 75 LEU HD12 H 1 0.915 0.01 . 1 . . . . A 75 LEU HD12 . 30042 1 895 . 1 1 75 75 LEU HD13 H 1 0.915 0.01 . 1 . . . . A 75 LEU HD13 . 30042 1 896 . 1 1 75 75 LEU HD21 H 1 0.861 0.01 . 1 . . . . A 75 LEU HD21 . 30042 1 897 . 1 1 75 75 LEU HD22 H 1 0.861 0.01 . 1 . . . . A 75 LEU HD22 . 30042 1 898 . 1 1 75 75 LEU HD23 H 1 0.861 0.01 . 1 . . . . A 75 LEU HD23 . 30042 1 899 . 1 1 75 75 LEU CA C 13 55.348 0.06 . 1 . . . . A 75 LEU CA . 30042 1 900 . 1 1 75 75 LEU CB C 13 42.460 0.10 . 1 . . . . A 75 LEU CB . 30042 1 901 . 1 1 75 75 LEU CG C 13 27.147 0.07 . 1 . . . . A 75 LEU CG . 30042 1 902 . 1 1 75 75 LEU CD1 C 13 25.174 0.05 . 1 . . . . A 75 LEU CD1 . 30042 1 903 . 1 1 75 75 LEU CD2 C 13 23.564 0.05 . 1 . . . . A 75 LEU CD2 . 30042 1 904 . 1 1 75 75 LEU N N 15 124.078 0.00 . 1 . . . . A 75 LEU N . 30042 1 905 . 1 1 76 76 SER H H 1 8.174 0.00 . 1 . . . . A 76 SER H . 30042 1 906 . 1 1 76 76 SER HA H 1 4.532 0.00 . 1 . . . . A 76 SER HA . 30042 1 907 . 1 1 76 76 SER CA C 13 58.218 0.12 . 1 . . . . A 76 SER CA . 30042 1 908 . 1 1 76 76 SER CB C 13 63.853 0.00 . 1 . . . . A 76 SER CB . 30042 1 909 . 1 1 76 76 SER N N 15 116.061 0.00 . 1 . . . . A 76 SER N . 30042 1 910 . 1 1 77 77 SER H H 1 8.230 0.00 . 1 . . . . A 77 SER H . 30042 1 911 . 1 1 77 77 SER HA H 1 4.531 0.01 . 1 . . . . A 77 SER HA . 30042 1 912 . 1 1 77 77 SER HB2 H 1 3.891 0.00 . 2 . . . . A 77 SER HB2 . 30042 1 913 . 1 1 77 77 SER HB3 H 1 3.873 0.01 . 2 . . . . A 77 SER HB3 . 30042 1 914 . 1 1 77 77 SER CA C 13 58.204 0.05 . 1 . . . . A 77 SER CA . 30042 1 915 . 1 1 77 77 SER CB C 13 63.878 0.06 . 1 . . . . A 77 SER CB . 30042 1 916 . 1 1 77 77 SER N N 15 117.900 0.00 . 1 . . . . A 77 SER N . 30042 1 917 . 1 1 78 78 THR H H 1 8.118 0.00 . 1 . . . . A 78 THR H . 30042 1 918 . 1 1 78 78 THR HA H 1 4.617 0.00 . 1 . . . . A 78 THR HA . 30042 1 919 . 1 1 78 78 THR HB H 1 4.143 0.01 . 1 . . . . A 78 THR HB . 30042 1 920 . 1 1 78 78 THR HG21 H 1 1.234 0.01 . 1 . . . . A 78 THR HG21 . 30042 1 921 . 1 1 78 78 THR HG22 H 1 1.234 0.01 . 1 . . . . A 78 THR HG22 . 30042 1 922 . 1 1 78 78 THR HG23 H 1 1.234 0.01 . 1 . . . . A 78 THR HG23 . 30042 1 923 . 1 1 78 78 THR CA C 13 59.849 0.07 . 1 . . . . A 78 THR CA . 30042 1 924 . 1 1 78 78 THR CB C 13 69.751 0.10 . 1 . . . . A 78 THR CB . 30042 1 925 . 1 1 78 78 THR CG2 C 13 21.486 0.04 . 1 . . . . A 78 THR CG2 . 30042 1 926 . 1 1 78 78 THR N N 15 118.438 0.07 . 1 . . . . A 78 THR N . 30042 1 927 . 1 1 79 79 PRO HA H 1 4.410 0.01 . 1 . . . . A 79 PRO HA . 30042 1 928 . 1 1 79 79 PRO HB2 H 1 2.284 0.01 . 2 . . . . A 79 PRO HB2 . 30042 1 929 . 1 1 79 79 PRO HB3 H 1 1.900 0.01 . 2 . . . . A 79 PRO HB3 . 30042 1 930 . 1 1 79 79 PRO HG2 H 1 2.034 0.00 . 2 . . . . A 79 PRO HG2 . 30042 1 931 . 1 1 79 79 PRO HG3 H 1 1.981 0.00 . 2 . . . . A 79 PRO HG3 . 30042 1 932 . 1 1 79 79 PRO HD2 H 1 3.842 0.01 . 2 . . . . A 79 PRO HD2 . 30042 1 933 . 1 1 79 79 PRO HD3 H 1 3.695 0.01 . 2 . . . . A 79 PRO HD3 . 30042 1 934 . 1 1 79 79 PRO CA C 13 63.359 0.08 . 1 . . . . A 79 PRO CA . 30042 1 935 . 1 1 79 79 PRO CB C 13 32.150 0.05 . 1 . . . . A 79 PRO CB . 30042 1 936 . 1 1 79 79 PRO CG C 13 27.526 0.05 . 1 . . . . A 79 PRO CG . 30042 1 937 . 1 1 79 79 PRO CD C 13 51.157 0.06 . 1 . . . . A 79 PRO CD . 30042 1 938 . 1 1 80 80 GLN H H 1 8.401 0.00 . 1 . . . . A 80 GLN H . 30042 1 939 . 1 1 80 80 GLN HA H 1 4.286 0.00 . 1 . . . . A 80 GLN HA . 30042 1 940 . 1 1 80 80 GLN HB2 H 1 2.072 0.00 . 2 . . . . A 80 GLN HB2 . 30042 1 941 . 1 1 80 80 GLN HB3 H 1 1.946 0.01 . 2 . . . . A 80 GLN HB3 . 30042 1 942 . 1 1 80 80 GLN HG2 H 1 2.370 0.00 . 2 . . . . A 80 GLN HG2 . 30042 1 943 . 1 1 80 80 GLN HG3 H 1 2.378 0.01 . 2 . . . . A 80 GLN HG3 . 30042 1 944 . 1 1 80 80 GLN HE21 H 1 6.795 0.00 . 2 . . . . A 80 GLN HE21 . 30042 1 945 . 1 1 80 80 GLN HE22 H 1 7.478 0.00 . 2 . . . . A 80 GLN HE22 . 30042 1 946 . 1 1 80 80 GLN CA C 13 55.479 0.07 . 1 . . . . A 80 GLN CA . 30042 1 947 . 1 1 80 80 GLN CB C 13 29.728 0.05 . 1 . . . . A 80 GLN CB . 30042 1 948 . 1 1 80 80 GLN CG C 13 33.916 0.03 . 1 . . . . A 80 GLN CG . 30042 1 949 . 1 1 80 80 GLN N N 15 121.174 0.00 . 1 . . . . A 80 GLN N . 30042 1 950 . 1 1 80 80 GLN NE2 N 15 112.873 0.00 . 1 . . . . A 80 GLN NE2 . 30042 1 951 . 1 1 81 81 ALA H H 1 8.277 0.00 . 1 . . . . A 81 ALA H . 30042 1 952 . 1 1 81 81 ALA HA H 1 4.578 0.00 . 1 . . . . A 81 ALA HA . 30042 1 953 . 1 1 81 81 ALA HB1 H 1 1.349 0.00 . 1 . . . . A 81 ALA HB1 . 30042 1 954 . 1 1 81 81 ALA HB2 H 1 1.349 0.00 . 1 . . . . A 81 ALA HB2 . 30042 1 955 . 1 1 81 81 ALA HB3 H 1 1.349 0.00 . 1 . . . . A 81 ALA HB3 . 30042 1 956 . 1 1 81 81 ALA CA C 13 50.501 0.05 . 1 . . . . A 81 ALA CA . 30042 1 957 . 1 1 81 81 ALA CB C 13 18.193 0.05 . 1 . . . . A 81 ALA CB . 30042 1 958 . 1 1 81 81 ALA N N 15 127.183 0.09 . 1 . . . . A 81 ALA N . 30042 1 959 . 1 1 82 82 PRO HA H 1 4.466 0.00 . 1 . . . . A 82 PRO HA . 30042 1 960 . 1 1 82 82 PRO HB2 H 1 2.280 0.01 . 2 . . . . A 82 PRO HB2 . 30042 1 961 . 1 1 82 82 PRO HB3 H 1 1.896 0.01 . 2 . . . . A 82 PRO HB3 . 30042 1 962 . 1 1 82 82 PRO HG2 H 1 2.011 0.01 . 2 . . . . A 82 PRO HG2 . 30042 1 963 . 1 1 82 82 PRO HG3 H 1 2.022 0.00 . 2 . . . . A 82 PRO HG3 . 30042 1 964 . 1 1 82 82 PRO HD2 H 1 3.790 0.00 . 2 . . . . A 82 PRO HD2 . 30042 1 965 . 1 1 82 82 PRO HD3 H 1 3.633 0.00 . 2 . . . . A 82 PRO HD3 . 30042 1 966 . 1 1 82 82 PRO CA C 13 63.009 0.04 . 1 . . . . A 82 PRO CA . 30042 1 967 . 1 1 82 82 PRO CB C 13 32.103 0.02 . 1 . . . . A 82 PRO CB . 30042 1 968 . 1 1 82 82 PRO CG C 13 27.468 0.04 . 1 . . . . A 82 PRO CG . 30042 1 969 . 1 1 82 82 PRO CD C 13 50.544 0.05 . 1 . . . . A 82 PRO CD . 30042 1 970 . 1 1 83 83 VAL H H 1 8.191 0.00 . 1 . . . . A 83 VAL H . 30042 1 971 . 1 1 83 83 VAL HA H 1 4.079 0.01 . 1 . . . . A 83 VAL HA . 30042 1 972 . 1 1 83 83 VAL HB H 1 2.066 0.00 . 1 . . . . A 83 VAL HB . 30042 1 973 . 1 1 83 83 VAL HG11 H 1 0.946 0.01 . 2 . . . . A 83 VAL HG11 . 30042 1 974 . 1 1 83 83 VAL HG12 H 1 0.946 0.01 . 2 . . . . A 83 VAL HG12 . 30042 1 975 . 1 1 83 83 VAL HG13 H 1 0.946 0.01 . 2 . . . . A 83 VAL HG13 . 30042 1 976 . 1 1 83 83 VAL HG21 H 1 0.957 0.01 . 2 . . . . A 83 VAL HG21 . 30042 1 977 . 1 1 83 83 VAL HG22 H 1 0.957 0.01 . 2 . . . . A 83 VAL HG22 . 30042 1 978 . 1 1 83 83 VAL HG23 H 1 0.957 0.01 . 2 . . . . A 83 VAL HG23 . 30042 1 979 . 1 1 83 83 VAL CA C 13 62.414 0.06 . 1 . . . . A 83 VAL CA . 30042 1 980 . 1 1 83 83 VAL CB C 13 32.799 0.10 . 1 . . . . A 83 VAL CB . 30042 1 981 . 1 1 83 83 VAL CG1 C 13 21.200 0.10 . 2 . . . . A 83 VAL CG1 . 30042 1 982 . 1 1 83 83 VAL CG2 C 13 20.751 0.12 . 2 . . . . A 83 VAL CG2 . 30042 1 983 . 1 1 83 83 VAL N N 15 120.732 0.12 . 1 . . . . A 83 VAL N . 30042 1 984 . 1 1 84 84 SER H H 1 8.295 0.00 . 1 . . . . A 84 SER H . 30042 1 985 . 1 1 84 84 SER HA H 1 4.491 0.02 . 1 . . . . A 84 SER HA . 30042 1 986 . 1 1 84 84 SER HB2 H 1 3.867 0.00 . 2 . . . . A 84 SER HB2 . 30042 1 987 . 1 1 84 84 SER CA C 13 58.300 0.07 . 1 . . . . A 84 SER CA . 30042 1 988 . 1 1 84 84 SER CB C 13 63.853 0.00 . 1 . . . . A 84 SER CB . 30042 1 989 . 1 1 84 84 SER N N 15 119.614 0.05 . 1 . . . . A 84 SER N . 30042 1 990 . 1 1 85 85 LYS H H 1 8.288 0.00 . 1 . . . . A 85 LYS H . 30042 1 991 . 1 1 85 85 LYS HA H 1 4.334 0.00 . 1 . . . . A 85 LYS HA . 30042 1 992 . 1 1 85 85 LYS HB2 H 1 1.846 0.00 . 2 . . . . A 85 LYS HB2 . 30042 1 993 . 1 1 85 85 LYS HB3 H 1 1.728 0.01 . 2 . . . . A 85 LYS HB3 . 30042 1 994 . 1 1 85 85 LYS HG2 H 1 1.412 0.00 . 2 . . . . A 85 LYS HG2 . 30042 1 995 . 1 1 85 85 LYS HG3 H 1 1.413 0.00 . 2 . . . . A 85 LYS HG3 . 30042 1 996 . 1 1 85 85 LYS HD2 H 1 1.674 0.00 . 2 . . . . A 85 LYS HD2 . 30042 1 997 . 1 1 85 85 LYS HD3 H 1 1.675 0.00 . 2 . . . . A 85 LYS HD3 . 30042 1 998 . 1 1 85 85 LYS HE2 H 1 2.987 0.00 . 2 . . . . A 85 LYS HE2 . 30042 1 999 . 1 1 85 85 LYS HE3 H 1 2.981 0.01 . 2 . . . . A 85 LYS HE3 . 30042 1 1000 . 1 1 85 85 LYS CA C 13 56.238 0.06 . 1 . . . . A 85 LYS CA . 30042 1 1001 . 1 1 85 85 LYS CB C 13 33.130 0.07 . 1 . . . . A 85 LYS CB . 30042 1 1002 . 1 1 85 85 LYS CG C 13 24.885 0.05 . 1 . . . . A 85 LYS CG . 30042 1 1003 . 1 1 85 85 LYS CD C 13 29.033 0.04 . 1 . . . . A 85 LYS CD . 30042 1 1004 . 1 1 85 85 LYS CE C 13 42.068 0.05 . 1 . . . . A 85 LYS CE . 30042 1 1005 . 1 1 85 85 LYS N N 15 123.826 0.09 . 1 . . . . A 85 LYS N . 30042 1 1006 . 1 1 86 86 ARG H H 1 8.220 0.00 . 1 . . . . A 86 ARG H . 30042 1 1007 . 1 1 86 86 ARG HA H 1 4.304 0.00 . 1 . . . . A 86 ARG HA . 30042 1 1008 . 1 1 86 86 ARG HB2 H 1 1.750 0.00 . 2 . . . . A 86 ARG HB2 . 30042 1 1009 . 1 1 86 86 ARG HB3 H 1 1.750 0.00 . 2 . . . . A 86 ARG HB3 . 30042 1 1010 . 1 1 86 86 ARG HG2 H 1 1.640 0.00 . 2 . . . . A 86 ARG HG2 . 30042 1 1011 . 1 1 86 86 ARG HG3 H 1 1.612 0.00 . 2 . . . . A 86 ARG HG3 . 30042 1 1012 . 1 1 86 86 ARG HD2 H 1 3.197 0.00 . 2 . . . . A 86 ARG HD2 . 30042 1 1013 . 1 1 86 86 ARG HD3 H 1 3.197 0.00 . 2 . . . . A 86 ARG HD3 . 30042 1 1014 . 1 1 86 86 ARG CA C 13 56.052 0.01 . 1 . . . . A 86 ARG CA . 30042 1 1015 . 1 1 86 86 ARG CB C 13 31.014 0.01 . 1 . . . . A 86 ARG CB . 30042 1 1016 . 1 1 86 86 ARG CG C 13 27.208 0.06 . 1 . . . . A 86 ARG CG . 30042 1 1017 . 1 1 86 86 ARG CD C 13 43.387 0.01 . 1 . . . . A 86 ARG CD . 30042 1 1018 . 1 1 86 86 ARG N N 15 122.736 0.00 . 1 . . . . A 86 ARG N . 30042 1 1019 . 1 1 87 87 ARG H H 1 8.346 0.00 . 1 . . . . A 87 ARG H . 30042 1 1020 . 1 1 87 87 ARG HA H 1 4.306 0.00 . 1 . . . . A 87 ARG HA . 30042 1 1021 . 1 1 87 87 ARG HB2 H 1 1.838 0.01 . 2 . . . . A 87 ARG HB2 . 30042 1 1022 . 1 1 87 87 ARG HB3 H 1 1.750 0.00 . 2 . . . . A 87 ARG HB3 . 30042 1 1023 . 1 1 87 87 ARG HG2 H 1 1.639 0.00 . 2 . . . . A 87 ARG HG2 . 30042 1 1024 . 1 1 87 87 ARG HG3 H 1 1.610 0.00 . 2 . . . . A 87 ARG HG3 . 30042 1 1025 . 1 1 87 87 ARG HD2 H 1 3.196 0.00 . 2 . . . . A 87 ARG HD2 . 30042 1 1026 . 1 1 87 87 ARG HD3 H 1 3.197 0.01 . 2 . . . . A 87 ARG HD3 . 30042 1 1027 . 1 1 87 87 ARG CA C 13 56.049 0.04 . 1 . . . . A 87 ARG CA . 30042 1 1028 . 1 1 87 87 ARG CB C 13 30.969 0.05 . 1 . . . . A 87 ARG CB . 30042 1 1029 . 1 1 87 87 ARG CG C 13 27.182 0.04 . 1 . . . . A 87 ARG CG . 30042 1 1030 . 1 1 87 87 ARG CD C 13 43.387 0.01 . 1 . . . . A 87 ARG CD . 30042 1 1031 . 1 1 87 87 ARG N N 15 123.555 0.00 . 1 . . . . A 87 ARG N . 30042 1 1032 . 1 1 88 88 ALA H H 1 8.302 0.01 . 1 . . . . A 88 ALA H . 30042 1 1033 . 1 1 88 88 ALA HA H 1 4.302 0.00 . 1 . . . . A 88 ALA HA . 30042 1 1034 . 1 1 88 88 ALA HB1 H 1 1.383 0.00 . 1 . . . . A 88 ALA HB1 . 30042 1 1035 . 1 1 88 88 ALA HB2 H 1 1.383 0.00 . 1 . . . . A 88 ALA HB2 . 30042 1 1036 . 1 1 88 88 ALA HB3 H 1 1.383 0.00 . 1 . . . . A 88 ALA HB3 . 30042 1 1037 . 1 1 88 88 ALA CA C 13 52.382 0.06 . 1 . . . . A 88 ALA CA . 30042 1 1038 . 1 1 88 88 ALA CB C 13 19.412 0.02 . 1 . . . . A 88 ALA CB . 30042 1 1039 . 1 1 88 88 ALA N N 15 126.680 0.05 . 1 . . . . A 88 ALA N . 30042 1 1040 . 1 1 89 89 ALA H H 1 7.830 0.00 . 1 . . . . A 89 ALA H . 30042 1 1041 . 1 1 89 89 ALA HA H 1 4.093 0.00 . 1 . . . . A 89 ALA HA . 30042 1 1042 . 1 1 89 89 ALA HB1 H 1 1.316 0.01 . 1 . . . . A 89 ALA HB1 . 30042 1 1043 . 1 1 89 89 ALA HB2 H 1 1.316 0.01 . 1 . . . . A 89 ALA HB2 . 30042 1 1044 . 1 1 89 89 ALA HB3 H 1 1.316 0.01 . 1 . . . . A 89 ALA HB3 . 30042 1 1045 . 1 1 89 89 ALA CA C 13 53.767 0.05 . 1 . . . . A 89 ALA CA . 30042 1 1046 . 1 1 89 89 ALA CB C 13 20.287 0.06 . 1 . . . . A 89 ALA CB . 30042 1 1047 . 1 1 89 89 ALA N N 15 129.116 0.00 . 1 . . . . A 89 ALA N . 30042 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1 30042 1 1 2 30042 1 1 3 30042 1 1 564 30042 1 1 565 30042 1 1 566 30042 1 2 4 30042 1 2 570 30042 1 stop_ save_