data_30880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30880 _Entry.Title ; NMR structure of the Human T-cell leukemia virus 1 matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-15 _Entry.Accession_date 2021-03-15 _Entry.Last_release_date 2021-03-18 _Entry.Original_release_date 2021-03-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 D. Herrmann D. . . . 30880 2 J. Saad J. S. . . 30880 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Gag . 30880 HTLV-1 . 30880 'Human T-cell leukemia virus 1' . 30880 Matrix . 30880 'VIRAL PROTEIN' . 30880 'membrane-binding protein' . 30880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 30880 '15N chemical shifts' 95 30880 '1H chemical shifts' 698 30880 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 . . 2022-04-11 2021-03-01 update BMRB 'update entry citation' 30880 1 . . 2021-09-17 2021-03-01 original author 'original release' 30880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7M1W 'BMRB Entry Tracking System' 30880 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30880 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34298060 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into the Mechanism of Human T-cell Leukemia Virus Type 1 Gag Targeting to the Plasma Membrane for Assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167161 _Citation.Page_last 167161 _Citation.Year 2021 _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 Dominik Herrmann D. . . . 30880 1 2 Lynne Zhou L. W. . . 30880 1 3 Heather Hanson H. M. . . 30880 1 4 Nora Willkomm N. A. . . 30880 1 5 Louis Mansky L. M. . . 30880 1 6 Jamil Saad J. S. . . 30880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30880 _Assembly.ID 1 _Assembly.Name 'Matrix protein p19' _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 unit_1 1 $entity_1 A A yes . . . . . . 30880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30880 _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 ; MGRIFSRSASPIPRPPRGLA AHHWLNFLQAAYRLEPGPSS YDFHQLKKFLKIALETPVWI CPINYSLLASLLPKGYPGRV NEILHILIQTQAQIPSRPAH HHHHH ; _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 105 _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 12026.986 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30880 1 2 . GLY . 30880 1 3 . ARG . 30880 1 4 . ILE . 30880 1 5 . PHE . 30880 1 6 . SER . 30880 1 7 . ARG . 30880 1 8 . SER . 30880 1 9 . ALA . 30880 1 10 . SER . 30880 1 11 . PRO . 30880 1 12 . ILE . 30880 1 13 . PRO . 30880 1 14 . ARG . 30880 1 15 . PRO . 30880 1 16 . PRO . 30880 1 17 . ARG . 30880 1 18 . GLY . 30880 1 19 . LEU . 30880 1 20 . ALA . 30880 1 21 . ALA . 30880 1 22 . HIS . 30880 1 23 . HIS . 30880 1 24 . TRP . 30880 1 25 . LEU . 30880 1 26 . ASN . 30880 1 27 . PHE . 30880 1 28 . LEU . 30880 1 29 . GLN . 30880 1 30 . ALA . 30880 1 31 . ALA . 30880 1 32 . TYR . 30880 1 33 . ARG . 30880 1 34 . LEU . 30880 1 35 . GLU . 30880 1 36 . PRO . 30880 1 37 . GLY . 30880 1 38 . PRO . 30880 1 39 . SER . 30880 1 40 . SER . 30880 1 41 . TYR . 30880 1 42 . ASP . 30880 1 43 . PHE . 30880 1 44 . HIS . 30880 1 45 . GLN . 30880 1 46 . LEU . 30880 1 47 . LYS . 30880 1 48 . LYS . 30880 1 49 . PHE . 30880 1 50 . LEU . 30880 1 51 . LYS . 30880 1 52 . ILE . 30880 1 53 . ALA . 30880 1 54 . LEU . 30880 1 55 . GLU . 30880 1 56 . THR . 30880 1 57 . PRO . 30880 1 58 . VAL . 30880 1 59 . TRP . 30880 1 60 . ILE . 30880 1 61 . CYS . 30880 1 62 . PRO . 30880 1 63 . ILE . 30880 1 64 . ASN . 30880 1 65 . TYR . 30880 1 66 . SER . 30880 1 67 . LEU . 30880 1 68 . LEU . 30880 1 69 . ALA . 30880 1 70 . SER . 30880 1 71 . LEU . 30880 1 72 . LEU . 30880 1 73 . PRO . 30880 1 74 . LYS . 30880 1 75 . GLY . 30880 1 76 . TYR . 30880 1 77 . PRO . 30880 1 78 . GLY . 30880 1 79 . ARG . 30880 1 80 . VAL . 30880 1 81 . ASN . 30880 1 82 . GLU . 30880 1 83 . ILE . 30880 1 84 . LEU . 30880 1 85 . HIS . 30880 1 86 . ILE . 30880 1 87 . LEU . 30880 1 88 . ILE . 30880 1 89 . GLN . 30880 1 90 . THR . 30880 1 91 . GLN . 30880 1 92 . ALA . 30880 1 93 . GLN . 30880 1 94 . ILE . 30880 1 95 . PRO . 30880 1 96 . SER . 30880 1 97 . ARG . 30880 1 98 . PRO . 30880 1 99 . ALA . 30880 1 100 . HIS . 30880 1 101 . HIS . 30880 1 102 . HIS . 30880 1 103 . HIS . 30880 1 104 . HIS . 30880 1 105 . HIS . 30880 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 30880 1 . GLY 2 2 30880 1 . ARG 3 3 30880 1 . ILE 4 4 30880 1 . PHE 5 5 30880 1 . SER 6 6 30880 1 . ARG 7 7 30880 1 . SER 8 8 30880 1 . ALA 9 9 30880 1 . SER 10 10 30880 1 . PRO 11 11 30880 1 . ILE 12 12 30880 1 . PRO 13 13 30880 1 . ARG 14 14 30880 1 . PRO 15 15 30880 1 . PRO 16 16 30880 1 . ARG 17 17 30880 1 . GLY 18 18 30880 1 . LEU 19 19 30880 1 . ALA 20 20 30880 1 . ALA 21 21 30880 1 . HIS 22 22 30880 1 . HIS 23 23 30880 1 . TRP 24 24 30880 1 . LEU 25 25 30880 1 . ASN 26 26 30880 1 . PHE 27 27 30880 1 . LEU 28 28 30880 1 . GLN 29 29 30880 1 . ALA 30 30 30880 1 . ALA 31 31 30880 1 . TYR 32 32 30880 1 . ARG 33 33 30880 1 . LEU 34 34 30880 1 . GLU 35 35 30880 1 . PRO 36 36 30880 1 . GLY 37 37 30880 1 . PRO 38 38 30880 1 . SER 39 39 30880 1 . SER 40 40 30880 1 . TYR 41 41 30880 1 . ASP 42 42 30880 1 . PHE 43 43 30880 1 . HIS 44 44 30880 1 . GLN 45 45 30880 1 . LEU 46 46 30880 1 . LYS 47 47 30880 1 . LYS 48 48 30880 1 . PHE 49 49 30880 1 . LEU 50 50 30880 1 . LYS 51 51 30880 1 . ILE 52 52 30880 1 . ALA 53 53 30880 1 . LEU 54 54 30880 1 . GLU 55 55 30880 1 . THR 56 56 30880 1 . PRO 57 57 30880 1 . VAL 58 58 30880 1 . TRP 59 59 30880 1 . ILE 60 60 30880 1 . CYS 61 61 30880 1 . PRO 62 62 30880 1 . ILE 63 63 30880 1 . ASN 64 64 30880 1 . TYR 65 65 30880 1 . SER 66 66 30880 1 . LEU 67 67 30880 1 . LEU 68 68 30880 1 . ALA 69 69 30880 1 . SER 70 70 30880 1 . LEU 71 71 30880 1 . LEU 72 72 30880 1 . PRO 73 73 30880 1 . LYS 74 74 30880 1 . GLY 75 75 30880 1 . TYR 76 76 30880 1 . PRO 77 77 30880 1 . GLY 78 78 30880 1 . ARG 79 79 30880 1 . VAL 80 80 30880 1 . ASN 81 81 30880 1 . GLU 82 82 30880 1 . ILE 83 83 30880 1 . LEU 84 84 30880 1 . HIS 85 85 30880 1 . ILE 86 86 30880 1 . LEU 87 87 30880 1 . ILE 88 88 30880 1 . GLN 89 89 30880 1 . THR 90 90 30880 1 . GLN 91 91 30880 1 . ALA 92 92 30880 1 . GLN 93 93 30880 1 . ILE 94 94 30880 1 . PRO 95 95 30880 1 . SER 96 96 30880 1 . ARG 97 97 30880 1 . PRO 98 98 30880 1 . ALA 99 99 30880 1 . HIS 100 100 30880 1 . HIS 101 101 30880 1 . HIS 102 102 30880 1 . HIS 103 103 30880 1 . HIS 104 104 30880 1 . HIS 105 105 30880 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 30880 _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 . 11908 organism . 'Human T-cell leukemia virus type I' HTLV-1 . . Viruses . Deltaretrovirus HTLV-1 . . . . . . . . . . . gag-pro . 30880 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 30880 _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' . . 562 Escherichia coli . . . . . . . . . . 30880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30880 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 50 mM sodium phosphate, 2 mM TCEP, 400 uM [U-99% 13C; U-99% 15N] HTLV-1 Matrix, 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30880 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30880 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 30880 1 4 'HTLV-1 Matrix' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30880 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30880 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 50 mM sodium phosphate, 2 mM TCEP, 320 uM [U-99% 13C; U-99% 15N] HTLV-1 Matrix, 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30880 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30880 2 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 30880 2 4 'HTLV-1 Matrix' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 320 . . uM . . . . 30880 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30880 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 50 mM sodium phosphate, 2 mM TCEP, 500 uM [U-99% 15N] HTLV-1 Matrix, 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30880 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30880 3 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 30880 3 4 'HTLV-1 Matrix' '[U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 30880 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30880 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30880 1 pH 6.0 . pH 30880 1 pressure 1 . atm 30880 1 temperature 308 . K 30880 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30880 _Software.ID 1 _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.' . . 30880 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30880 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30880 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30880 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30880 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30880 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30880 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30880 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30880 _Software.ID 4 _Software.Type . _Software.Name UNIO _Software.Version 10 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 30880 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30880 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30880 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30880 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30880 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30880 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30880 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30880 6 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 30880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30880 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'AVANCE II' . 700 . . . 30880 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 30880 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 4 HN(CO)CACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 6 '3D 15N-separated NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 7 '3D 13C-separated NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 8 '3D HCCH-TOCSY arom.' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 9 '3D HCCH-TOCSY ali.' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 1 11 '3D 15N-separated TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30880 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 30880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30880 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30880 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30880 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 30880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 HNCA' . . . 30880 1 2 '3D HNCO' . . . 30880 1 3 '3D HNCACB' . . . 30880 1 4 HN(CO)CACB . . . 30880 1 5 '3D HN(CO)CA' . . . 30880 1 6 '3D 15N-separated NOESY' . . . 30880 1 7 '3D 13C-separated NOESY' . . . 30880 1 8 '3D HCCH-TOCSY arom.' . . . 30880 1 9 '3D HCCH-TOCSY ali.' . . . 30880 1 10 '2D 1H-15N HSQC' . . . 30880 1 11 '3D 15N-separated TOCSY' . . . 30880 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 GLY H H 1 7.127 0.012 . 1 . . 128 . A 2 GLY H . 30880 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.306 0.007 . 2 . . 1297 . A 2 GLY HA2 . 30880 1 3 . 1 . 1 2 2 GLY HA3 H 1 3.246 0.008 . 2 . . 1298 . A 2 GLY HA3 . 30880 1 4 . 1 . 1 2 2 GLY C C 13 174.225 . . 1 . . 285 . A 2 GLY C . 30880 1 5 . 1 . 1 2 2 GLY CA C 13 44.802 0.081 . 1 . . 652 . A 2 GLY CA . 30880 1 6 . 1 . 1 2 2 GLY N N 15 104.499 0.027 . 1 . . 129 . A 2 GLY N . 30880 1 7 . 1 . 1 3 3 ARG H H 1 8.185 0.006 . 1 . . 464 . A 3 ARG H . 30880 1 8 . 1 . 1 3 3 ARG C C 13 175.902 . . 1 . . 218 . A 3 ARG C . 30880 1 9 . 1 . 1 3 3 ARG CB C 13 30.828 . . 1 . . 482 . A 3 ARG CB . 30880 1 10 . 1 . 1 3 3 ARG N N 15 120.643 0.035 . 1 . . 465 . A 3 ARG N . 30880 1 11 . 1 . 1 4 4 ILE H H 1 8.253 0.002 . 1 . . 89 . A 4 ILE H . 30880 1 12 . 1 . 1 4 4 ILE HA H 1 4.193 0.009 . 1 . . 909 . A 4 ILE HA . 30880 1 13 . 1 . 1 4 4 ILE HB H 1 1.817 0.003 . 1 . . 910 . A 4 ILE HB . 30880 1 14 . 1 . 1 4 4 ILE HG12 H 1 1.460 0.012 . 2 . . 912 . A 4 ILE HG12 . 30880 1 15 . 1 . 1 4 4 ILE HG13 H 1 1.168 0.008 . 2 . . 913 . A 4 ILE HG13 . 30880 1 16 . 1 . 1 4 4 ILE HG21 H 1 0.860 0.005 . 1 . . 915 . A 4 ILE HG21 . 30880 1 17 . 1 . 1 4 4 ILE HG22 H 1 0.860 0.005 . 1 . . 915 . A 4 ILE HG22 . 30880 1 18 . 1 . 1 4 4 ILE HG23 H 1 0.860 0.005 . 1 . . 915 . A 4 ILE HG23 . 30880 1 19 . 1 . 1 4 4 ILE HD11 H 1 0.863 0.007 . 1 . . 917 . A 4 ILE HD11 . 30880 1 20 . 1 . 1 4 4 ILE HD12 H 1 0.863 0.007 . 1 . . 917 . A 4 ILE HD12 . 30880 1 21 . 1 . 1 4 4 ILE HD13 H 1 0.863 0.007 . 1 . . 917 . A 4 ILE HD13 . 30880 1 22 . 1 . 1 4 4 ILE C C 13 175.873 . . 1 . . 233 . A 4 ILE C . 30880 1 23 . 1 . 1 4 4 ILE CA C 13 60.887 0.09 . 1 . . 433 . A 4 ILE CA . 30880 1 24 . 1 . 1 4 4 ILE CB C 13 38.805 0.076 . 1 . . 434 . A 4 ILE CB . 30880 1 25 . 1 . 1 4 4 ILE CG1 C 13 27.225 0.047 . 1 . . 911 . A 4 ILE CG1 . 30880 1 26 . 1 . 1 4 4 ILE CG2 C 13 17.410 0.066 . 1 . . 914 . A 4 ILE CG2 . 30880 1 27 . 1 . 1 4 4 ILE CD1 C 13 12.650 0.035 . 1 . . 916 . A 4 ILE CD1 . 30880 1 28 . 1 . 1 4 4 ILE N N 15 122.351 0.032 . 1 . . 90 . A 4 ILE N . 30880 1 29 . 1 . 1 5 5 PHE H H 1 8.419 0.006 . 1 . . 93 . A 5 PHE H . 30880 1 30 . 1 . 1 5 5 PHE HA H 1 4.703 0.012 . 1 . . 522 . A 5 PHE HA . 30880 1 31 . 1 . 1 5 5 PHE HB2 H 1 3.043 0.005 . 2 . . 523 . A 5 PHE HB2 . 30880 1 32 . 1 . 1 5 5 PHE HB3 H 1 3.160 0.009 . 2 . . 1121 . A 5 PHE HB3 . 30880 1 33 . 1 . 1 5 5 PHE HD1 H 1 7.285 0.001 . 1 . . 1122 . A 5 PHE HD1 . 30880 1 34 . 1 . 1 5 5 PHE HD2 H 1 7.285 0.001 . 1 . . 1122 . A 5 PHE HD2 . 30880 1 35 . 1 . 1 5 5 PHE HE1 H 1 7.348 0.001 . 1 . . 1127 . A 5 PHE HE1 . 30880 1 36 . 1 . 1 5 5 PHE HE2 H 1 7.348 0.001 . 1 . . 1127 . A 5 PHE HE2 . 30880 1 37 . 1 . 1 5 5 PHE HZ H 1 7.344 0.004 . 1 . . 1125 . A 5 PHE HZ . 30880 1 38 . 1 . 1 5 5 PHE C C 13 175.454 . . 1 . . 624 . A 5 PHE C . 30880 1 39 . 1 . 1 5 5 PHE CA C 13 57.639 0.069 . 1 . . 372 . A 5 PHE CA . 30880 1 40 . 1 . 1 5 5 PHE CB C 13 39.823 0.069 . 1 . . 415 . A 5 PHE CB . 30880 1 41 . 1 . 1 5 5 PHE CD1 C 13 131.778 0.143 . 1 . . 1123 . A 5 PHE CD1 . 30880 1 42 . 1 . 1 5 5 PHE CD2 C 13 131.778 0.143 . 1 . . 1123 . A 5 PHE CD2 . 30880 1 43 . 1 . 1 5 5 PHE CE1 C 13 131.375 0.049 . 1 . . 1126 . A 5 PHE CE1 . 30880 1 44 . 1 . 1 5 5 PHE CE2 C 13 131.375 0.049 . 1 . . 1126 . A 5 PHE CE2 . 30880 1 45 . 1 . 1 5 5 PHE CZ C 13 129.582 0.08 . 1 . . 1124 . A 5 PHE CZ . 30880 1 46 . 1 . 1 5 5 PHE N N 15 125.065 0.082 . 1 . . 94 . A 5 PHE N . 30880 1 47 . 1 . 1 6 6 SER H H 1 8.204 0.005 . 1 . . 344 . A 6 SER H . 30880 1 48 . 1 . 1 6 6 SER HA H 1 4.485 0.006 . 1 . . 566 . A 6 SER HA . 30880 1 49 . 1 . 1 6 6 SER HB2 H 1 3.874 0.005 . 2 . . 812 . A 6 SER HB2 . 30880 1 50 . 1 . 1 6 6 SER HB3 H 1 3.864 . . 2 . . 1180 . A 6 SER HB3 . 30880 1 51 . 1 . 1 6 6 SER C C 13 174.383 . . 1 . . 253 . A 6 SER C . 30880 1 52 . 1 . 1 6 6 SER CA C 13 57.906 0.099 . 1 . . 414 . A 6 SER CA . 30880 1 53 . 1 . 1 6 6 SER CB C 13 64.016 0.015 . 1 . . 447 . A 6 SER CB . 30880 1 54 . 1 . 1 6 6 SER N N 15 117.764 0.078 . 1 . . 345 . A 6 SER N . 30880 1 55 . 1 . 1 7 7 ARG H H 1 8.423 0.01 . 1 . . 81 . A 7 ARG H . 30880 1 56 . 1 . 1 7 7 ARG C C 13 176.387 . . 1 . . 630 . A 7 ARG C . 30880 1 57 . 1 . 1 7 7 ARG CA C 13 56.462 0.018 . 1 . . 443 . A 7 ARG CA . 30880 1 58 . 1 . 1 7 7 ARG CB C 13 30.754 0.034 . 1 . . 444 . A 7 ARG CB . 30880 1 59 . 1 . 1 7 7 ARG N N 15 123.400 0.149 . 1 . . 82 . A 7 ARG N . 30880 1 60 . 1 . 1 8 8 SER H H 1 8.291 0.009 . 1 . . 43 . A 8 SER H . 30880 1 61 . 1 . 1 8 8 SER HA H 1 4.470 0.002 . 1 . . 1271 . A 8 SER HA . 30880 1 62 . 1 . 1 8 8 SER HB2 H 1 3.923 0.012 . 1 . . 1272 . A 8 SER HB2 . 30880 1 63 . 1 . 1 8 8 SER C C 13 174.193 . . 1 . . 242 . A 8 SER C . 30880 1 64 . 1 . 1 8 8 SER CA C 13 58.420 0.068 . 1 . . 321 . A 8 SER CA . 30880 1 65 . 1 . 1 8 8 SER CB C 13 63.936 0.043 . 1 . . 410 . A 8 SER CB . 30880 1 66 . 1 . 1 8 8 SER N N 15 116.411 0.031 . 1 . . 44 . A 8 SER N . 30880 1 67 . 1 . 1 9 9 ALA H H 1 8.304 0.006 . 1 . . 17 . A 9 ALA H . 30880 1 68 . 1 . 1 9 9 ALA HA H 1 4.464 0.014 . 1 . . 907 . A 9 ALA HA . 30880 1 69 . 1 . 1 9 9 ALA HB1 H 1 1.468 0.007 . 1 . . 908 . A 9 ALA HB1 . 30880 1 70 . 1 . 1 9 9 ALA HB2 H 1 1.468 0.007 . 1 . . 908 . A 9 ALA HB2 . 30880 1 71 . 1 . 1 9 9 ALA HB3 H 1 1.468 0.007 . 1 . . 908 . A 9 ALA HB3 . 30880 1 72 . 1 . 1 9 9 ALA C C 13 177.427 . . 1 . . 596 . A 9 ALA C . 30880 1 73 . 1 . 1 9 9 ALA CA C 13 52.414 0.073 . 1 . . 373 . A 9 ALA CA . 30880 1 74 . 1 . 1 9 9 ALA CB C 13 19.516 0.062 . 1 . . 412 . A 9 ALA CB . 30880 1 75 . 1 . 1 9 9 ALA N N 15 125.835 0.055 . 1 . . 18 . A 9 ALA N . 30880 1 76 . 1 . 1 10 10 SER H H 1 8.220 0.003 . 1 . . 47 . A 10 SER H . 30880 1 77 . 1 . 1 10 10 SER HA H 1 4.805 0.001 . 1 . . 1273 . A 10 SER HA . 30880 1 78 . 1 . 1 10 10 SER HB2 H 1 3.877 0.012 . 1 . . 1274 . A 10 SER HB2 . 30880 1 79 . 1 . 1 10 10 SER CA C 13 56.418 0.019 . 1 . . 322 . A 10 SER CA . 30880 1 80 . 1 . 1 10 10 SER CB C 13 63.635 0.045 . 1 . . 487 . A 10 SER CB . 30880 1 81 . 1 . 1 10 10 SER N N 15 116.231 0.052 . 1 . . 48 . A 10 SER N . 30880 1 82 . 1 . 1 11 11 PRO HA H 1 4.546 . . 1 . . 1184 . A 11 PRO HA . 30880 1 83 . 1 . 1 11 11 PRO HB2 H 1 2.341 0.005 . 1 . . 1342 . A 11 PRO HB2 . 30880 1 84 . 1 . 1 11 11 PRO HG2 H 1 1.533 . . 2 . . 1344 . A 11 PRO HG2 . 30880 1 85 . 1 . 1 11 11 PRO HG3 H 1 1.134 . . 2 . . 1346 . A 11 PRO HG3 . 30880 1 86 . 1 . 1 11 11 PRO HD2 H 1 3.821 . . 2 . . 1355 . A 11 PRO HD2 . 30880 1 87 . 1 . 1 11 11 PRO HD3 H 1 3.941 . . 2 . . 1356 . A 11 PRO HD3 . 30880 1 88 . 1 . 1 11 11 PRO C C 13 174.947 . . 1 . . 603 . A 11 PRO C . 30880 1 89 . 1 . 1 11 11 PRO CA C 13 63.279 . . 1 . . 1349 . A 11 PRO CA . 30880 1 90 . 1 . 1 11 11 PRO CB C 13 32.167 0.117 . 1 . . 1352 . A 11 PRO CB . 30880 1 91 . 1 . 1 12 12 ILE H H 1 8.136 0.018 . 1 . . 216 . A 12 ILE H . 30880 1 92 . 1 . 1 12 12 ILE HA H 1 4.315 . . 1 . . 1340 . A 12 ILE HA . 30880 1 93 . 1 . 1 12 12 ILE HG12 H 1 1.860 0.0 . 1 . . 1343 . A 12 ILE HG12 . 30880 1 94 . 1 . 1 12 12 ILE HD11 H 1 0.955 0.009 . 1 . . 1345 . A 12 ILE HD11 . 30880 1 95 . 1 . 1 12 12 ILE HD12 H 1 0.955 0.009 . 1 . . 1345 . A 12 ILE HD12 . 30880 1 96 . 1 . 1 12 12 ILE HD13 H 1 0.955 0.009 . 1 . . 1345 . A 12 ILE HD13 . 30880 1 97 . 1 . 1 12 12 ILE CA C 13 61.145 0.028 . 1 . . 366 . A 12 ILE CA . 30880 1 98 . 1 . 1 12 12 ILE CB C 13 38.695 0.049 . 1 . . 475 . A 12 ILE CB . 30880 1 99 . 1 . 1 12 12 ILE N N 15 121.666 0.217 . 1 . . 217 . A 12 ILE N . 30880 1 100 . 1 . 1 13 13 PRO HA H 1 4.554 0.006 . 1 . . 1041 . A 13 PRO HA . 30880 1 101 . 1 . 1 13 13 PRO HB2 H 1 2.334 0.001 . 2 . . 1040 . A 13 PRO HB2 . 30880 1 102 . 1 . 1 13 13 PRO HB3 H 1 2.384 . . 2 . . 1186 . A 13 PRO HB3 . 30880 1 103 . 1 . 1 13 13 PRO HG2 H 1 1.463 . . 1 . . 1353 . A 13 PRO HG2 . 30880 1 104 . 1 . 1 13 13 PRO C C 13 176.476 . . 1 . . 220 . A 13 PRO C . 30880 1 105 . 1 . 1 13 13 PRO CA C 13 62.534 0.057 . 1 . . 388 . A 13 PRO CA . 30880 1 106 . 1 . 1 13 13 PRO CB C 13 32.276 0.103 . 1 . . 582 . A 13 PRO CB . 30880 1 107 . 1 . 1 13 13 PRO CG C 13 27.029 0.024 . 1 . . 1347 . A 13 PRO CG . 30880 1 108 . 1 . 1 14 14 ARG H H 1 8.529 0.026 . 1 . . 386 . A 14 ARG H . 30880 1 109 . 1 . 1 14 14 ARG HA H 1 4.453 0.003 . 1 . . 900 . A 14 ARG HA . 30880 1 110 . 1 . 1 14 14 ARG HB2 H 1 1.819 0.013 . 2 . . 903 . A 14 ARG HB2 . 30880 1 111 . 1 . 1 14 14 ARG HB3 H 1 1.687 0.006 . 2 . . 904 . A 14 ARG HB3 . 30880 1 112 . 1 . 1 14 14 ARG HG2 H 1 1.806 0.004 . 2 . . 905 . A 14 ARG HG2 . 30880 1 113 . 1 . 1 14 14 ARG HG3 H 1 1.764 . . 2 . . 1190 . A 14 ARG HG3 . 30880 1 114 . 1 . 1 14 14 ARG HD2 H 1 3.293 0.009 . 2 . . 906 . A 14 ARG HD2 . 30880 1 115 . 1 . 1 14 14 ARG HD3 H 1 3.306 . . 2 . . 1191 . A 14 ARG HD3 . 30880 1 116 . 1 . 1 14 14 ARG CA C 13 54.318 0.077 . 1 . . 389 . A 14 ARG CA . 30880 1 117 . 1 . 1 14 14 ARG CB C 13 29.471 0.073 . 1 . . 581 . A 14 ARG CB . 30880 1 118 . 1 . 1 14 14 ARG CG C 13 27.217 0.024 . 1 . . 902 . A 14 ARG CG . 30880 1 119 . 1 . 1 14 14 ARG CD C 13 43.215 0.038 . 1 . . 901 . A 14 ARG CD . 30880 1 120 . 1 . 1 14 14 ARG N N 15 122.360 0.021 . 1 . . 387 . A 14 ARG N . 30880 1 121 . 1 . 1 16 16 PRO HA H 1 4.356 0.009 . 1 . . 1260 . A 16 PRO HA . 30880 1 122 . 1 . 1 16 16 PRO HB2 H 1 1.688 0.006 . 2 . . 1262 . A 16 PRO HB2 . 30880 1 123 . 1 . 1 16 16 PRO HB3 H 1 1.930 0.006 . 2 . . 1263 . A 16 PRO HB3 . 30880 1 124 . 1 . 1 16 16 PRO HG2 H 1 1.751 0.002 . 2 . . 1265 . A 16 PRO HG2 . 30880 1 125 . 1 . 1 16 16 PRO HG3 H 1 1.602 0.001 . 2 . . 1266 . A 16 PRO HG3 . 30880 1 126 . 1 . 1 16 16 PRO HD2 H 1 2.205 0.007 . 2 . . 1268 . A 16 PRO HD2 . 30880 1 127 . 1 . 1 16 16 PRO HD3 H 1 2.713 0.002 . 2 . . 1269 . A 16 PRO HD3 . 30880 1 128 . 1 . 1 16 16 PRO CA C 13 61.823 0.04 . 1 . . 1259 . A 16 PRO CA . 30880 1 129 . 1 . 1 16 16 PRO CB C 13 31.153 0.06 . 1 . . 1261 . A 16 PRO CB . 30880 1 130 . 1 . 1 16 16 PRO CG C 13 27.126 0.031 . 1 . . 1264 . A 16 PRO CG . 30880 1 131 . 1 . 1 16 16 PRO CD C 13 49.123 0.039 . 1 . . 1267 . A 16 PRO CD . 30880 1 132 . 1 . 1 17 17 ARG H H 1 8.260 0.003 . 1 . . 85 . A 17 ARG H . 30880 1 133 . 1 . 1 17 17 ARG HA H 1 3.934 0.017 . 1 . . 1043 . A 17 ARG HA . 30880 1 134 . 1 . 1 17 17 ARG HB2 H 1 1.795 0.001 . 2 . . 1052 . A 17 ARG HB2 . 30880 1 135 . 1 . 1 17 17 ARG HB3 H 1 1.706 0.012 . 2 . . 1053 . A 17 ARG HB3 . 30880 1 136 . 1 . 1 17 17 ARG HG2 H 1 1.568 0.009 . 2 . . 1054 . A 17 ARG HG2 . 30880 1 137 . 1 . 1 17 17 ARG HG3 H 1 1.700 0.0 . 2 . . 1055 . A 17 ARG HG3 . 30880 1 138 . 1 . 1 17 17 ARG HD2 H 1 3.215 0.01 . 2 . . 1046 . A 17 ARG HD2 . 30880 1 139 . 1 . 1 17 17 ARG HD3 H 1 3.237 . . 2 . . 1192 . A 17 ARG HD3 . 30880 1 140 . 1 . 1 17 17 ARG C C 13 176.869 . . 1 . . 638 . A 17 ARG C . 30880 1 141 . 1 . 1 17 17 ARG CA C 13 57.819 0.075 . 1 . . 583 . A 17 ARG CA . 30880 1 142 . 1 . 1 17 17 ARG CB C 13 29.688 0.075 . 1 . . 584 . A 17 ARG CB . 30880 1 143 . 1 . 1 17 17 ARG CG C 13 26.959 0.055 . 1 . . 1044 . A 17 ARG CG . 30880 1 144 . 1 . 1 17 17 ARG CD C 13 43.238 0.012 . 1 . . 1045 . A 17 ARG CD . 30880 1 145 . 1 . 1 17 17 ARG N N 15 123.288 0.064 . 1 . . 86 . A 17 ARG N . 30880 1 146 . 1 . 1 18 18 GLY H H 1 8.561 0.006 . 1 . . 196 . A 18 GLY H . 30880 1 147 . 1 . 1 18 18 GLY HA2 H 1 4.292 0.014 . 2 . . 891 . A 18 GLY HA2 . 30880 1 148 . 1 . 1 18 18 GLY HA3 H 1 3.623 0.009 . 2 . . 892 . A 18 GLY HA3 . 30880 1 149 . 1 . 1 18 18 GLY C C 13 173.432 . . 1 . . 270 . A 18 GLY C . 30880 1 150 . 1 . 1 18 18 GLY CA C 13 44.811 0.101 . 1 . . 294 . A 18 GLY CA . 30880 1 151 . 1 . 1 18 18 GLY N N 15 111.913 0.125 . 1 . . 197 . A 18 GLY N . 30880 1 152 . 1 . 1 19 19 LEU H H 1 7.548 0.005 . 1 . . 499 . A 19 LEU H . 30880 1 153 . 1 . 1 19 19 LEU HA H 1 4.675 0.01 . 1 . . 540 . A 19 LEU HA . 30880 1 154 . 1 . 1 19 19 LEU HB2 H 1 1.941 0.004 . 2 . . 541 . A 19 LEU HB2 . 30880 1 155 . 1 . 1 19 19 LEU HB3 H 1 1.115 0.013 . 2 . . 1107 . A 19 LEU HB3 . 30880 1 156 . 1 . 1 19 19 LEU HG H 1 2.136 0.007 . 1 . . 689 . A 19 LEU HG . 30880 1 157 . 1 . 1 19 19 LEU HD11 H 1 1.145 0.007 . 2 . . 542 . A 19 LEU HD11 . 30880 1 158 . 1 . 1 19 19 LEU HD12 H 1 1.145 0.007 . 2 . . 542 . A 19 LEU HD12 . 30880 1 159 . 1 . 1 19 19 LEU HD13 H 1 1.145 0.007 . 2 . . 542 . A 19 LEU HD13 . 30880 1 160 . 1 . 1 19 19 LEU HD21 H 1 1.242 0.005 . 2 . . 690 . A 19 LEU HD21 . 30880 1 161 . 1 . 1 19 19 LEU HD22 H 1 1.242 0.005 . 2 . . 690 . A 19 LEU HD22 . 30880 1 162 . 1 . 1 19 19 LEU HD23 H 1 1.242 0.005 . 2 . . 690 . A 19 LEU HD23 . 30880 1 163 . 1 . 1 19 19 LEU C C 13 174.929 . . 1 . . 643 . A 19 LEU C . 30880 1 164 . 1 . 1 19 19 LEU CA C 13 52.720 0.053 . 1 . . 296 . A 19 LEU CA . 30880 1 165 . 1 . 1 19 19 LEU CB C 13 44.432 0.051 . 1 . . 493 . A 19 LEU CB . 30880 1 166 . 1 . 1 19 19 LEU CG C 13 26.688 0.078 . 1 . . 688 . A 19 LEU CG . 30880 1 167 . 1 . 1 19 19 LEU CD1 C 13 28.387 0.05 . 2 . . 687 . A 19 LEU CD1 . 30880 1 168 . 1 . 1 19 19 LEU CD2 C 13 24.185 0.076 . 2 . . 1109 . A 19 LEU CD2 . 30880 1 169 . 1 . 1 19 19 LEU N N 15 121.612 0.019 . 1 . . 121 . A 19 LEU N . 30880 1 170 . 1 . 1 20 20 ALA H H 1 9.049 0.008 . 1 . . 198 . A 20 ALA H . 30880 1 171 . 1 . 1 20 20 ALA HA H 1 4.296 0.009 . 1 . . 918 . A 20 ALA HA . 30880 1 172 . 1 . 1 20 20 ALA HB1 H 1 1.457 0.011 . 1 . . 919 . A 20 ALA HB1 . 30880 1 173 . 1 . 1 20 20 ALA HB2 H 1 1.457 0.011 . 1 . . 919 . A 20 ALA HB2 . 30880 1 174 . 1 . 1 20 20 ALA HB3 H 1 1.457 0.011 . 1 . . 919 . A 20 ALA HB3 . 30880 1 175 . 1 . 1 20 20 ALA C C 13 179.031 . . 1 . . 238 . A 20 ALA C . 30880 1 176 . 1 . 1 20 20 ALA CA C 13 52.811 0.069 . 1 . . 480 . A 20 ALA CA . 30880 1 177 . 1 . 1 20 20 ALA CB C 13 19.495 0.085 . 1 . . 492 . A 20 ALA CB . 30880 1 178 . 1 . 1 20 20 ALA N N 15 129.608 0.016 . 1 . . 199 . A 20 ALA N . 30880 1 179 . 1 . 1 21 21 ALA H H 1 8.975 0.027 . 1 . . 5 . A 21 ALA H . 30880 1 180 . 1 . 1 21 21 ALA HA H 1 4.801 0.003 . 1 . . 497 . A 21 ALA HA . 30880 1 181 . 1 . 1 21 21 ALA HB1 H 1 1.680 0.009 . 1 . . 524 . A 21 ALA HB1 . 30880 1 182 . 1 . 1 21 21 ALA HB2 H 1 1.680 0.009 . 1 . . 524 . A 21 ALA HB2 . 30880 1 183 . 1 . 1 21 21 ALA HB3 H 1 1.680 0.009 . 1 . . 524 . A 21 ALA HB3 . 30880 1 184 . 1 . 1 21 21 ALA CA C 13 56.030 0.104 . 1 . . 302 . A 21 ALA CA . 30880 1 185 . 1 . 1 21 21 ALA CB C 13 18.379 0.046 . 1 . . 491 . A 21 ALA CB . 30880 1 186 . 1 . 1 21 21 ALA N N 15 125.117 0.034 . 1 . . 6 . A 21 ALA N . 30880 1 187 . 1 . 1 22 22 HIS HA H 1 4.401 0.005 . 1 . . 1153 . A 22 HIS HA . 30880 1 188 . 1 . 1 22 22 HIS HB2 H 1 3.243 0.009 . 2 . . 1154 . A 22 HIS HB2 . 30880 1 189 . 1 . 1 22 22 HIS HB3 H 1 3.074 0.015 . 2 . . 1155 . A 22 HIS HB3 . 30880 1 190 . 1 . 1 22 22 HIS HD2 H 1 6.764 0.006 . 1 . . 1303 . A 22 HIS HD2 . 30880 1 191 . 1 . 1 22 22 HIS HE1 H 1 7.914 . . 1 . . 1309 . A 22 HIS HE1 . 30880 1 192 . 1 . 1 22 22 HIS C C 13 177.886 . . 1 . . 620 . A 22 HIS C . 30880 1 193 . 1 . 1 22 22 HIS CA C 13 59.116 0.083 . 1 . . 346 . A 22 HIS CA . 30880 1 194 . 1 . 1 22 22 HIS CB C 13 28.856 0.071 . 1 . . 1152 . A 22 HIS CB . 30880 1 195 . 1 . 1 22 22 HIS CD2 C 13 119.006 0.005 . 1 . . 1304 . A 22 HIS CD2 . 30880 1 196 . 1 . 1 22 22 HIS CE1 C 13 139.010 . . 1 . . 1310 . A 22 HIS CE1 . 30880 1 197 . 1 . 1 23 23 HIS H H 1 6.617 0.018 . 1 . . 152 . A 23 HIS H . 30880 1 198 . 1 . 1 23 23 HIS HA H 1 5.012 0.004 . 1 . . 808 . A 23 HIS HA . 30880 1 199 . 1 . 1 23 23 HIS HB2 H 1 3.298 0.006 . 2 . . 810 . A 23 HIS HB2 . 30880 1 200 . 1 . 1 23 23 HIS HB3 H 1 3.362 0.005 . 2 . . 811 . A 23 HIS HB3 . 30880 1 201 . 1 . 1 23 23 HIS HD2 H 1 7.072 0.009 . 1 . . 1300 . A 23 HIS HD2 . 30880 1 202 . 1 . 1 23 23 HIS HE1 H 1 7.706 0.002 . 1 . . 1308 . A 23 HIS HE1 . 30880 1 203 . 1 . 1 23 23 HIS C C 13 178.936 . . 1 . . 279 . A 23 HIS C . 30880 1 204 . 1 . 1 23 23 HIS CA C 13 58.025 0.072 . 1 . . 347 . A 23 HIS CA . 30880 1 205 . 1 . 1 23 23 HIS CB C 13 31.895 0.027 . 1 . . 403 . A 23 HIS CB . 30880 1 206 . 1 . 1 23 23 HIS CD2 C 13 117.514 0.043 . 1 . . 1299 . A 23 HIS CD2 . 30880 1 207 . 1 . 1 23 23 HIS CE1 C 13 138.484 0.006 . 1 . . 1307 . A 23 HIS CE1 . 30880 1 208 . 1 . 1 23 23 HIS N N 15 117.985 0.072 . 1 . . 153 . A 23 HIS N . 30880 1 209 . 1 . 1 24 24 TRP H H 1 8.318 0.005 . 1 . . 59 . A 24 TRP H . 30880 1 210 . 1 . 1 24 24 TRP HA H 1 5.140 0.005 . 1 . . 985 . A 24 TRP HA . 30880 1 211 . 1 . 1 24 24 TRP HB2 H 1 3.691 0.011 . 2 . . 986 . A 24 TRP HB2 . 30880 1 212 . 1 . 1 24 24 TRP HB3 H 1 3.271 0.01 . 2 . . 987 . A 24 TRP HB3 . 30880 1 213 . 1 . 1 24 24 TRP HD1 H 1 7.298 0.009 . 1 . . 1285 . A 24 TRP HD1 . 30880 1 214 . 1 . 1 24 24 TRP HE1 H 1 10.154 0.001 . 1 . . 1302 . A 24 TRP HE1 . 30880 1 215 . 1 . 1 24 24 TRP HE3 H 1 7.365 0.009 . 1 . . 1116 . A 24 TRP HE3 . 30880 1 216 . 1 . 1 24 24 TRP HZ2 H 1 6.746 0.003 . 1 . . 1113 . A 24 TRP HZ2 . 30880 1 217 . 1 . 1 24 24 TRP HZ3 H 1 7.414 0.016 . 1 . . 1115 . A 24 TRP HZ3 . 30880 1 218 . 1 . 1 24 24 TRP HH2 H 1 6.804 0.002 . 1 . . 1110 . A 24 TRP HH2 . 30880 1 219 . 1 . 1 24 24 TRP C C 13 177.099 . . 1 . . 628 . A 24 TRP C . 30880 1 220 . 1 . 1 24 24 TRP CA C 13 59.390 0.067 . 1 . . 364 . A 24 TRP CA . 30880 1 221 . 1 . 1 24 24 TRP CB C 13 31.246 0.05 . 1 . . 586 . A 24 TRP CB . 30880 1 222 . 1 . 1 24 24 TRP CD1 C 13 127.769 0.023 . 1 . . 1284 . A 24 TRP CD1 . 30880 1 223 . 1 . 1 24 24 TRP CE3 C 13 121.258 0.103 . 1 . . 1117 . A 24 TRP CE3 . 30880 1 224 . 1 . 1 24 24 TRP CZ2 C 13 113.434 . . 1 . . 1112 . A 24 TRP CZ2 . 30880 1 225 . 1 . 1 24 24 TRP CZ3 C 13 122.840 0.048 . 1 . . 1114 . A 24 TRP CZ3 . 30880 1 226 . 1 . 1 24 24 TRP CH2 C 13 124.536 0.012 . 1 . . 1111 . A 24 TRP CH2 . 30880 1 227 . 1 . 1 24 24 TRP N N 15 120.538 0.03 . 1 . . 60 . A 24 TRP N . 30880 1 228 . 1 . 1 24 24 TRP NE1 N 15 130.196 0.004 . 1 . . 1301 . A 24 TRP NE1 . 30880 1 229 . 1 . 1 25 25 LEU H H 1 8.433 0.007 . 1 . . 576 . A 25 LEU H . 30880 1 230 . 1 . 1 25 25 LEU HA H 1 3.938 0.01 . 1 . . 851 . A 25 LEU HA . 30880 1 231 . 1 . 1 25 25 LEU HB2 H 1 1.910 0.008 . 2 . . 858 . A 25 LEU HB2 . 30880 1 232 . 1 . 1 25 25 LEU HB3 H 1 1.738 0.002 . 2 . . 859 . A 25 LEU HB3 . 30880 1 233 . 1 . 1 25 25 LEU HG H 1 1.938 0.001 . 1 . . 853 . A 25 LEU HG . 30880 1 234 . 1 . 1 25 25 LEU HD11 H 1 1.045 0.013 . 2 . . 855 . A 25 LEU HD11 . 30880 1 235 . 1 . 1 25 25 LEU HD12 H 1 1.045 0.013 . 2 . . 855 . A 25 LEU HD12 . 30880 1 236 . 1 . 1 25 25 LEU HD13 H 1 1.045 0.013 . 2 . . 855 . A 25 LEU HD13 . 30880 1 237 . 1 . 1 25 25 LEU HD21 H 1 1.005 0.003 . 2 . . 857 . A 25 LEU HD21 . 30880 1 238 . 1 . 1 25 25 LEU HD22 H 1 1.005 0.003 . 2 . . 857 . A 25 LEU HD22 . 30880 1 239 . 1 . 1 25 25 LEU HD23 H 1 1.005 0.003 . 2 . . 857 . A 25 LEU HD23 . 30880 1 240 . 1 . 1 25 25 LEU C C 13 178.938 . . 1 . . 592 . A 25 LEU C . 30880 1 241 . 1 . 1 25 25 LEU CA C 13 58.332 0.075 . 1 . . 325 . A 25 LEU CA . 30880 1 242 . 1 . 1 25 25 LEU CB C 13 41.367 0.068 . 1 . . 585 . A 25 LEU CB . 30880 1 243 . 1 . 1 25 25 LEU CG C 13 27.207 0.018 . 1 . . 852 . A 25 LEU CG . 30880 1 244 . 1 . 1 25 25 LEU CD1 C 13 24.888 0.067 . 2 . . 854 . A 25 LEU CD1 . 30880 1 245 . 1 . 1 25 25 LEU CD2 C 13 23.901 0.068 . 2 . . 856 . A 25 LEU CD2 . 30880 1 246 . 1 . 1 25 25 LEU N N 15 116.637 0.061 . 1 . . 577 . A 25 LEU N . 30880 1 247 . 1 . 1 26 26 ASN H H 1 7.444 0.013 . 1 . . 142 . A 26 ASN H . 30880 1 248 . 1 . 1 26 26 ASN HA H 1 4.593 0.01 . 1 . . 848 . A 26 ASN HA . 30880 1 249 . 1 . 1 26 26 ASN HB2 H 1 3.127 0.002 . 2 . . 849 . A 26 ASN HB2 . 30880 1 250 . 1 . 1 26 26 ASN HB3 H 1 2.608 0.009 . 2 . . 850 . A 26 ASN HB3 . 30880 1 251 . 1 . 1 26 26 ASN HD21 H 1 7.835 0.008 . 1 . . 1318 . A 26 ASN HD21 . 30880 1 252 . 1 . 1 26 26 ASN HD22 H 1 7.053 0.002 . 1 . . 1319 . A 26 ASN HD22 . 30880 1 253 . 1 . 1 26 26 ASN C C 13 178.605 . . 1 . . 614 . A 26 ASN C . 30880 1 254 . 1 . 1 26 26 ASN CA C 13 56.315 0.075 . 1 . . 326 . A 26 ASN CA . 30880 1 255 . 1 . 1 26 26 ASN CB C 13 37.686 0.089 . 1 . . 405 . A 26 ASN CB . 30880 1 256 . 1 . 1 26 26 ASN N N 15 116.562 0.062 . 1 . . 143 . A 26 ASN N . 30880 1 257 . 1 . 1 26 26 ASN ND2 N 15 112.696 0.027 . 1 . . 173 . A 26 ASN ND2 . 30880 1 258 . 1 . 1 27 27 PHE H H 1 7.919 0.012 . 1 . . 146 . A 27 PHE H . 30880 1 259 . 1 . 1 27 27 PHE HA H 1 4.005 0.007 . 1 . . 754 . A 27 PHE HA . 30880 1 260 . 1 . 1 27 27 PHE HB2 H 1 2.735 0.015 . 2 . . 755 . A 27 PHE HB2 . 30880 1 261 . 1 . 1 27 27 PHE HB3 H 1 3.278 0.006 . 2 . . 756 . A 27 PHE HB3 . 30880 1 262 . 1 . 1 27 27 PHE HD1 H 1 7.485 . . 1 . . 1193 . A 27 PHE HD1 . 30880 1 263 . 1 . 1 27 27 PHE HD2 H 1 7.481 0.005 . 1 . . 1089 . A 27 PHE HD2 . 30880 1 264 . 1 . 1 27 27 PHE HE1 H 1 7.261 0.004 . 1 . . 1091 . A 27 PHE HE1 . 30880 1 265 . 1 . 1 27 27 PHE HE2 H 1 7.261 0.004 . 1 . . 1091 . A 27 PHE HE2 . 30880 1 266 . 1 . 1 27 27 PHE HZ H 1 7.250 0.009 . 1 . . 1093 . A 27 PHE HZ . 30880 1 267 . 1 . 1 27 27 PHE C C 13 177.589 . . 1 . . 645 . A 27 PHE C . 30880 1 268 . 1 . 1 27 27 PHE CA C 13 62.853 0.07 . 1 . . 351 . A 27 PHE CA . 30880 1 269 . 1 . 1 27 27 PHE CB C 13 39.244 0.08 . 1 . . 407 . A 27 PHE CB . 30880 1 270 . 1 . 1 27 27 PHE CD1 C 13 132.338 . . 1 . . 1194 . A 27 PHE CD1 . 30880 1 271 . 1 . 1 27 27 PHE CD2 C 13 132.338 0.067 . 1 . . 1088 . A 27 PHE CD2 . 30880 1 272 . 1 . 1 27 27 PHE CE1 C 13 132.36 0.050 . 1 . . 2003 . A 27 PHE CE1 . 30880 1 273 . 1 . 1 27 27 PHE CZ C 13 129.692 0.067 . 1 . . 1092 . A 27 PHE CZ . 30880 1 274 . 1 . 1 27 27 PHE N N 15 119.005 0.037 . 1 . . 147 . A 27 PHE N . 30880 1 275 . 1 . 1 28 28 LEU H H 1 8.139 0.005 . 1 . . 63 . A 28 LEU H . 30880 1 276 . 1 . 1 28 28 LEU HA H 1 3.682 0.005 . 1 . . 920 . A 28 LEU HA . 30880 1 277 . 1 . 1 28 28 LEU HB2 H 1 1.251 0.018 . 2 . . 921 . A 28 LEU HB2 . 30880 1 278 . 1 . 1 28 28 LEU HB3 H 1 1.675 0.003 . 2 . . 922 . A 28 LEU HB3 . 30880 1 279 . 1 . 1 28 28 LEU HG H 1 0.789 0.008 . 1 . . 924 . A 28 LEU HG . 30880 1 280 . 1 . 1 28 28 LEU HD11 H 1 0.570 0.004 . 2 . . 926 . A 28 LEU HD11 . 30880 1 281 . 1 . 1 28 28 LEU HD12 H 1 0.570 0.004 . 2 . . 926 . A 28 LEU HD12 . 30880 1 282 . 1 . 1 28 28 LEU HD13 H 1 0.570 0.004 . 2 . . 926 . A 28 LEU HD13 . 30880 1 283 . 1 . 1 28 28 LEU HD21 H 1 0.334 0.002 . 2 . . 928 . A 28 LEU HD21 . 30880 1 284 . 1 . 1 28 28 LEU HD22 H 1 0.334 0.002 . 2 . . 928 . A 28 LEU HD22 . 30880 1 285 . 1 . 1 28 28 LEU HD23 H 1 0.334 0.002 . 2 . . 928 . A 28 LEU HD23 . 30880 1 286 . 1 . 1 28 28 LEU C C 13 177.970 . . 1 . . 597 . A 28 LEU C . 30880 1 287 . 1 . 1 28 28 LEU CA C 13 58.059 0.107 . 1 . . 494 . A 28 LEU CA . 30880 1 288 . 1 . 1 28 28 LEU CB C 13 41.643 0.087 . 1 . . 507 . A 28 LEU CB . 30880 1 289 . 1 . 1 28 28 LEU CG C 13 25.880 0.126 . 1 . . 923 . A 28 LEU CG . 30880 1 290 . 1 . 1 28 28 LEU CD1 C 13 25.787 0.048 . 2 . . 925 . A 28 LEU CD1 . 30880 1 291 . 1 . 1 28 28 LEU CD2 C 13 23.024 0.09 . 2 . . 927 . A 28 LEU CD2 . 30880 1 292 . 1 . 1 28 28 LEU N N 15 118.446 0.061 . 1 . . 64 . A 28 LEU N . 30880 1 293 . 1 . 1 29 29 GLN H H 1 8.115 0.005 . 1 . . 49 . A 29 GLN H . 30880 1 294 . 1 . 1 29 29 GLN HA H 1 4.042 0.01 . 1 . . 877 . A 29 GLN HA . 30880 1 295 . 1 . 1 29 29 GLN HB2 H 1 2.224 0.001 . 2 . . 878 . A 29 GLN HB2 . 30880 1 296 . 1 . 1 29 29 GLN HB3 H 1 2.125 0.003 . 2 . . 879 . A 29 GLN HB3 . 30880 1 297 . 1 . 1 29 29 GLN HG2 H 1 2.619 0.007 . 2 . . 881 . A 29 GLN HG2 . 30880 1 298 . 1 . 1 29 29 GLN HG3 H 1 2.444 0.009 . 2 . . 882 . A 29 GLN HG3 . 30880 1 299 . 1 . 1 29 29 GLN HE21 H 1 7.366 0.001 . 1 . . 1331 . A 29 GLN HE21 . 30880 1 300 . 1 . 1 29 29 GLN HE22 H 1 6.894 0.002 . 1 . . 1332 . A 29 GLN HE22 . 30880 1 301 . 1 . 1 29 29 GLN C C 13 178.723 . . 1 . . 604 . A 29 GLN C . 30880 1 302 . 1 . 1 29 29 GLN CA C 13 59.138 0.071 . 1 . . 323 . A 29 GLN CA . 30880 1 303 . 1 . 1 29 29 GLN CB C 13 28.466 0.044 . 1 . . 442 . A 29 GLN CB . 30880 1 304 . 1 . 1 29 29 GLN CG C 13 34.278 0.023 . 1 . . 880 . A 29 GLN CG . 30880 1 305 . 1 . 1 29 29 GLN N N 15 115.665 0.029 . 1 . . 50 . A 29 GLN N . 30880 1 306 . 1 . 1 29 29 GLN NE2 N 15 110.840 0.017 . 1 . . 1330 . A 29 GLN NE2 . 30880 1 307 . 1 . 1 30 30 ALA H H 1 7.347 0.01 . 1 . . 132 . A 30 ALA H . 30880 1 308 . 1 . 1 30 30 ALA HA H 1 4.065 0.009 . 1 . . 714 . A 30 ALA HA . 30880 1 309 . 1 . 1 30 30 ALA HB1 H 1 1.392 0.006 . 1 . . 713 . A 30 ALA HB1 . 30880 1 310 . 1 . 1 30 30 ALA HB2 H 1 1.392 0.006 . 1 . . 713 . A 30 ALA HB2 . 30880 1 311 . 1 . 1 30 30 ALA HB3 H 1 1.392 0.006 . 1 . . 713 . A 30 ALA HB3 . 30880 1 312 . 1 . 1 30 30 ALA C C 13 178.901 . . 1 . . 608 . A 30 ALA C . 30880 1 313 . 1 . 1 30 30 ALA CA C 13 54.972 0.122 . 1 . . 352 . A 30 ALA CA . 30880 1 314 . 1 . 1 30 30 ALA CB C 13 18.936 0.039 . 1 . . 440 . A 30 ALA CB . 30880 1 315 . 1 . 1 30 30 ALA N N 15 119.822 0.06 . 1 . . 133 . A 30 ALA N . 30880 1 316 . 1 . 1 31 31 ALA H H 1 8.208 0.006 . 1 . . 204 . A 31 ALA H . 30880 1 317 . 1 . 1 31 31 ALA HA H 1 3.792 0.006 . 1 . . 748 . A 31 ALA HA . 30880 1 318 . 1 . 1 31 31 ALA HB1 H 1 1.201 0.007 . 1 . . 750 . A 31 ALA HB1 . 30880 1 319 . 1 . 1 31 31 ALA HB2 H 1 1.201 0.007 . 1 . . 750 . A 31 ALA HB2 . 30880 1 320 . 1 . 1 31 31 ALA HB3 H 1 1.201 0.007 . 1 . . 750 . A 31 ALA HB3 . 30880 1 321 . 1 . 1 31 31 ALA C C 13 179.262 . . 1 . . 639 . A 31 ALA C . 30880 1 322 . 1 . 1 31 31 ALA CA C 13 54.996 0.074 . 1 . . 441 . A 31 ALA CA . 30880 1 323 . 1 . 1 31 31 ALA CB C 13 18.069 0.075 . 1 . . 749 . A 31 ALA CB . 30880 1 324 . 1 . 1 31 31 ALA N N 15 119.043 0.048 . 1 . . 205 . A 31 ALA N . 30880 1 325 . 1 . 1 32 32 TYR H H 1 8.056 0.013 . 1 . . 168 . A 32 TYR H . 30880 1 326 . 1 . 1 32 32 TYR HA H 1 4.309 0.009 . 1 . . 893 . A 32 TYR HA . 30880 1 327 . 1 . 1 32 32 TYR HB2 H 1 3.421 0.012 . 2 . . 894 . A 32 TYR HB2 . 30880 1 328 . 1 . 1 32 32 TYR HB3 H 1 2.931 0.007 . 2 . . 895 . A 32 TYR HB3 . 30880 1 329 . 1 . 1 32 32 TYR HD1 H 1 7.328 0.003 . 1 . . 1129 . A 32 TYR HD1 . 30880 1 330 . 1 . 1 32 32 TYR HD2 H 1 7.328 0.003 . 1 . . 1129 . A 32 TYR HD2 . 30880 1 331 . 1 . 1 32 32 TYR HE1 H 1 6.839 0.007 . 1 . . 1131 . A 32 TYR HE1 . 30880 1 332 . 1 . 1 32 32 TYR HE2 H 1 6.839 0.007 . 1 . . 1131 . A 32 TYR HE2 . 30880 1 333 . 1 . 1 32 32 TYR C C 13 176.520 . . 1 . . 615 . A 32 TYR C . 30880 1 334 . 1 . 1 32 32 TYR CA C 13 60.680 0.042 . 1 . . 297 . A 32 TYR CA . 30880 1 335 . 1 . 1 32 32 TYR CB C 13 37.400 0.043 . 1 . . 394 . A 32 TYR CB . 30880 1 336 . 1 . 1 32 32 TYR CD1 C 13 132.876 0.125 . 1 . . 1128 . A 32 TYR CD1 . 30880 1 337 . 1 . 1 32 32 TYR CD2 C 13 132.876 0.125 . 1 . . 1128 . A 32 TYR CD2 . 30880 1 338 . 1 . 1 32 32 TYR CE1 C 13 117.763 0.071 . 1 . . 1130 . A 32 TYR CE1 . 30880 1 339 . 1 . 1 32 32 TYR CE2 C 13 117.763 0.071 . 1 . . 1130 . A 32 TYR CE2 . 30880 1 340 . 1 . 1 32 32 TYR N N 15 111.744 0.052 . 1 . . 169 . A 32 TYR N . 30880 1 341 . 1 . 1 33 33 ARG H H 1 7.716 0.011 . 1 . . 136 . A 33 ARG H . 30880 1 342 . 1 . 1 33 33 ARG HA H 1 4.402 0.017 . 1 . . 788 . A 33 ARG HA . 30880 1 343 . 1 . 1 33 33 ARG HB2 H 1 1.821 0.013 . 2 . . 789 . A 33 ARG HB2 . 30880 1 344 . 1 . 1 33 33 ARG HB3 H 1 1.964 0.006 . 2 . . 790 . A 33 ARG HB3 . 30880 1 345 . 1 . 1 33 33 ARG HG2 H 1 1.697 0.004 . 2 . . 792 . A 33 ARG HG2 . 30880 1 346 . 1 . 1 33 33 ARG HG3 H 1 1.747 . . 2 . . 1195 . A 33 ARG HG3 . 30880 1 347 . 1 . 1 33 33 ARG HD2 H 1 3.245 0.015 . 2 . . 794 . A 33 ARG HD2 . 30880 1 348 . 1 . 1 33 33 ARG HD3 H 1 3.190 . . 2 . . 1196 . A 33 ARG HD3 . 30880 1 349 . 1 . 1 33 33 ARG C C 13 177.012 . . 1 . . 272 . A 33 ARG C . 30880 1 350 . 1 . 1 33 33 ARG CA C 13 56.366 0.06 . 1 . . 348 . A 33 ARG CA . 30880 1 351 . 1 . 1 33 33 ARG CB C 13 30.685 0.098 . 1 . . 457 . A 33 ARG CB . 30880 1 352 . 1 . 1 33 33 ARG CG C 13 27.151 0.063 . 1 . . 791 . A 33 ARG CG . 30880 1 353 . 1 . 1 33 33 ARG CD C 13 43.319 0.065 . 1 . . 793 . A 33 ARG CD . 30880 1 354 . 1 . 1 33 33 ARG N N 15 118.495 0.075 . 1 . . 137 . A 33 ARG N . 30880 1 355 . 1 . 1 34 34 LEU H H 1 7.382 0.011 . 1 . . 122 . A 34 LEU H . 30880 1 356 . 1 . 1 34 34 LEU HA H 1 4.010 0.008 . 1 . . 546 . A 34 LEU HA . 30880 1 357 . 1 . 1 34 34 LEU HB2 H 1 1.715 0.009 . 2 . . 547 . A 34 LEU HB2 . 30880 1 358 . 1 . 1 34 34 LEU HB3 H 1 1.420 0.012 . 2 . . 696 . A 34 LEU HB3 . 30880 1 359 . 1 . 1 34 34 LEU HG H 1 1.871 0.006 . 1 . . 698 . A 34 LEU HG . 30880 1 360 . 1 . 1 34 34 LEU HD11 H 1 0.667 0.01 . 2 . . 549 . A 34 LEU HD11 . 30880 1 361 . 1 . 1 34 34 LEU HD12 H 1 0.667 0.01 . 2 . . 549 . A 34 LEU HD12 . 30880 1 362 . 1 . 1 34 34 LEU HD13 H 1 0.667 0.01 . 2 . . 549 . A 34 LEU HD13 . 30880 1 363 . 1 . 1 34 34 LEU HD21 H 1 0.769 0.01 . 2 . . 700 . A 34 LEU HD21 . 30880 1 364 . 1 . 1 34 34 LEU HD22 H 1 0.769 0.01 . 2 . . 700 . A 34 LEU HD22 . 30880 1 365 . 1 . 1 34 34 LEU HD23 H 1 0.769 0.01 . 2 . . 700 . A 34 LEU HD23 . 30880 1 366 . 1 . 1 34 34 LEU C C 13 175.163 . . 1 . . 605 . A 34 LEU C . 30880 1 367 . 1 . 1 34 34 LEU CA C 13 55.991 0.061 . 1 . . 458 . A 34 LEU CA . 30880 1 368 . 1 . 1 34 34 LEU CB C 13 42.855 0.046 . 1 . . 459 . A 34 LEU CB . 30880 1 369 . 1 . 1 34 34 LEU CG C 13 26.483 0.071 . 1 . . 697 . A 34 LEU CG . 30880 1 370 . 1 . 1 34 34 LEU CD1 C 13 24.74 0.065 . 1 . . 2009 . A 34 LEU CD1 . 30880 1 371 . 1 . 1 34 34 LEU CD2 C 13 23.006 0.052 . 1 . . 1248 . A 34 LEU CD2 . 30880 1 372 . 1 . 1 34 34 LEU N N 15 121.231 0.072 . 1 . . 123 . A 34 LEU N . 30880 1 373 . 1 . 1 35 35 GLU H H 1 8.105 0.006 . 1 . . 61 . A 35 GLU H . 30880 1 374 . 1 . 1 35 35 GLU HA H 1 4.461 0.009 . 1 . . 578 . A 35 GLU HA . 30880 1 375 . 1 . 1 35 35 GLU HB2 H 1 1.932 0.01 . 2 . . 580 . A 35 GLU HB2 . 30880 1 376 . 1 . 1 35 35 GLU HB3 H 1 1.883 0.0 . 2 . . 716 . A 35 GLU HB3 . 30880 1 377 . 1 . 1 35 35 GLU HG2 H 1 2.204 0.007 . 2 . . 579 . A 35 GLU HG2 . 30880 1 378 . 1 . 1 35 35 GLU HG3 H 1 2.228 . . 2 . . 1197 . A 35 GLU HG3 . 30880 1 379 . 1 . 1 35 35 GLU CA C 13 53.117 0.058 . 1 . . 354 . A 35 GLU CA . 30880 1 380 . 1 . 1 35 35 GLU CB C 13 32.592 0.046 . 1 . . 460 . A 35 GLU CB . 30880 1 381 . 1 . 1 35 35 GLU CG C 13 35.892 0.041 . 1 . . 715 . A 35 GLU CG . 30880 1 382 . 1 . 1 35 35 GLU N N 15 119.423 0.071 . 1 . . 62 . A 35 GLU N . 30880 1 383 . 1 . 1 36 36 PRO HA H 1 4.541 0.005 . 1 . . 1161 . A 36 PRO HA . 30880 1 384 . 1 . 1 36 36 PRO HB2 H 1 2.348 0.003 . 2 . . 1162 . A 36 PRO HB2 . 30880 1 385 . 1 . 1 36 36 PRO HB3 H 1 2.003 0.0 . 2 . . 1163 . A 36 PRO HB3 . 30880 1 386 . 1 . 1 36 36 PRO HG2 H 1 1.869 . . 2 . . 1165 . A 36 PRO HG2 . 30880 1 387 . 1 . 1 36 36 PRO HG3 H 1 1.921 . . 2 . . 1198 . A 36 PRO HG3 . 30880 1 388 . 1 . 1 36 36 PRO HD2 H 1 3.835 . . 2 . . 1167 . A 36 PRO HD2 . 30880 1 389 . 1 . 1 36 36 PRO HD3 H 1 3.835 . . 2 . . 1199 . A 36 PRO HD3 . 30880 1 390 . 1 . 1 36 36 PRO C C 13 177.135 . . 1 . . 642 . A 36 PRO C . 30880 1 391 . 1 . 1 36 36 PRO CA C 13 63.625 0.043 . 1 . . 376 . A 36 PRO CA . 30880 1 392 . 1 . 1 36 36 PRO CB C 13 32.441 0.058 . 1 . . 1050 . A 36 PRO CB . 30880 1 393 . 1 . 1 36 36 PRO CG C 13 27.084 0.05 . 1 . . 1164 . A 36 PRO CG . 30880 1 394 . 1 . 1 36 36 PRO CD C 13 50.918 0.1 . 1 . . 1166 . A 36 PRO CD . 30880 1 395 . 1 . 1 37 37 GLY H H 1 8.461 0.006 . 1 . . 15 . A 37 GLY H . 30880 1 396 . 1 . 1 37 37 GLY HA2 H 1 4.330 0.004 . 2 . . 1159 . A 37 GLY HA2 . 30880 1 397 . 1 . 1 37 37 GLY HA3 H 1 4.048 0.016 . 2 . . 1160 . A 37 GLY HA3 . 30880 1 398 . 1 . 1 37 37 GLY CA C 13 43.946 0.1 . 1 . . 377 . A 37 GLY CA . 30880 1 399 . 1 . 1 37 37 GLY N N 15 106.700 0.04 . 1 . . 16 . A 37 GLY N . 30880 1 400 . 1 . 1 38 38 PRO HA H 1 4.422 0.007 . 1 . . 1042 . A 38 PRO HA . 30880 1 401 . 1 . 1 38 38 PRO HB2 H 1 1.420 0.014 . 2 . . 1035 . A 38 PRO HB2 . 30880 1 402 . 1 . 1 38 38 PRO HB3 H 1 1.160 0.019 . 2 . . 1036 . A 38 PRO HB3 . 30880 1 403 . 1 . 1 38 38 PRO HG2 H 1 0.663 0.001 . 1 . . 1280 . A 38 PRO HG2 . 30880 1 404 . 1 . 1 38 38 PRO C C 13 176.353 . . 1 . . 647 . A 38 PRO C . 30880 1 405 . 1 . 1 38 38 PRO CA C 13 61.912 0.081 . 1 . . 646 . A 38 PRO CA . 30880 1 406 . 1 . 1 38 38 PRO CB C 13 31.225 0.035 . 1 . . 569 . A 38 PRO CB . 30880 1 407 . 1 . 1 38 38 PRO CG C 13 27.000 . . 1 . . 1279 . A 38 PRO CG . 30880 1 408 . 1 . 1 39 39 SER H H 1 9.721 0.008 . 1 . . 1 . A 39 SER H . 30880 1 409 . 1 . 1 39 39 SER HA H 1 4.958 0.008 . 1 . . 929 . A 39 SER HA . 30880 1 410 . 1 . 1 39 39 SER HB2 H 1 4.514 0.003 . 2 . . 930 . A 39 SER HB2 . 30880 1 411 . 1 . 1 39 39 SER HB3 H 1 4.079 0.01 . 2 . . 931 . A 39 SER HB3 . 30880 1 412 . 1 . 1 39 39 SER C C 13 175.641 . . 1 . . 648 . A 39 SER C . 30880 1 413 . 1 . 1 39 39 SER CA C 13 55.858 0.094 . 1 . . 435 . A 39 SER CA . 30880 1 414 . 1 . 1 39 39 SER CB C 13 67.277 0.12 . 1 . . 481 . A 39 SER CB . 30880 1 415 . 1 . 1 39 39 SER N N 15 120.141 0.054 . 1 . . 2 . A 39 SER N . 30880 1 416 . 1 . 1 40 40 SER H H 1 9.178 0.014 . 1 . . 3 . A 40 SER H . 30880 1 417 . 1 . 1 40 40 SER HA H 1 4.536 0.003 . 1 . . 1275 . A 40 SER HA . 30880 1 418 . 1 . 1 40 40 SER HB2 H 1 4.134 0.003 . 1 . . 1276 . A 40 SER HB2 . 30880 1 419 . 1 . 1 40 40 SER C C 13 177.325 . . 1 . . 256 . A 40 SER C . 30880 1 420 . 1 . 1 40 40 SER CA C 13 62.400 0.071 . 1 . . 339 . A 40 SER CA . 30880 1 421 . 1 . 1 40 40 SER CB C 13 62.491 0.036 . 1 . . 1277 . A 40 SER CB . 30880 1 422 . 1 . 1 40 40 SER N N 15 115.857 0.032 . 1 . . 4 . A 40 SER N . 30880 1 423 . 1 . 1 41 41 TYR H H 1 8.259 0.005 . 1 . . 567 . A 41 TYR H . 30880 1 424 . 1 . 1 41 41 TYR HA H 1 4.526 0.012 . 1 . . 570 . A 41 TYR HA . 30880 1 425 . 1 . 1 41 41 TYR HB2 H 1 2.856 0.013 . 2 . . 571 . A 41 TYR HB2 . 30880 1 426 . 1 . 1 41 41 TYR HB3 H 1 3.297 0.007 . 2 . . 994 . A 41 TYR HB3 . 30880 1 427 . 1 . 1 41 41 TYR HD1 H 1 7.149 0.003 . 1 . . 1132 . A 41 TYR HD1 . 30880 1 428 . 1 . 1 41 41 TYR HD2 H 1 7.149 0.003 . 1 . . 1132 . A 41 TYR HD2 . 30880 1 429 . 1 . 1 41 41 TYR HE1 H 1 6.738 0.005 . 1 . . 1135 . A 41 TYR HE1 . 30880 1 430 . 1 . 1 41 41 TYR HE2 H 1 6.738 0.005 . 1 . . 1135 . A 41 TYR HE2 . 30880 1 431 . 1 . 1 41 41 TYR C C 13 177.290 . . 1 . . 600 . A 41 TYR C . 30880 1 432 . 1 . 1 41 41 TYR CA C 13 61.383 0.064 . 1 . . 572 . A 41 TYR CA . 30880 1 433 . 1 . 1 41 41 TYR CB C 13 38.552 0.084 . 1 . . 573 . A 41 TYR CB . 30880 1 434 . 1 . 1 41 41 TYR CD1 C 13 133.195 0.039 . 1 . . 1133 . A 41 TYR CD1 . 30880 1 435 . 1 . 1 41 41 TYR CD2 C 13 133.195 0.039 . 1 . . 1133 . A 41 TYR CD2 . 30880 1 436 . 1 . 1 41 41 TYR CE1 C 13 118.123 0.072 . 1 . . 1134 . A 41 TYR CE1 . 30880 1 437 . 1 . 1 41 41 TYR CE2 C 13 118.123 0.072 . 1 . . 1134 . A 41 TYR CE2 . 30880 1 438 . 1 . 1 41 41 TYR N N 15 122.902 0.052 . 1 . . 568 . A 41 TYR N . 30880 1 439 . 1 . 1 42 42 ASP H H 1 7.801 0.009 . 1 . . 78 . A 42 ASP H . 30880 1 440 . 1 . 1 42 42 ASP HA H 1 4.301 0.007 . 1 . . 758 . A 42 ASP HA . 30880 1 441 . 1 . 1 42 42 ASP HB2 H 1 2.742 0.005 . 2 . . 759 . A 42 ASP HB2 . 30880 1 442 . 1 . 1 42 42 ASP HB3 H 1 2.041 0.004 . 2 . . 760 . A 42 ASP HB3 . 30880 1 443 . 1 . 1 42 42 ASP C C 13 179.299 . . 1 . . 595 . A 42 ASP C . 30880 1 444 . 1 . 1 42 42 ASP CA C 13 58.646 0.051 . 1 . . 461 . A 42 ASP CA . 30880 1 445 . 1 . 1 42 42 ASP CB C 13 40.748 0.087 . 1 . . 425 . A 42 ASP CB . 30880 1 446 . 1 . 1 42 42 ASP N N 15 119.295 0.037 . 1 . . 77 . A 42 ASP N . 30880 1 447 . 1 . 1 43 43 PHE H H 1 7.763 0.01 . 1 . . 144 . A 43 PHE H . 30880 1 448 . 1 . 1 43 43 PHE HA H 1 4.365 0.006 . 1 . . 875 . A 43 PHE HA . 30880 1 449 . 1 . 1 43 43 PHE HB2 H 1 3.205 0.006 . 2 . . 876 . A 43 PHE HB2 . 30880 1 450 . 1 . 1 43 43 PHE HB3 H 1 3.230 . . 2 . . 1202 . A 43 PHE HB3 . 30880 1 451 . 1 . 1 43 43 PHE HD1 H 1 7.171 0.009 . 1 . . 1051 . A 43 PHE HD1 . 30880 1 452 . 1 . 1 43 43 PHE HD2 H 1 7.171 0.009 . 1 . . 1051 . A 43 PHE HD2 . 30880 1 453 . 1 . 1 43 43 PHE HE1 H 1 6.969 0.004 . 1 . . 1138 . A 43 PHE HE1 . 30880 1 454 . 1 . 1 43 43 PHE HE2 H 1 6.969 0.004 . 1 . . 1138 . A 43 PHE HE2 . 30880 1 455 . 1 . 1 43 43 PHE HZ H 1 6.773 0.002 . 1 . . 1139 . A 43 PHE HZ . 30880 1 456 . 1 . 1 43 43 PHE C C 13 178.057 . . 1 . . 276 . A 43 PHE C . 30880 1 457 . 1 . 1 43 43 PHE CA C 13 62.380 0.028 . 1 . . 324 . A 43 PHE CA . 30880 1 458 . 1 . 1 43 43 PHE CB C 13 39.063 0.081 . 1 . . 398 . A 43 PHE CB . 30880 1 459 . 1 . 1 43 43 PHE CD1 C 13 130.909 0.083 . 1 . . 1136 . A 43 PHE CD1 . 30880 1 460 . 1 . 1 43 43 PHE CD2 C 13 130.909 0.083 . 1 . . 1136 . A 43 PHE CD2 . 30880 1 461 . 1 . 1 43 43 PHE CE1 C 13 131.208 0.193 . 1 . . 1137 . A 43 PHE CE1 . 30880 1 462 . 1 . 1 43 43 PHE CE2 C 13 131.208 0.193 . 1 . . 1137 . A 43 PHE CE2 . 30880 1 463 . 1 . 1 43 43 PHE CZ C 13 129.742 0.025 . 1 . . 1140 . A 43 PHE CZ . 30880 1 464 . 1 . 1 43 43 PHE N N 15 115.845 0.058 . 1 . . 145 . A 43 PHE N . 30880 1 465 . 1 . 1 44 44 HIS H H 1 8.738 0.014 . 1 . . 21 . A 44 HIS H . 30880 1 466 . 1 . 1 44 44 HIS HA H 1 4.485 0.014 . 1 . . 550 . A 44 HIS HA . 30880 1 467 . 1 . 1 44 44 HIS HB2 H 1 3.441 0.007 . 2 . . 551 . A 44 HIS HB2 . 30880 1 468 . 1 . 1 44 44 HIS HB3 H 1 3.484 . . 2 . . 1203 . A 44 HIS HB3 . 30880 1 469 . 1 . 1 44 44 HIS HD2 H 1 7.307 0.004 . 1 . . 1305 . A 44 HIS HD2 . 30880 1 470 . 1 . 1 44 44 HIS C C 13 178.327 . . 1 . . 587 . A 44 HIS C . 30880 1 471 . 1 . 1 44 44 HIS CA C 13 60.118 0.064 . 1 . . 311 . A 44 HIS CA . 30880 1 472 . 1 . 1 44 44 HIS CB C 13 29.765 0.046 . 1 . . 420 . A 44 HIS CB . 30880 1 473 . 1 . 1 44 44 HIS CD2 C 13 120.752 0.005 . 1 . . 1306 . A 44 HIS CD2 . 30880 1 474 . 1 . 1 44 44 HIS N N 15 121.073 0.086 . 1 . . 22 . A 44 HIS N . 30880 1 475 . 1 . 1 45 45 GLN H H 1 8.676 0.01 . 1 . . 27 . A 45 GLN H . 30880 1 476 . 1 . 1 45 45 GLN HA H 1 4.086 0.01 . 1 . . 823 . A 45 GLN HA . 30880 1 477 . 1 . 1 45 45 GLN HB2 H 1 2.110 0.002 . 2 . . 824 . A 45 GLN HB2 . 30880 1 478 . 1 . 1 45 45 GLN HB3 H 1 2.032 0.021 . 2 . . 825 . A 45 GLN HB3 . 30880 1 479 . 1 . 1 45 45 GLN HG2 H 1 1.811 0.016 . 2 . . 827 . A 45 GLN HG2 . 30880 1 480 . 1 . 1 45 45 GLN HG3 H 1 1.595 0.013 . 2 . . 828 . A 45 GLN HG3 . 30880 1 481 . 1 . 1 45 45 GLN HE21 H 1 6.612 0.005 . 1 . . 1337 . A 45 GLN HE21 . 30880 1 482 . 1 . 1 45 45 GLN HE22 H 1 6.542 0.004 . 1 . . 1339 . A 45 GLN HE22 . 30880 1 483 . 1 . 1 45 45 GLN C C 13 179.486 . . 1 . . 268 . A 45 GLN C . 30880 1 484 . 1 . 1 45 45 GLN CA C 13 57.893 0.075 . 1 . . 342 . A 45 GLN CA . 30880 1 485 . 1 . 1 45 45 GLN CB C 13 29.821 0.034 . 1 . . 406 . A 45 GLN CB . 30880 1 486 . 1 . 1 45 45 GLN CG C 13 34.668 0.06 . 1 . . 826 . A 45 GLN CG . 30880 1 487 . 1 . 1 45 45 GLN N N 15 117.685 0.044 . 1 . . 28 . A 45 GLN N . 30880 1 488 . 1 . 1 45 45 GLN NE2 N 15 109.560 0.04 . 1 . . 1336 . A 45 GLN NE2 . 30880 1 489 . 1 . 1 46 46 LEU H H 1 8.418 0.011 . 1 . . 79 . A 46 LEU H . 30880 1 490 . 1 . 1 46 46 LEU HA H 1 4.300 0.013 . 1 . . 678 . A 46 LEU HA . 30880 1 491 . 1 . 1 46 46 LEU HB2 H 1 2.460 0.008 . 2 . . 684 . A 46 LEU HB2 . 30880 1 492 . 1 . 1 46 46 LEU HB3 H 1 1.597 0.008 . 2 . . 1095 . A 46 LEU HB3 . 30880 1 493 . 1 . 1 46 46 LEU HG H 1 1.794 0.009 . 1 . . 685 . A 46 LEU HG . 30880 1 494 . 1 . 1 46 46 LEU HD11 H 1 1.073 0.009 . 2 . . 1097 . A 46 LEU HD11 . 30880 1 495 . 1 . 1 46 46 LEU HD12 H 1 1.073 0.009 . 2 . . 1097 . A 46 LEU HD12 . 30880 1 496 . 1 . 1 46 46 LEU HD13 H 1 1.073 0.009 . 2 . . 1097 . A 46 LEU HD13 . 30880 1 497 . 1 . 1 46 46 LEU HD21 H 1 1.123 0.003 . 2 . . 1250 . A 46 LEU HD21 . 30880 1 498 . 1 . 1 46 46 LEU HD22 H 1 1.123 0.003 . 2 . . 1250 . A 46 LEU HD22 . 30880 1 499 . 1 . 1 46 46 LEU HD23 H 1 1.123 0.003 . 2 . . 1250 . A 46 LEU HD23 . 30880 1 500 . 1 . 1 46 46 LEU C C 13 177.423 . . 1 . . 607 . A 46 LEU C . 30880 1 501 . 1 . 1 46 46 LEU CA C 13 58.646 0.056 . 1 . . 471 . A 46 LEU CA . 30880 1 502 . 1 . 1 46 46 LEU CB C 13 42.25 0.050 . 1 . . 2004 . A 46 LEU CB . 30880 1 503 . 1 . 1 46 46 LEU CG C 13 27.207 0.074 . 1 . . 681 . A 46 LEU CG . 30880 1 504 . 1 . 1 46 46 LEU CD1 C 13 26.334 0.091 . 1 . . 2007 . A 46 LEU CD1 . 30880 1 505 . 1 . 1 46 46 LEU CD2 C 13 22.918 0.064 . 1 . . 1252 . A 46 LEU CD2 . 30880 1 506 . 1 . 1 46 46 LEU N N 15 121.689 0.082 . 1 . . 80 . A 46 LEU N . 30880 1 507 . 1 . 1 47 47 LYS H H 1 8.680 0.01 . 1 . . 25 . A 47 LYS H . 30880 1 508 . 1 . 1 47 47 LYS HA H 1 3.792 0.011 . 1 . . 728 . A 47 LYS HA . 30880 1 509 . 1 . 1 47 47 LYS HB2 H 1 2.009 0.013 . 2 . . 730 . A 47 LYS HB2 . 30880 1 510 . 1 . 1 47 47 LYS HB3 H 1 1.986 0.001 . 2 . . 731 . A 47 LYS HB3 . 30880 1 511 . 1 . 1 47 47 LYS HG2 H 1 1.480 0.015 . 2 . . 735 . A 47 LYS HG2 . 30880 1 512 . 1 . 1 47 47 LYS HG3 H 1 2.001 . . 2 . . 1206 . A 47 LYS HG3 . 30880 1 513 . 1 . 1 47 47 LYS HD2 H 1 1.752 0.005 . 2 . . 734 . A 47 LYS HD2 . 30880 1 514 . 1 . 1 47 47 LYS HD3 H 1 2.063 . . 2 . . 1207 . A 47 LYS HD3 . 30880 1 515 . 1 . 1 47 47 LYS HE2 H 1 2.997 0.001 . 2 . . 737 . A 47 LYS HE2 . 30880 1 516 . 1 . 1 47 47 LYS HE3 H 1 2.997 . . 2 . . 1208 . A 47 LYS HE3 . 30880 1 517 . 1 . 1 47 47 LYS C C 13 177.894 . . 1 . . 291 . A 47 LYS C . 30880 1 518 . 1 . 1 47 47 LYS CA C 13 61.568 0.069 . 1 . . 313 . A 47 LYS CA . 30880 1 519 . 1 . 1 47 47 LYS CB C 13 32.038 0.006 . 1 . . 380 . A 47 LYS CB . 30880 1 520 . 1 . 1 47 47 LYS CG C 13 25.306 0.05 . 1 . . 733 . A 47 LYS CG . 30880 1 521 . 1 . 1 47 47 LYS CD C 13 29.316 0.02 . 1 . . 732 . A 47 LYS CD . 30880 1 522 . 1 . 1 47 47 LYS CE C 13 41.723 0.078 . 1 . . 736 . A 47 LYS CE . 30880 1 523 . 1 . 1 47 47 LYS N N 15 119.186 0.055 . 1 . . 26 . A 47 LYS N . 30880 1 524 . 1 . 1 48 48 LYS H H 1 8.257 0.016 . 1 . . 37 . A 48 LYS H . 30880 1 525 . 1 . 1 48 48 LYS HA H 1 3.963 0.015 . 1 . . 717 . A 48 LYS HA . 30880 1 526 . 1 . 1 48 48 LYS HB2 H 1 1.933 0.002 . 2 . . 719 . A 48 LYS HB2 . 30880 1 527 . 1 . 1 48 48 LYS HB3 H 1 1.851 0.004 . 2 . . 720 . A 48 LYS HB3 . 30880 1 528 . 1 . 1 48 48 LYS HG2 H 1 1.609 0.034 . 2 . . 726 . A 48 LYS HG2 . 30880 1 529 . 1 . 1 48 48 LYS HG3 H 1 1.477 0.009 . 2 . . 727 . A 48 LYS HG3 . 30880 1 530 . 1 . 1 48 48 LYS HD2 H 1 1.728 0.0 . 2 . . 723 . A 48 LYS HD2 . 30880 1 531 . 1 . 1 48 48 LYS HD3 H 1 1.799 . . 2 . . 1209 . A 48 LYS HD3 . 30880 1 532 . 1 . 1 48 48 LYS HE2 H 1 3.020 0.001 . 2 . . 725 . A 48 LYS HE2 . 30880 1 533 . 1 . 1 48 48 LYS HE3 H 1 3.020 . . 2 . . 1210 . A 48 LYS HE3 . 30880 1 534 . 1 . 1 48 48 LYS C C 13 178.966 . . 1 . . 613 . A 48 LYS C . 30880 1 535 . 1 . 1 48 48 LYS CA C 13 59.908 0.067 . 1 . . 315 . A 48 LYS CA . 30880 1 536 . 1 . 1 48 48 LYS CB C 13 32.602 0.116 . 1 . . 439 . A 48 LYS CB . 30880 1 537 . 1 . 1 48 48 LYS CG C 13 25.213 0.078 . 1 . . 721 . A 48 LYS CG . 30880 1 538 . 1 . 1 48 48 LYS CD C 13 29.416 0.026 . 1 . . 722 . A 48 LYS CD . 30880 1 539 . 1 . 1 48 48 LYS CE C 13 41.778 0.034 . 1 . . 724 . A 48 LYS CE . 30880 1 540 . 1 . 1 48 48 LYS N N 15 119.454 0.056 . 1 . . 38 . A 48 LYS N . 30880 1 541 . 1 . 1 49 49 PHE H H 1 7.970 0.009 . 1 . . 75 . A 49 PHE H . 30880 1 542 . 1 . 1 49 49 PHE HA H 1 4.383 0.007 . 1 . . 753 . A 49 PHE HA . 30880 1 543 . 1 . 1 49 49 PHE HB2 H 1 3.176 0.009 . 2 . . 751 . A 49 PHE HB2 . 30880 1 544 . 1 . 1 49 49 PHE HB3 H 1 2.981 0.007 . 2 . . 752 . A 49 PHE HB3 . 30880 1 545 . 1 . 1 49 49 PHE HD1 H 1 6.771 0.009 . 1 . . 1068 . A 49 PHE HD1 . 30880 1 546 . 1 . 1 49 49 PHE HD2 H 1 6.771 0.009 . 1 . . 1068 . A 49 PHE HD2 . 30880 1 547 . 1 . 1 49 49 PHE HE1 H 1 6.777 0.008 . 1 . . 1080 . A 49 PHE HE1 . 30880 1 548 . 1 . 1 49 49 PHE HE2 H 1 6.777 0.008 . 1 . . 1080 . A 49 PHE HE2 . 30880 1 549 . 1 . 1 49 49 PHE HZ H 1 7.035 0.005 . 1 . . 1083 . A 49 PHE HZ . 30880 1 550 . 1 . 1 49 49 PHE C C 13 176.541 . . 1 . . 606 . A 49 PHE C . 30880 1 551 . 1 . 1 49 49 PHE CA C 13 59.674 0.057 . 1 . . 438 . A 49 PHE CA . 30880 1 552 . 1 . 1 49 49 PHE CB C 13 38.482 0.039 . 1 . . 488 . A 49 PHE CB . 30880 1 553 . 1 . 1 49 49 PHE CD1 C 13 131.962 0.046 . 1 . . 1078 . A 49 PHE CD1 . 30880 1 554 . 1 . 1 49 49 PHE CD2 C 13 131.962 0.046 . 1 . . 1078 . A 49 PHE CD2 . 30880 1 555 . 1 . 1 49 49 PHE CE1 C 13 130.02 0.050 . 1 . . 2002 . A 49 PHE CE1 . 30880 1 556 . 1 . 1 49 49 PHE CZ C 13 129.998 0.052 . 1 . . 1082 . A 49 PHE CZ . 30880 1 557 . 1 . 1 49 49 PHE N N 15 118.995 0.108 . 1 . . 76 . A 49 PHE N . 30880 1 558 . 1 . 1 50 50 LEU H H 1 8.482 0.011 . 1 . . 31 . A 50 LEU H . 30880 1 559 . 1 . 1 50 50 LEU HA H 1 3.392 0.01 . 1 . . 738 . A 50 LEU HA . 30880 1 560 . 1 . 1 50 50 LEU HB2 H 1 1.858 0.002 . 2 . . 745 . A 50 LEU HB2 . 30880 1 561 . 1 . 1 50 50 LEU HB3 H 1 1.037 . . 2 . . 1213 . A 50 LEU HB3 . 30880 1 562 . 1 . 1 50 50 LEU HG H 1 1.734 0.007 . 1 . . 743 . A 50 LEU HG . 30880 1 563 . 1 . 1 50 50 LEU HD11 H 1 0.351 0.003 . 2 . . 744 . A 50 LEU HD11 . 30880 1 564 . 1 . 1 50 50 LEU HD12 H 1 0.351 0.003 . 2 . . 744 . A 50 LEU HD12 . 30880 1 565 . 1 . 1 50 50 LEU HD13 H 1 0.351 0.003 . 2 . . 744 . A 50 LEU HD13 . 30880 1 566 . 1 . 1 50 50 LEU HD21 H 1 0.449 0.009 . 2 . . 747 . A 50 LEU HD21 . 30880 1 567 . 1 . 1 50 50 LEU HD22 H 1 0.449 0.009 . 2 . . 747 . A 50 LEU HD22 . 30880 1 568 . 1 . 1 50 50 LEU HD23 H 1 0.449 0.009 . 2 . . 747 . A 50 LEU HD23 . 30880 1 569 . 1 . 1 50 50 LEU C C 13 177.818 . . 1 . . 590 . A 50 LEU C . 30880 1 570 . 1 . 1 50 50 LEU CA C 13 57.493 0.074 . 1 . . 314 . A 50 LEU CA . 30880 1 571 . 1 . 1 50 50 LEU CB C 13 41.666 0.028 . 1 . . 427 . A 50 LEU CB . 30880 1 572 . 1 . 1 50 50 LEU CG C 13 26.910 0.12 . 1 . . 742 . A 50 LEU CG . 30880 1 573 . 1 . 1 50 50 LEU CD1 C 13 22.738 0.099 . 2 . . 741 . A 50 LEU CD1 . 30880 1 574 . 1 . 1 50 50 LEU CD2 C 13 26.014 0.057 . 2 . . 746 . A 50 LEU CD2 . 30880 1 575 . 1 . 1 50 50 LEU N N 15 119.195 0.045 . 1 . . 32 . A 50 LEU N . 30880 1 576 . 1 . 1 51 51 LYS H H 1 7.913 0.006 . 1 . . 69 . A 51 LYS H . 30880 1 577 . 1 . 1 51 51 LYS HA H 1 3.960 0.015 . 1 . . 813 . A 51 LYS HA . 30880 1 578 . 1 . 1 51 51 LYS HB2 H 1 2.006 0.003 . 2 . . 814 . A 51 LYS HB2 . 30880 1 579 . 1 . 1 51 51 LYS HB3 H 1 1.924 0.0 . 2 . . 815 . A 51 LYS HB3 . 30880 1 580 . 1 . 1 51 51 LYS HG2 H 1 1.638 0.0 . 2 . . 819 . A 51 LYS HG2 . 30880 1 581 . 1 . 1 51 51 LYS HG3 H 1 1.463 0.0 . 2 . . 820 . A 51 LYS HG3 . 30880 1 582 . 1 . 1 51 51 LYS HD2 H 1 1.733 0.003 . 2 . . 822 . A 51 LYS HD2 . 30880 1 583 . 1 . 1 51 51 LYS HD3 H 1 1.659 . . 2 . . 1214 . A 51 LYS HD3 . 30880 1 584 . 1 . 1 51 51 LYS HE2 H 1 2.928 0.004 . 2 . . 821 . A 51 LYS HE2 . 30880 1 585 . 1 . 1 51 51 LYS HE3 H 1 2.928 . . 2 . . 1215 . A 51 LYS HE3 . 30880 1 586 . 1 . 1 51 51 LYS C C 13 179.379 . . 1 . . 617 . A 51 LYS C . 30880 1 587 . 1 . 1 51 51 LYS CA C 13 60.342 0.081 . 1 . . 341 . A 51 LYS CA . 30880 1 588 . 1 . 1 51 51 LYS CB C 13 32.180 0.044 . 1 . . 404 . A 51 LYS CB . 30880 1 589 . 1 . 1 51 51 LYS CG C 13 25.285 0.05 . 1 . . 817 . A 51 LYS CG . 30880 1 590 . 1 . 1 51 51 LYS CD C 13 29.342 0.029 . 1 . . 816 . A 51 LYS CD . 30880 1 591 . 1 . 1 51 51 LYS CE C 13 41.800 0.033 . 1 . . 818 . A 51 LYS CE . 30880 1 592 . 1 . 1 51 51 LYS N N 15 117.649 0.129 . 1 . . 70 . A 51 LYS N . 30880 1 593 . 1 . 1 52 52 ILE H H 1 7.203 0.01 . 1 . . 140 . A 52 ILE H . 30880 1 594 . 1 . 1 52 52 ILE HA H 1 3.881 0.012 . 1 . . 764 . A 52 ILE HA . 30880 1 595 . 1 . 1 52 52 ILE HB H 1 2.063 0.004 . 1 . . 772 . A 52 ILE HB . 30880 1 596 . 1 . 1 52 52 ILE HG12 H 1 1.814 0.004 . 2 . . 766 . A 52 ILE HG12 . 30880 1 597 . 1 . 1 52 52 ILE HG13 H 1 1.273 0.01 . 2 . . 767 . A 52 ILE HG13 . 30880 1 598 . 1 . 1 52 52 ILE HG21 H 1 0.956 0.004 . 1 . . 769 . A 52 ILE HG21 . 30880 1 599 . 1 . 1 52 52 ILE HG22 H 1 0.956 0.004 . 1 . . 769 . A 52 ILE HG22 . 30880 1 600 . 1 . 1 52 52 ILE HG23 H 1 0.956 0.004 . 1 . . 769 . A 52 ILE HG23 . 30880 1 601 . 1 . 1 52 52 ILE HD11 H 1 1.033 0.003 . 1 . . 771 . A 52 ILE HD11 . 30880 1 602 . 1 . 1 52 52 ILE HD12 H 1 1.033 0.003 . 1 . . 771 . A 52 ILE HD12 . 30880 1 603 . 1 . 1 52 52 ILE HD13 H 1 1.033 0.003 . 1 . . 771 . A 52 ILE HD13 . 30880 1 604 . 1 . 1 52 52 ILE C C 13 180.118 . . 1 . . 237 . A 52 ILE C . 30880 1 605 . 1 . 1 52 52 ILE CA C 13 64.317 0.046 . 1 . . 384 . A 52 ILE CA . 30880 1 606 . 1 . 1 52 52 ILE CB C 13 38.410 0.047 . 1 . . 385 . A 52 ILE CB . 30880 1 607 . 1 . 1 52 52 ILE CG1 C 13 28.517 0.033 . 1 . . 765 . A 52 ILE CG1 . 30880 1 608 . 1 . 1 52 52 ILE CG2 C 13 16.918 0.107 . 1 . . 768 . A 52 ILE CG2 . 30880 1 609 . 1 . 1 52 52 ILE CD1 C 13 13.397 0.046 . 1 . . 770 . A 52 ILE CD1 . 30880 1 610 . 1 . 1 52 52 ILE N N 15 119.012 0.086 . 1 . . 141 . A 52 ILE N . 30880 1 611 . 1 . 1 53 53 ALA H H 1 8.728 0.01 . 1 . . 7 . A 53 ALA H . 30880 1 612 . 1 . 1 53 53 ALA HA H 1 3.970 0.014 . 1 . . 520 . A 53 ALA HA . 30880 1 613 . 1 . 1 53 53 ALA HB1 H 1 0.678 0.011 . 1 . . 521 . A 53 ALA HB1 . 30880 1 614 . 1 . 1 53 53 ALA HB2 H 1 0.678 0.011 . 1 . . 521 . A 53 ALA HB2 . 30880 1 615 . 1 . 1 53 53 ALA HB3 H 1 0.678 0.011 . 1 . . 521 . A 53 ALA HB3 . 30880 1 616 . 1 . 1 53 53 ALA C C 13 181.323 . . 1 . . 275 . A 53 ALA C . 30880 1 617 . 1 . 1 53 53 ALA CA C 13 54.791 0.086 . 1 . . 304 . A 53 ALA CA . 30880 1 618 . 1 . 1 53 53 ALA CB C 13 17.582 0.048 . 1 . . 408 . A 53 ALA CB . 30880 1 619 . 1 . 1 53 53 ALA N N 15 125.046 0.056 . 1 . . 8 . A 53 ALA N . 30880 1 620 . 1 . 1 54 54 LEU H H 1 8.632 0.007 . 1 . . 23 . A 54 LEU H . 30880 1 621 . 1 . 1 54 54 LEU HA H 1 4.029 0.013 . 1 . . 552 . A 54 LEU HA . 30880 1 622 . 1 . 1 54 54 LEU HB2 H 1 1.548 0.01 . 2 . . 553 . A 54 LEU HB2 . 30880 1 623 . 1 . 1 54 54 LEU HB3 H 1 2.017 . . 2 . . 1216 . A 54 LEU HB3 . 30880 1 624 . 1 . 1 54 54 LEU HG H 1 1.566 0.007 . 1 . . 554 . A 54 LEU HG . 30880 1 625 . 1 . 1 54 54 LEU HD11 H 1 0.811 0.016 . 2 . . 1256 . A 54 LEU HD11 . 30880 1 626 . 1 . 1 54 54 LEU HD12 H 1 0.811 0.016 . 2 . . 1256 . A 54 LEU HD12 . 30880 1 627 . 1 . 1 54 54 LEU HD13 H 1 0.811 0.016 . 2 . . 1256 . A 54 LEU HD13 . 30880 1 628 . 1 . 1 54 54 LEU HD21 H 1 0.813 0.014 . 2 . . 1258 . A 54 LEU HD21 . 30880 1 629 . 1 . 1 54 54 LEU HD22 H 1 0.813 0.014 . 2 . . 1258 . A 54 LEU HD22 . 30880 1 630 . 1 . 1 54 54 LEU HD23 H 1 0.813 0.014 . 2 . . 1258 . A 54 LEU HD23 . 30880 1 631 . 1 . 1 54 54 LEU C C 13 177.375 . . 1 . . 591 . A 54 LEU C . 30880 1 632 . 1 . 1 54 54 LEU CA C 13 57.245 0.081 . 1 . . 312 . A 54 LEU CA . 30880 1 633 . 1 . 1 54 54 LEU CB C 13 42.232 0.072 . 1 . . 409 . A 54 LEU CB . 30880 1 634 . 1 . 1 54 54 LEU CG C 13 27.733 0.059 . 1 . . 1217 . A 54 LEU CG . 30880 1 635 . 1 . 1 54 54 LEU CD1 C 13 25.851 0.08 . 1 . . 2008 . A 54 LEU CD1 . 30880 1 636 . 1 . 1 54 54 LEU CD2 C 13 23.697 0.046 . 1 . . 1257 . A 54 LEU CD2 . 30880 1 637 . 1 . 1 54 54 LEU N N 15 120.980 0.095 . 1 . . 24 . A 54 LEU N . 30880 1 638 . 1 . 1 55 55 GLU H H 1 7.621 0.013 . 1 . . 138 . A 55 GLU H . 30880 1 639 . 1 . 1 55 55 GLU HA H 1 4.276 0.009 . 1 . . 860 . A 55 GLU HA . 30880 1 640 . 1 . 1 55 55 GLU HB2 H 1 2.295 0.014 . 2 . . 861 . A 55 GLU HB2 . 30880 1 641 . 1 . 1 55 55 GLU HB3 H 1 2.383 . . 2 . . 1221 . A 55 GLU HB3 . 30880 1 642 . 1 . 1 55 55 GLU HG2 H 1 2.324 0.007 . 2 . . 863 . A 55 GLU HG2 . 30880 1 643 . 1 . 1 55 55 GLU HG3 H 1 2.697 0.007 . 2 . . 864 . A 55 GLU HG3 . 30880 1 644 . 1 . 1 55 55 GLU C C 13 177.676 . . 1 . . 641 . A 55 GLU C . 30880 1 645 . 1 . 1 55 55 GLU CA C 13 57.826 0.087 . 1 . . 338 . A 55 GLU CA . 30880 1 646 . 1 . 1 55 55 GLU CB C 13 29.555 0.072 . 1 . . 437 . A 55 GLU CB . 30880 1 647 . 1 . 1 55 55 GLU CG C 13 36.415 0.029 . 1 . . 862 . A 55 GLU CG . 30880 1 648 . 1 . 1 55 55 GLU N N 15 116.384 0.074 . 1 . . 139 . A 55 GLU N . 30880 1 649 . 1 . 1 56 56 THR H H 1 7.599 0.007 . 1 . . 174 . A 56 THR H . 30880 1 650 . 1 . 1 56 56 THR HA H 1 4.832 0.01 . 1 . . 896 . A 56 THR HA . 30880 1 651 . 1 . 1 56 56 THR HB H 1 4.487 0.01 . 1 . . 897 . A 56 THR HB . 30880 1 652 . 1 . 1 56 56 THR HG21 H 1 1.377 0.01 . 1 . . 899 . A 56 THR HG21 . 30880 1 653 . 1 . 1 56 56 THR HG22 H 1 1.377 0.01 . 1 . . 899 . A 56 THR HG22 . 30880 1 654 . 1 . 1 56 56 THR HG23 H 1 1.377 0.01 . 1 . . 899 . A 56 THR HG23 . 30880 1 655 . 1 . 1 56 56 THR CA C 13 57.752 0.058 . 1 . . 489 . A 56 THR CA . 30880 1 656 . 1 . 1 56 56 THR CB C 13 69.876 0.083 . 1 . . 436 . A 56 THR CB . 30880 1 657 . 1 . 1 56 56 THR CG2 C 13 21.147 0.01 . 1 . . 898 . A 56 THR CG2 . 30880 1 658 . 1 . 1 56 56 THR N N 15 111.352 0.072 . 1 . . 175 . A 56 THR N . 30880 1 659 . 1 . 1 57 57 PRO HA H 1 4.040 0.012 . 1 . . 1057 . A 57 PRO HA . 30880 1 660 . 1 . 1 57 57 PRO HB2 H 1 1.748 0.008 . 2 . . 1058 . A 57 PRO HB2 . 30880 1 661 . 1 . 1 57 57 PRO HB3 H 1 2.216 . . 2 . . 1059 . A 57 PRO HB3 . 30880 1 662 . 1 . 1 57 57 PRO HG2 H 1 1.975 . . 2 . . 1061 . A 57 PRO HG2 . 30880 1 663 . 1 . 1 57 57 PRO HG3 H 1 1.738 . . 2 . . 1062 . A 57 PRO HG3 . 30880 1 664 . 1 . 1 57 57 PRO HD2 H 1 3.423 0.003 . 2 . . 1064 . A 57 PRO HD2 . 30880 1 665 . 1 . 1 57 57 PRO HD3 H 1 3.659 0.008 . 2 . . 1065 . A 57 PRO HD3 . 30880 1 666 . 1 . 1 57 57 PRO C C 13 176.845 . . 1 . . 612 . A 57 PRO C . 30880 1 667 . 1 . 1 57 57 PRO CA C 13 64.182 0.047 . 1 . . 316 . A 57 PRO CA . 30880 1 668 . 1 . 1 57 57 PRO CB C 13 29.371 0.039 . 1 . . 574 . A 57 PRO CB . 30880 1 669 . 1 . 1 57 57 PRO CG C 13 26.620 0.068 . 1 . . 1060 . A 57 PRO CG . 30880 1 670 . 1 . 1 57 57 PRO CD C 13 50.033 0.062 . 1 . . 1063 . A 57 PRO CD . 30880 1 671 . 1 . 1 58 58 VAL H H 1 8.361 0.01 . 1 . . 41 . A 58 VAL H . 30880 1 672 . 1 . 1 58 58 VAL HA H 1 4.187 0.009 . 1 . . 782 . A 58 VAL HA . 30880 1 673 . 1 . 1 58 58 VAL HB H 1 2.468 0.008 . 1 . . 783 . A 58 VAL HB . 30880 1 674 . 1 . 1 58 58 VAL HG11 H 1 1.062 0.0 . 2 . . 785 . A 58 VAL HG11 . 30880 1 675 . 1 . 1 58 58 VAL HG12 H 1 1.062 0.0 . 2 . . 785 . A 58 VAL HG12 . 30880 1 676 . 1 . 1 58 58 VAL HG13 H 1 1.062 0.0 . 2 . . 785 . A 58 VAL HG13 . 30880 1 677 . 1 . 1 58 58 VAL HG21 H 1 1.103 0.007 . 2 . . 787 . A 58 VAL HG21 . 30880 1 678 . 1 . 1 58 58 VAL HG22 H 1 1.103 0.007 . 2 . . 787 . A 58 VAL HG22 . 30880 1 679 . 1 . 1 58 58 VAL HG23 H 1 1.103 0.007 . 2 . . 787 . A 58 VAL HG23 . 30880 1 680 . 1 . 1 58 58 VAL C C 13 174.986 . . 1 . . 598 . A 58 VAL C . 30880 1 681 . 1 . 1 58 58 VAL CA C 13 63.227 0.065 . 1 . . 317 . A 58 VAL CA . 30880 1 682 . 1 . 1 58 58 VAL CB C 13 31.698 0.109 . 1 . . 495 . A 58 VAL CB . 30880 1 683 . 1 . 1 58 58 VAL CG1 C 13 21.055 0.019 . 2 . . 784 . A 58 VAL CG1 . 30880 1 684 . 1 . 1 58 58 VAL CG2 C 13 19.105 0.04 . 2 . . 786 . A 58 VAL CG2 . 30880 1 685 . 1 . 1 58 58 VAL N N 15 118.598 0.047 . 1 . . 42 . A 58 VAL N . 30880 1 686 . 1 . 1 59 59 TRP H H 1 6.848 0.011 . 1 . . 154 . A 59 TRP H . 30880 1 687 . 1 . 1 59 59 TRP HA H 1 4.667 0.008 . 1 . . 883 . A 59 TRP HA . 30880 1 688 . 1 . 1 59 59 TRP HB2 H 1 4.199 0.007 . 2 . . 884 . A 59 TRP HB2 . 30880 1 689 . 1 . 1 59 59 TRP HB3 H 1 2.617 0.01 . 2 . . 885 . A 59 TRP HB3 . 30880 1 690 . 1 . 1 59 59 TRP HD1 H 1 7.419 0.015 . 1 . . 1066 . A 59 TRP HD1 . 30880 1 691 . 1 . 1 59 59 TRP HE1 H 1 9.806 . . 1 . . 1222 . A 59 TRP HE1 . 30880 1 692 . 1 . 1 59 59 TRP HE3 H 1 7.418 0.003 . 1 . . 1168 . A 59 TRP HE3 . 30880 1 693 . 1 . 1 59 59 TRP HZ2 H 1 6.740 0.0 . 1 . . 1173 . A 59 TRP HZ2 . 30880 1 694 . 1 . 1 59 59 TRP HZ3 H 1 6.848 0.001 . 1 . . 1171 . A 59 TRP HZ3 . 30880 1 695 . 1 . 1 59 59 TRP HH2 H 1 6.800 0.0 . 1 . . 1175 . A 59 TRP HH2 . 30880 1 696 . 1 . 1 59 59 TRP C C 13 173.383 . . 1 . . 619 . A 59 TRP C . 30880 1 697 . 1 . 1 59 59 TRP CA C 13 53.804 0.061 . 1 . . 327 . A 59 TRP CA . 30880 1 698 . 1 . 1 59 59 TRP CB C 13 30.802 0.038 . 1 . . 397 . A 59 TRP CB . 30880 1 699 . 1 . 1 59 59 TRP CD1 C 13 127.659 0.098 . 1 . . 1141 . A 59 TRP CD1 . 30880 1 700 . 1 . 1 59 59 TRP CE3 C 13 122.913 0.079 . 1 . . 1169 . A 59 TRP CE3 . 30880 1 701 . 1 . 1 59 59 TRP CZ2 C 13 113.522 . . 1 . . 1172 . A 59 TRP CZ2 . 30880 1 702 . 1 . 1 59 59 TRP CZ3 C 13 121.493 . . 1 . . 1170 . A 59 TRP CZ3 . 30880 1 703 . 1 . 1 59 59 TRP CH2 C 13 124.462 . . 1 . . 1174 . A 59 TRP CH2 . 30880 1 704 . 1 . 1 59 59 TRP N N 15 115.062 0.044 . 1 . . 155 . A 59 TRP N . 30880 1 705 . 1 . 1 59 59 TRP NE1 N 15 131.324 0.02 . 1 . . 201 . A 59 TRP NE1 . 30880 1 706 . 1 . 1 60 60 ILE H H 1 6.478 0.012 . 1 . . 150 . A 60 ILE H . 30880 1 707 . 1 . 1 60 60 ILE HA H 1 3.487 0.007 . 1 . . 773 . A 60 ILE HA . 30880 1 708 . 1 . 1 60 60 ILE HB H 1 0.861 0.019 . 1 . . 774 . A 60 ILE HB . 30880 1 709 . 1 . 1 60 60 ILE HG12 H 1 0.329 0.008 . 2 . . 776 . A 60 ILE HG12 . 30880 1 710 . 1 . 1 60 60 ILE HG13 H 1 -0.129 0.006 . 2 . . 777 . A 60 ILE HG13 . 30880 1 711 . 1 . 1 60 60 ILE HG21 H 1 0.412 0.005 . 1 . . 779 . A 60 ILE HG21 . 30880 1 712 . 1 . 1 60 60 ILE HG22 H 1 0.412 0.005 . 1 . . 779 . A 60 ILE HG22 . 30880 1 713 . 1 . 1 60 60 ILE HG23 H 1 0.412 0.005 . 1 . . 779 . A 60 ILE HG23 . 30880 1 714 . 1 . 1 60 60 ILE HD11 H 1 0.333 0.003 . 1 . . 781 . A 60 ILE HD11 . 30880 1 715 . 1 . 1 60 60 ILE HD12 H 1 0.333 0.003 . 1 . . 781 . A 60 ILE HD12 . 30880 1 716 . 1 . 1 60 60 ILE HD13 H 1 0.333 0.003 . 1 . . 781 . A 60 ILE HD13 . 30880 1 717 . 1 . 1 60 60 ILE C C 13 174.423 . . 1 . . 618 . A 60 ILE C . 30880 1 718 . 1 . 1 60 60 ILE CA C 13 62.841 0.09 . 1 . . 396 . A 60 ILE CA . 30880 1 719 . 1 . 1 60 60 ILE CB C 13 39.160 0.063 . 1 . . 426 . A 60 ILE CB . 30880 1 720 . 1 . 1 60 60 ILE CG1 C 13 27.504 0.05 . 1 . . 775 . A 60 ILE CG1 . 30880 1 721 . 1 . 1 60 60 ILE CG2 C 13 16.634 0.053 . 1 . . 778 . A 60 ILE CG2 . 30880 1 722 . 1 . 1 60 60 ILE CD1 C 13 13.798 0.08 . 1 . . 780 . A 60 ILE CD1 . 30880 1 723 . 1 . 1 60 60 ILE N N 15 119.240 0.056 . 1 . . 151 . A 60 ILE N . 30880 1 724 . 1 . 1 61 61 CYS H H 1 7.529 0.01 . 1 . . 134 . A 61 CYS H . 30880 1 725 . 1 . 1 61 61 CYS HA H 1 4.660 0.006 . 1 . . 761 . A 61 CYS HA . 30880 1 726 . 1 . 1 61 61 CYS HB2 H 1 2.836 0.007 . 2 . . 762 . A 61 CYS HB2 . 30880 1 727 . 1 . 1 61 61 CYS HB3 H 1 2.675 0.01 . 2 . . 763 . A 61 CYS HB3 . 30880 1 728 . 1 . 1 61 61 CYS CA C 13 55.939 0.084 . 1 . . 350 . A 61 CYS CA . 30880 1 729 . 1 . 1 61 61 CYS CB C 13 28.117 0.051 . 1 . . 496 . A 61 CYS CB . 30880 1 730 . 1 . 1 61 61 CYS N N 15 119.042 0.033 . 1 . . 135 . A 61 CYS N . 30880 1 731 . 1 . 1 62 62 PRO HA H 1 4.852 0.005 . 1 . . 1019 . A 62 PRO HA . 30880 1 732 . 1 . 1 62 62 PRO HB2 H 1 2.439 0.005 . 2 . . 1020 . A 62 PRO HB2 . 30880 1 733 . 1 . 1 62 62 PRO HB3 H 1 2.086 0.003 . 2 . . 1021 . A 62 PRO HB3 . 30880 1 734 . 1 . 1 62 62 PRO HG2 H 1 1.984 . . 2 . . 1023 . A 62 PRO HG2 . 30880 1 735 . 1 . 1 62 62 PRO HG3 H 1 1.912 . . 2 . . 1024 . A 62 PRO HG3 . 30880 1 736 . 1 . 1 62 62 PRO HD2 H 1 3.669 . . 2 . . 1026 . A 62 PRO HD2 . 30880 1 737 . 1 . 1 62 62 PRO HD3 H 1 3.534 . . 2 . . 1027 . A 62 PRO HD3 . 30880 1 738 . 1 . 1 62 62 PRO C C 13 175.900 . . 1 . . 644 . A 62 PRO C . 30880 1 739 . 1 . 1 62 62 PRO CA C 13 62.907 0.058 . 1 . . 463 . A 62 PRO CA . 30880 1 740 . 1 . 1 62 62 PRO CB C 13 34.232 0.08 . 1 . . 575 . A 62 PRO CB . 30880 1 741 . 1 . 1 62 62 PRO CG C 13 25.126 0.08 . 1 . . 1022 . A 62 PRO CG . 30880 1 742 . 1 . 1 62 62 PRO CD C 13 50.083 0.074 . 1 . . 1025 . A 62 PRO CD . 30880 1 743 . 1 . 1 63 63 ILE H H 1 8.277 0.008 . 1 . . 88 . A 63 ILE H . 30880 1 744 . 1 . 1 63 63 ILE HA H 1 4.285 0.004 . 1 . . 671 . A 63 ILE HA . 30880 1 745 . 1 . 1 63 63 ILE HB H 1 1.668 0.006 . 1 . . 1102 . A 63 ILE HB . 30880 1 746 . 1 . 1 63 63 ILE HG12 H 1 1.034 0.008 . 2 . . 1099 . A 63 ILE HG12 . 30880 1 747 . 1 . 1 63 63 ILE HG13 H 1 0.748 0.002 . 2 . . 1100 . A 63 ILE HG13 . 30880 1 748 . 1 . 1 63 63 ILE HG21 H 1 0.753 . . 1 . . 1223 . A 63 ILE HG21 . 30880 1 749 . 1 . 1 63 63 ILE HG22 H 1 0.753 . . 1 . . 1223 . A 63 ILE HG22 . 30880 1 750 . 1 . 1 63 63 ILE HG23 H 1 0.753 . . 1 . . 1223 . A 63 ILE HG23 . 30880 1 751 . 1 . 1 63 63 ILE HD11 H 1 0.815 0.002 . 1 . . 1101 . A 63 ILE HD11 . 30880 1 752 . 1 . 1 63 63 ILE HD12 H 1 0.815 0.002 . 1 . . 1101 . A 63 ILE HD12 . 30880 1 753 . 1 . 1 63 63 ILE HD13 H 1 0.815 0.002 . 1 . . 1101 . A 63 ILE HD13 . 30880 1 754 . 1 . 1 63 63 ILE C C 13 176.590 . . 1 . . 241 . A 63 ILE C . 30880 1 755 . 1 . 1 63 63 ILE CA C 13 60.497 0.14 . 1 . . 374 . A 63 ILE CA . 30880 1 756 . 1 . 1 63 63 ILE CB C 13 38.058 0.049 . 1 . . 990 . A 63 ILE CB . 30880 1 757 . 1 . 1 63 63 ILE CG1 C 13 28.905 0.046 . 1 . . 991 . A 63 ILE CG1 . 30880 1 758 . 1 . 1 63 63 ILE CG2 C 13 17.254 0.059 . 1 . . 992 . A 63 ILE CG2 . 30880 1 759 . 1 . 1 63 63 ILE CD1 C 13 13.274 0.077 . 1 . . 993 . A 63 ILE CD1 . 30880 1 760 . 1 . 1 63 63 ILE N N 15 122.336 0.053 . 1 . . 87 . A 63 ILE N . 30880 1 761 . 1 . 1 64 64 ASN H H 1 8.510 0.009 . 1 . . 13 . A 64 ASN H . 30880 1 762 . 1 . 1 64 64 ASN HA H 1 4.933 0.005 . 1 . . 525 . A 64 ASN HA . 30880 1 763 . 1 . 1 64 64 ASN HB2 H 1 3.108 0.006 . 2 . . 526 . A 64 ASN HB2 . 30880 1 764 . 1 . 1 64 64 ASN HB3 H 1 2.660 0.006 . 2 . . 527 . A 64 ASN HB3 . 30880 1 765 . 1 . 1 64 64 ASN HD21 H 1 8.031 0.002 . 1 . . 1334 . A 64 ASN HD21 . 30880 1 766 . 1 . 1 64 64 ASN HD22 H 1 7.152 0.002 . 1 . . 1335 . A 64 ASN HD22 . 30880 1 767 . 1 . 1 64 64 ASN C C 13 175.976 . . 1 . . 219 . A 64 ASN C . 30880 1 768 . 1 . 1 64 64 ASN CA C 13 51.730 0.093 . 1 . . 375 . A 64 ASN CA . 30880 1 769 . 1 . 1 64 64 ASN CB C 13 38.985 0.06 . 1 . . 413 . A 64 ASN CB . 30880 1 770 . 1 . 1 64 64 ASN N N 15 125.778 0.039 . 1 . . 14 . A 64 ASN N . 30880 1 771 . 1 . 1 64 64 ASN ND2 N 15 113.218 0.039 . 1 . . 1333 . A 64 ASN ND2 . 30880 1 772 . 1 . 1 65 65 TYR H H 1 8.522 0.012 . 1 . . 390 . A 65 TYR H . 30880 1 773 . 1 . 1 65 65 TYR HA H 1 4.430 0.012 . 1 . . 538 . A 65 TYR HA . 30880 1 774 . 1 . 1 65 65 TYR HB2 H 1 2.685 0.01 . 2 . . 539 . A 65 TYR HB2 . 30880 1 775 . 1 . 1 65 65 TYR HB3 H 1 3.069 0.009 . 2 . . 1067 . A 65 TYR HB3 . 30880 1 776 . 1 . 1 65 65 TYR HD1 H 1 6.920 0.007 . 1 . . 1087 . A 65 TYR HD1 . 30880 1 777 . 1 . 1 65 65 TYR HD2 H 1 6.920 0.007 . 1 . . 1087 . A 65 TYR HD2 . 30880 1 778 . 1 . 1 65 65 TYR HE1 H 1 6.612 0.004 . 1 . . 1085 . A 65 TYR HE1 . 30880 1 779 . 1 . 1 65 65 TYR HE2 H 1 6.612 0.004 . 1 . . 1085 . A 65 TYR HE2 . 30880 1 780 . 1 . 1 65 65 TYR C C 13 177.545 . . 1 . . 589 . A 65 TYR C . 30880 1 781 . 1 . 1 65 65 TYR CA C 13 60.905 0.067 . 1 . . 392 . A 65 TYR CA . 30880 1 782 . 1 . 1 65 65 TYR CB C 13 38.480 0.042 . 1 . . 393 . A 65 TYR CB . 30880 1 783 . 1 . 1 65 65 TYR CD1 C 13 131.920 0.011 . 1 . . 1086 . A 65 TYR CD1 . 30880 1 784 . 1 . 1 65 65 TYR CD2 C 13 131.920 0.011 . 1 . . 1086 . A 65 TYR CD2 . 30880 1 785 . 1 . 1 65 65 TYR CE1 C 13 118.832 0.042 . 1 . . 1084 . A 65 TYR CE1 . 30880 1 786 . 1 . 1 65 65 TYR CE2 C 13 118.832 0.042 . 1 . . 1084 . A 65 TYR CE2 . 30880 1 787 . 1 . 1 65 65 TYR N N 15 122.658 0.055 . 1 . . 391 . A 65 TYR N . 30880 1 788 . 1 . 1 66 66 SER H H 1 8.547 0.008 . 1 . . 33 . A 66 SER H . 30880 1 789 . 1 . 1 66 66 SER HA H 1 4.139 0.008 . 1 . . 835 . A 66 SER HA . 30880 1 790 . 1 . 1 66 66 SER HB2 H 1 4.001 0.008 . 2 . . 837 . A 66 SER HB2 . 30880 1 791 . 1 . 1 66 66 SER HB3 H 1 4.270 0.011 . 2 . . 838 . A 66 SER HB3 . 30880 1 792 . 1 . 1 66 66 SER C C 13 177.124 . . 1 . . 231 . A 66 SER C . 30880 1 793 . 1 . 1 66 66 SER CA C 13 62.333 0.018 . 1 . . 301 . A 66 SER CA . 30880 1 794 . 1 . 1 66 66 SER CB C 13 62.196 0.027 . 1 . . 836 . A 66 SER CB . 30880 1 795 . 1 . 1 66 66 SER N N 15 117.036 0.041 . 1 . . 34 . A 66 SER N . 30880 1 796 . 1 . 1 67 67 LEU H H 1 7.704 0.006 . 1 . . 103 . A 67 LEU H . 30880 1 797 . 1 . 1 67 67 LEU HA H 1 4.263 0.012 . 1 . . 659 . A 67 LEU HA . 30880 1 798 . 1 . 1 67 67 LEU HB2 H 1 1.677 0.004 . 2 . . 535 . A 67 LEU HB2 . 30880 1 799 . 1 . 1 67 67 LEU HB3 H 1 1.710 . . 2 . . 1224 . A 67 LEU HB3 . 30880 1 800 . 1 . 1 67 67 LEU HG H 1 1.613 0.001 . 1 . . 534 . A 67 LEU HG . 30880 1 801 . 1 . 1 67 67 LEU HD11 H 1 0.966 0.02 . 2 . . 533 . A 67 LEU HD11 . 30880 1 802 . 1 . 1 67 67 LEU HD12 H 1 0.966 0.02 . 2 . . 533 . A 67 LEU HD12 . 30880 1 803 . 1 . 1 67 67 LEU HD13 H 1 0.966 0.02 . 2 . . 533 . A 67 LEU HD13 . 30880 1 804 . 1 . 1 67 67 LEU HD21 H 1 0.996 0.013 . 2 . . 663 . A 67 LEU HD21 . 30880 1 805 . 1 . 1 67 67 LEU HD22 H 1 0.996 0.013 . 2 . . 663 . A 67 LEU HD22 . 30880 1 806 . 1 . 1 67 67 LEU HD23 H 1 0.996 0.013 . 2 . . 663 . A 67 LEU HD23 . 30880 1 807 . 1 . 1 67 67 LEU C C 13 180.261 . . 1 . . 274 . A 67 LEU C . 30880 1 808 . 1 . 1 67 67 LEU CA C 13 56.989 0.058 . 1 . . 308 . A 67 LEU CA . 30880 1 809 . 1 . 1 67 67 LEU CB C 13 42.196 0.034 . 1 . . 454 . A 67 LEU CB . 30880 1 810 . 1 . 1 67 67 LEU CG C 13 27.385 0.094 . 1 . . 660 . A 67 LEU CG . 30880 1 811 . 1 . 1 67 67 LEU CD1 C 13 24.948 0.035 . 2 . . 662 . A 67 LEU CD1 . 30880 1 812 . 1 . 1 67 67 LEU CD2 C 13 23.988 0.053 . 2 . . 664 . A 67 LEU CD2 . 30880 1 813 . 1 . 1 67 67 LEU N N 15 124.277 0.026 . 1 . . 104 . A 67 LEU N . 30880 1 814 . 1 . 1 68 68 LEU H H 1 7.776 0.007 . 1 . . 293 . A 68 LEU H . 30880 1 815 . 1 . 1 68 68 LEU HA H 1 3.603 0.009 . 1 . . 941 . A 68 LEU HA . 30880 1 816 . 1 . 1 68 68 LEU HB2 H 1 1.150 0.003 . 2 . . 942 . A 68 LEU HB2 . 30880 1 817 . 1 . 1 68 68 LEU HB3 H 1 2.050 0.005 . 2 . . 943 . A 68 LEU HB3 . 30880 1 818 . 1 . 1 68 68 LEU HG H 1 1.281 0.009 . 1 . . 945 . A 68 LEU HG . 30880 1 819 . 1 . 1 68 68 LEU HD11 H 1 0.655 0.006 . 2 . . 947 . A 68 LEU HD11 . 30880 1 820 . 1 . 1 68 68 LEU HD12 H 1 0.655 0.006 . 2 . . 947 . A 68 LEU HD12 . 30880 1 821 . 1 . 1 68 68 LEU HD13 H 1 0.655 0.006 . 2 . . 947 . A 68 LEU HD13 . 30880 1 822 . 1 . 1 68 68 LEU HD21 H 1 -0.653 0.006 . 2 . . 949 . A 68 LEU HD21 . 30880 1 823 . 1 . 1 68 68 LEU HD22 H 1 -0.653 0.006 . 2 . . 949 . A 68 LEU HD22 . 30880 1 824 . 1 . 1 68 68 LEU HD23 H 1 -0.653 0.006 . 2 . . 949 . A 68 LEU HD23 . 30880 1 825 . 1 . 1 68 68 LEU C C 13 177.760 . . 1 . . 623 . A 68 LEU C . 30880 1 826 . 1 . 1 68 68 LEU CA C 13 58.265 0.076 . 1 . . 455 . A 68 LEU CA . 30880 1 827 . 1 . 1 68 68 LEU CB C 13 40.428 0.053 . 1 . . 456 . A 68 LEU CB . 30880 1 828 . 1 . 1 68 68 LEU CG C 13 26.712 0.112 . 1 . . 944 . A 68 LEU CG . 30880 1 829 . 1 . 1 68 68 LEU CD1 C 13 21.59 0.050 . 2 . . 2000 . A 68 LEU CD1 . 30880 1 830 . 1 . 1 68 68 LEU CD2 C 13 26.64 0.050 . 2 . . 2001 . A 68 LEU CD2 . 30880 1 831 . 1 . 1 68 68 LEU N N 15 121.133 0.087 . 1 . . 292 . A 68 LEU N . 30880 1 832 . 1 . 1 69 69 ALA H H 1 8.159 0.005 . 1 . . 65 . A 69 ALA H . 30880 1 833 . 1 . 1 69 69 ALA HA H 1 3.939 0.006 . 1 . . 797 . A 69 ALA HA . 30880 1 834 . 1 . 1 69 69 ALA HB1 H 1 1.542 0.005 . 1 . . 795 . A 69 ALA HB1 . 30880 1 835 . 1 . 1 69 69 ALA HB2 H 1 1.542 0.005 . 1 . . 795 . A 69 ALA HB2 . 30880 1 836 . 1 . 1 69 69 ALA HB3 H 1 1.542 0.005 . 1 . . 795 . A 69 ALA HB3 . 30880 1 837 . 1 . 1 69 69 ALA C C 13 179.864 . . 1 . . 636 . A 69 ALA C . 30880 1 838 . 1 . 1 69 69 ALA CA C 13 54.753 0.06 . 1 . . 431 . A 69 ALA CA . 30880 1 839 . 1 . 1 69 69 ALA CB C 13 17.933 0.07 . 1 . . 452 . A 69 ALA CB . 30880 1 840 . 1 . 1 69 69 ALA N N 15 118.156 0.071 . 1 . . 66 . A 69 ALA N . 30880 1 841 . 1 . 1 70 70 SER H H 1 7.641 0.009 . 1 . . 148 . A 70 SER H . 30880 1 842 . 1 . 1 70 70 SER HA H 1 4.383 0.007 . 1 . . 886 . A 70 SER HA . 30880 1 843 . 1 . 1 70 70 SER HB2 H 1 4.081 0.018 . 2 . . 887 . A 70 SER HB2 . 30880 1 844 . 1 . 1 70 70 SER HB3 H 1 4.098 0.018 . 2 . . 888 . A 70 SER HB3 . 30880 1 845 . 1 . 1 70 70 SER C C 13 174.739 . . 1 . . 277 . A 70 SER C . 30880 1 846 . 1 . 1 70 70 SER CA C 13 60.916 0.077 . 1 . . 299 . A 70 SER CA . 30880 1 847 . 1 . 1 70 70 SER CB C 13 63.180 0.081 . 1 . . 395 . A 70 SER CB . 30880 1 848 . 1 . 1 70 70 SER N N 15 114.447 0.032 . 1 . . 149 . A 70 SER N . 30880 1 849 . 1 . 1 71 71 LEU H H 1 7.734 0.008 . 1 . . 118 . A 71 LEU H . 30880 1 850 . 1 . 1 71 71 LEU HA H 1 4.399 0.008 . 1 . . 556 . A 71 LEU HA . 30880 1 851 . 1 . 1 71 71 LEU HB2 H 1 1.674 0.006 . 2 . . 557 . A 71 LEU HB2 . 30880 1 852 . 1 . 1 71 71 LEU HB3 H 1 2.121 0.005 . 2 . . 1103 . A 71 LEU HB3 . 30880 1 853 . 1 . 1 71 71 LEU HG H 1 1.697 0.001 . 1 . . 558 . A 71 LEU HG . 30880 1 854 . 1 . 1 71 71 LEU HD11 H 1 1.032 0.006 . 2 . . 559 . A 71 LEU HD11 . 30880 1 855 . 1 . 1 71 71 LEU HD12 H 1 1.032 0.006 . 2 . . 559 . A 71 LEU HD12 . 30880 1 856 . 1 . 1 71 71 LEU HD13 H 1 1.032 0.006 . 2 . . 559 . A 71 LEU HD13 . 30880 1 857 . 1 . 1 71 71 LEU HD21 H 1 0.950 0.003 . 2 . . 1106 . A 71 LEU HD21 . 30880 1 858 . 1 . 1 71 71 LEU HD22 H 1 0.950 0.003 . 2 . . 1106 . A 71 LEU HD22 . 30880 1 859 . 1 . 1 71 71 LEU HD23 H 1 0.950 0.003 . 2 . . 1106 . A 71 LEU HD23 . 30880 1 860 . 1 . 1 71 71 LEU C C 13 177.108 . . 1 . . 255 . A 71 LEU C . 30880 1 861 . 1 . 1 71 71 LEU CA C 13 54.550 0.075 . 1 . . 362 . A 71 LEU CA . 30880 1 862 . 1 . 1 71 71 LEU CB C 13 41.804 0.071 . 1 . . 421 . A 71 LEU CB . 30880 1 863 . 1 . 1 71 71 LEU CG C 13 25.710 . . 1 . . 1225 . A 71 LEU CG . 30880 1 864 . 1 . 1 71 71 LEU CD1 C 13 26.404 0.046 . 2 . . 1104 . A 71 LEU CD1 . 30880 1 865 . 1 . 1 71 71 LEU CD2 C 13 22.004 0.031 . 2 . . 1105 . A 71 LEU CD2 . 30880 1 866 . 1 . 1 71 71 LEU N N 15 120.888 0.057 . 1 . . 117 . A 71 LEU N . 30880 1 867 . 1 . 1 72 72 LEU H H 1 7.219 0.011 . 1 . . 130 . A 72 LEU H . 30880 1 868 . 1 . 1 72 72 LEU HA H 1 3.980 0.01 . 1 . . 512 . A 72 LEU HA . 30880 1 869 . 1 . 1 72 72 LEU HB2 H 1 1.760 0.007 . 2 . . 511 . A 72 LEU HB2 . 30880 1 870 . 1 . 1 72 72 LEU HB3 H 1 0.698 0.02 . 2 . . 1069 . A 72 LEU HB3 . 30880 1 871 . 1 . 1 72 72 LEU HG H 1 1.274 0.007 . 1 . . 670 . A 72 LEU HG . 30880 1 872 . 1 . 1 72 72 LEU HD11 H 1 -0.288 0.006 . 2 . . 1071 . A 72 LEU HD11 . 30880 1 873 . 1 . 1 72 72 LEU HD12 H 1 -0.288 0.006 . 2 . . 1071 . A 72 LEU HD12 . 30880 1 874 . 1 . 1 72 72 LEU HD13 H 1 -0.288 0.006 . 2 . . 1071 . A 72 LEU HD13 . 30880 1 875 . 1 . 1 72 72 LEU HD21 H 1 0.518 0.011 . 2 . . 1073 . A 72 LEU HD21 . 30880 1 876 . 1 . 1 72 72 LEU HD22 H 1 0.518 0.011 . 2 . . 1073 . A 72 LEU HD22 . 30880 1 877 . 1 . 1 72 72 LEU HD23 H 1 0.518 0.011 . 2 . . 1073 . A 72 LEU HD23 . 30880 1 878 . 1 . 1 72 72 LEU CA C 13 52.954 0.059 . 1 . . 369 . A 72 LEU CA . 30880 1 879 . 1 . 1 72 72 LEU CB C 13 42.476 0.075 . 1 . . 453 . A 72 LEU CB . 30880 1 880 . 1 . 1 72 72 LEU CG C 13 25.845 0.067 . 1 . . 669 . A 72 LEU CG . 30880 1 881 . 1 . 1 72 72 LEU CD1 C 13 23.747 0.076 . 2 . . 1070 . A 72 LEU CD1 . 30880 1 882 . 1 . 1 72 72 LEU CD2 C 13 25.929 0.087 . 2 . . 1072 . A 72 LEU CD2 . 30880 1 883 . 1 . 1 72 72 LEU N N 15 123.302 0.014 . 1 . . 131 . A 72 LEU N . 30880 1 884 . 1 . 1 73 73 PRO HA H 1 4.437 . . 1 . . 1012 . A 73 PRO HA . 30880 1 885 . 1 . 1 73 73 PRO HB2 H 1 2.519 . . 2 . . 1013 . A 73 PRO HB2 . 30880 1 886 . 1 . 1 73 73 PRO HB3 H 1 1.951 . . 2 . . 1226 . A 73 PRO HB3 . 30880 1 887 . 1 . 1 73 73 PRO HG2 H 1 2.200 . . 2 . . 1018 . A 73 PRO HG2 . 30880 1 888 . 1 . 1 73 73 PRO HG3 H 1 2.136 . . 2 . . 1227 . A 73 PRO HG3 . 30880 1 889 . 1 . 1 73 73 PRO HD2 H 1 4.312 . . 2 . . 1015 . A 73 PRO HD2 . 30880 1 890 . 1 . 1 73 73 PRO HD3 H 1 3.058 . . 2 . . 1016 . A 73 PRO HD3 . 30880 1 891 . 1 . 1 73 73 PRO C C 13 176.906 . . 1 . . 230 . A 73 PRO C . 30880 1 892 . 1 . 1 73 73 PRO CA C 13 62.774 0.046 . 1 . . 305 . A 73 PRO CA . 30880 1 893 . 1 . 1 73 73 PRO CB C 13 32.489 0.033 . 1 . . 599 . A 73 PRO CB . 30880 1 894 . 1 . 1 73 73 PRO CG C 13 27.790 0.052 . 1 . . 1017 . A 73 PRO CG . 30880 1 895 . 1 . 1 73 73 PRO CD C 13 50.916 0.044 . 1 . . 1014 . A 73 PRO CD . 30880 1 896 . 1 . 1 74 74 LYS H H 1 8.629 0.007 . 1 . . 9 . A 74 LYS H . 30880 1 897 . 1 . 1 74 74 LYS HA H 1 4.147 0.008 . 1 . . 529 . A 74 LYS HA . 30880 1 898 . 1 . 1 74 74 LYS HB2 H 1 1.835 0.017 . 2 . . 531 . A 74 LYS HB2 . 30880 1 899 . 1 . 1 74 74 LYS HB3 H 1 1.799 . . 2 . . 1228 . A 74 LYS HB3 . 30880 1 900 . 1 . 1 74 74 LYS HG2 H 1 1.571 0.015 . 2 . . 532 . A 74 LYS HG2 . 30880 1 901 . 1 . 1 74 74 LYS HG3 H 1 1.490 . . 2 . . 656 . A 74 LYS HG3 . 30880 1 902 . 1 . 1 74 74 LYS HD2 H 1 1.760 0.002 . 2 . . 654 . A 74 LYS HD2 . 30880 1 903 . 1 . 1 74 74 LYS HD3 H 1 1.810 . . 2 . . 1229 . A 74 LYS HD3 . 30880 1 904 . 1 . 1 74 74 LYS HE2 H 1 3.096 0.031 . 2 . . 658 . A 74 LYS HE2 . 30880 1 905 . 1 . 1 74 74 LYS HE3 H 1 3.096 . . 2 . . 1230 . A 74 LYS HE3 . 30880 1 906 . 1 . 1 74 74 LYS C C 13 178.615 . . 1 . . 637 . A 74 LYS C . 30880 1 907 . 1 . 1 74 74 LYS CA C 13 57.722 0.095 . 1 . . 306 . A 74 LYS CA . 30880 1 908 . 1 . 1 74 74 LYS CB C 13 31.867 0.067 . 1 . . 416 . A 74 LYS CB . 30880 1 909 . 1 . 1 74 74 LYS CG C 13 24.811 0.018 . 1 . . 655 . A 74 LYS CG . 30880 1 910 . 1 . 1 74 74 LYS CD C 13 28.982 0.081 . 1 . . 653 . A 74 LYS CD . 30880 1 911 . 1 . 1 74 74 LYS CE C 13 41.882 0.057 . 1 . . 657 . A 74 LYS CE . 30880 1 912 . 1 . 1 74 74 LYS N N 15 124.252 0.027 . 1 . . 10 . A 74 LYS N . 30880 1 913 . 1 . 1 75 75 GLY H H 1 8.916 0.007 . 1 . . 39 . A 75 GLY H . 30880 1 914 . 1 . 1 75 75 GLY HA2 H 1 4.018 0.01 . 2 . . 889 . A 75 GLY HA2 . 30880 1 915 . 1 . 1 75 75 GLY HA3 H 1 3.843 0.012 . 2 . . 890 . A 75 GLY HA3 . 30880 1 916 . 1 . 1 75 75 GLY C C 13 174.476 . . 1 . . 228 . A 75 GLY C . 30880 1 917 . 1 . 1 75 75 GLY CA C 13 45.672 0.08 . 1 . . 295 . A 75 GLY CA . 30880 1 918 . 1 . 1 75 75 GLY N N 15 113.392 0.044 . 1 . . 40 . A 75 GLY N . 30880 1 919 . 1 . 1 76 76 TYR H H 1 7.540 0.012 . 1 . . 124 . A 76 TYR H . 30880 1 920 . 1 . 1 76 76 TYR HA H 1 4.582 0.01 . 1 . . 518 . A 76 TYR HA . 30880 1 921 . 1 . 1 76 76 TYR HB2 H 1 2.743 0.012 . 2 . . 519 . A 76 TYR HB2 . 30880 1 922 . 1 . 1 76 76 TYR HB3 H 1 3.249 . . 2 . . 1231 . A 76 TYR HB3 . 30880 1 923 . 1 . 1 76 76 TYR HD1 H 1 7.164 0.008 . 1 . . 1075 . A 76 TYR HD1 . 30880 1 924 . 1 . 1 76 76 TYR HD2 H 1 7.164 0.008 . 1 . . 1075 . A 76 TYR HD2 . 30880 1 925 . 1 . 1 76 76 TYR HE1 H 1 6.811 0.003 . 1 . . 1076 . A 76 TYR HE1 . 30880 1 926 . 1 . 1 76 76 TYR HE2 H 1 6.811 0.003 . 1 . . 1076 . A 76 TYR HE2 . 30880 1 927 . 1 . 1 76 76 TYR CA C 13 57.368 0.089 . 1 . . 370 . A 76 TYR CA . 30880 1 928 . 1 . 1 76 76 TYR CB C 13 39.155 0.054 . 1 . . 451 . A 76 TYR CB . 30880 1 929 . 1 . 1 76 76 TYR CD1 C 13 133.782 0.055 . 1 . . 1074 . A 76 TYR CD1 . 30880 1 930 . 1 . 1 76 76 TYR CD2 C 13 133.782 0.055 . 1 . . 1074 . A 76 TYR CD2 . 30880 1 931 . 1 . 1 76 76 TYR CE1 C 13 117.321 0.049 . 1 . . 1077 . A 76 TYR CE1 . 30880 1 932 . 1 . 1 76 76 TYR CE2 C 13 117.321 0.049 . 1 . . 1077 . A 76 TYR CE2 . 30880 1 933 . 1 . 1 76 76 TYR N N 15 124.224 0.029 . 1 . . 125 . A 76 TYR N . 30880 1 934 . 1 . 1 77 77 PRO HA H 1 4.886 0.003 . 1 . . 1144 . A 77 PRO HA . 30880 1 935 . 1 . 1 77 77 PRO HB2 H 1 2.228 0.005 . 2 . . 1146 . A 77 PRO HB2 . 30880 1 936 . 1 . 1 77 77 PRO HB3 H 1 2.576 0.008 . 2 . . 1147 . A 77 PRO HB3 . 30880 1 937 . 1 . 1 77 77 PRO HG2 H 1 1.862 0.017 . 2 . . 1145 . A 77 PRO HG2 . 30880 1 938 . 1 . 1 77 77 PRO HG3 H 1 2.034 . . 2 . . 1150 . A 77 PRO HG3 . 30880 1 939 . 1 . 1 77 77 PRO HD2 H 1 3.680 0.003 . 2 . . 1148 . A 77 PRO HD2 . 30880 1 940 . 1 . 1 77 77 PRO HD3 H 1 3.527 . . 2 . . 1232 . A 77 PRO HD3 . 30880 1 941 . 1 . 1 77 77 PRO C C 13 176.557 . . 1 . . 240 . A 77 PRO C . 30880 1 942 . 1 . 1 77 77 PRO CA C 13 63.287 0.045 . 1 . . 379 . A 77 PRO CA . 30880 1 943 . 1 . 1 77 77 PRO CB C 13 34.605 0.028 . 1 . . 1049 . A 77 PRO CB . 30880 1 944 . 1 . 1 77 77 PRO CG C 13 25.445 0.02 . 1 . . 1149 . A 77 PRO CG . 30880 1 945 . 1 . 1 77 77 PRO CD C 13 50.030 0.034 . 1 . . 1151 . A 77 PRO CD . 30880 1 946 . 1 . 1 78 78 GLY H H 1 8.549 0.005 . 1 . . 11 . A 78 GLY H . 30880 1 947 . 1 . 1 78 78 GLY HA2 H 1 4.136 0.011 . 2 . . 1142 . A 78 GLY HA2 . 30880 1 948 . 1 . 1 78 78 GLY HA3 H 1 3.934 0.003 . 2 . . 1143 . A 78 GLY HA3 . 30880 1 949 . 1 . 1 78 78 GLY C C 13 174.464 . . 1 . . 287 . A 78 GLY C . 30880 1 950 . 1 . 1 78 78 GLY CA C 13 45.476 0.085 . 1 . . 378 . A 78 GLY CA . 30880 1 951 . 1 . 1 78 78 GLY N N 15 105.395 0.094 . 1 . . 12 . A 78 GLY N . 30880 1 952 . 1 . 1 79 79 ARG H H 1 8.252 0.005 . 1 . . 649 . A 79 ARG H . 30880 1 953 . 1 . 1 79 79 ARG HA H 1 4.358 0.005 . 1 . . 1286 . A 79 ARG HA . 30880 1 954 . 1 . 1 79 79 ARG HB2 H 1 1.758 0.0 . 1 . . 1289 . A 79 ARG HB2 . 30880 1 955 . 1 . 1 79 79 ARG HG2 H 1 1.602 . . 2 . . 1291 . A 79 ARG HG2 . 30880 1 956 . 1 . 1 79 79 ARG HG3 H 1 1.547 . . 2 . . 1292 . A 79 ARG HG3 . 30880 1 957 . 1 . 1 79 79 ARG HD2 H 1 3.191 . . 1 . . 1295 . A 79 ARG HD2 . 30880 1 958 . 1 . 1 79 79 ARG C C 13 176.808 . . 1 . . 280 . A 79 ARG C . 30880 1 959 . 1 . 1 79 79 ARG CA C 13 56.155 0.08 . 1 . . 651 . A 79 ARG CA . 30880 1 960 . 1 . 1 79 79 ARG CB C 13 31.087 0.073 . 1 . . 1048 . A 79 ARG CB . 30880 1 961 . 1 . 1 79 79 ARG CG C 13 27.070 0.045 . 1 . . 1290 . A 79 ARG CG . 30880 1 962 . 1 . 1 79 79 ARG CD C 13 43.283 0.024 . 1 . . 1293 . A 79 ARG CD . 30880 1 963 . 1 . 1 79 79 ARG N N 15 120.566 0.036 . 1 . . 650 . A 79 ARG N . 30880 1 964 . 1 . 1 80 80 VAL H H 1 8.232 0.008 . 1 . . 67 . A 80 VAL H . 30880 1 965 . 1 . 1 80 80 VAL HA H 1 3.402 0.01 . 1 . . 560 . A 80 VAL HA . 30880 1 966 . 1 . 1 80 80 VAL HB H 1 2.158 0.007 . 1 . . 561 . A 80 VAL HB . 30880 1 967 . 1 . 1 80 80 VAL HG11 H 1 1.098 0.005 . 1 . . 2010 . A 80 VAL HG11 . 30880 1 968 . 1 . 1 80 80 VAL HG12 H 1 1.098 0.005 . 1 . . 2010 . A 80 VAL HG12 . 30880 1 969 . 1 . 1 80 80 VAL HG13 H 1 1.098 0.005 . 1 . . 2010 . A 80 VAL HG13 . 30880 1 970 . 1 . 1 80 80 VAL HG21 H 1 0.720 0.005 . 1 . . 563 . A 80 VAL HG21 . 30880 1 971 . 1 . 1 80 80 VAL HG22 H 1 0.720 0.005 . 1 . . 563 . A 80 VAL HG22 . 30880 1 972 . 1 . 1 80 80 VAL HG23 H 1 0.720 0.005 . 1 . . 563 . A 80 VAL HG23 . 30880 1 973 . 1 . 1 80 80 VAL C C 13 177.310 . . 1 . . 588 . A 80 VAL C . 30880 1 974 . 1 . 1 80 80 VAL CA C 13 67.145 0.059 . 1 . . 365 . A 80 VAL CA . 30880 1 975 . 1 . 1 80 80 VAL CB C 13 31.064 0.073 . 1 . . 423 . A 80 VAL CB . 30880 1 976 . 1 . 1 80 80 VAL CG1 C 13 23.880 0.039 . 1 . . 2011 . A 80 VAL CG1 . 30880 1 977 . 1 . 1 80 80 VAL CG2 C 13 22.950 0.039 . 1 . . 1119 . A 80 VAL CG2 . 30880 1 978 . 1 . 1 80 80 VAL N N 15 120.580 0.026 . 1 . . 68 . A 80 VAL N . 30880 1 979 . 1 . 1 81 81 ASN H H 1 8.789 0.01 . 1 . . 29 . A 81 ASN H . 30880 1 980 . 1 . 1 81 81 ASN HA H 1 4.079 0.012 . 1 . . 832 . A 81 ASN HA . 30880 1 981 . 1 . 1 81 81 ASN HB2 H 1 2.789 0.01 . 2 . . 833 . A 81 ASN HB2 . 30880 1 982 . 1 . 1 81 81 ASN HB3 H 1 2.726 0.001 . 2 . . 834 . A 81 ASN HB3 . 30880 1 983 . 1 . 1 81 81 ASN HD21 H 1 7.568 0.002 . 1 . . 1316 . A 81 ASN HD21 . 30880 1 984 . 1 . 1 81 81 ASN HD22 H 1 6.918 0.002 . 1 . . 1317 . A 81 ASN HD22 . 30880 1 985 . 1 . 1 81 81 ASN C C 13 177.246 . . 1 . . 271 . A 81 ASN C . 30880 1 986 . 1 . 1 81 81 ASN CA C 13 56.944 0.081 . 1 . . 300 . A 81 ASN CA . 30880 1 987 . 1 . 1 81 81 ASN CB C 13 37.121 0.075 . 1 . . 411 . A 81 ASN CB . 30880 1 988 . 1 . 1 81 81 ASN N N 15 117.100 0.044 . 1 . . 30 . A 81 ASN N . 30880 1 989 . 1 . 1 81 81 ASN ND2 N 15 113.264 0.026 . 1 . . 1315 . A 81 ASN ND2 . 30880 1 990 . 1 . 1 82 82 GLU H H 1 7.779 0.019 . 1 . . 381 . A 82 GLU H . 30880 1 991 . 1 . 1 82 82 GLU HA H 1 4.066 0.011 . 1 . . 543 . A 82 GLU HA . 30880 1 992 . 1 . 1 82 82 GLU HB2 H 1 2.099 0.050 . 2 . . 2005 . A 82 GLU HB2 . 30880 1 993 . 1 . 1 82 82 GLU HB3 H 1 2.099 0.050 . 2 . . 2006 . A 82 GLU HB3 . 30880 1 994 . 1 . 1 82 82 GLU HG2 H 1 2.163 . . 2 . . 545 . A 82 GLU HG2 . 30880 1 995 . 1 . 1 82 82 GLU HG3 H 1 2.294 0.001 . 2 . . 703 . A 82 GLU HG3 . 30880 1 996 . 1 . 1 82 82 GLU C C 13 178.983 . . 1 . . 290 . A 82 GLU C . 30880 1 997 . 1 . 1 82 82 GLU CA C 13 59.808 0.07 . 1 . . 383 . A 82 GLU CA . 30880 1 998 . 1 . 1 82 82 GLU CB C 13 30.268 0.06 . 1 . . 428 . A 82 GLU CB . 30880 1 999 . 1 . 1 82 82 GLU CG C 13 36.996 0.028 . 1 . . 702 . A 82 GLU CG . 30880 1 1000 . 1 . 1 82 82 GLU N N 15 121.284 0.081 . 1 . . 382 . A 82 GLU N . 30880 1 1001 . 1 . 1 83 83 ILE H H 1 7.742 0.013 . 1 . . 113 . A 83 ILE H . 30880 1 1002 . 1 . 1 83 83 ILE HA H 1 3.431 0.012 . 1 . . 960 . A 83 ILE HA . 30880 1 1003 . 1 . 1 83 83 ILE HB H 1 2.068 0.004 . 1 . . 961 . A 83 ILE HB . 30880 1 1004 . 1 . 1 83 83 ILE HG12 H 1 0.667 0.003 . 2 . . 967 . A 83 ILE HG12 . 30880 1 1005 . 1 . 1 83 83 ILE HG13 H 1 2.135 0.0 . 2 . . 968 . A 83 ILE HG13 . 30880 1 1006 . 1 . 1 83 83 ILE HG21 H 1 0.948 0.002 . 1 . . 963 . A 83 ILE HG21 . 30880 1 1007 . 1 . 1 83 83 ILE HG22 H 1 0.948 0.002 . 1 . . 963 . A 83 ILE HG22 . 30880 1 1008 . 1 . 1 83 83 ILE HG23 H 1 0.948 0.002 . 1 . . 963 . A 83 ILE HG23 . 30880 1 1009 . 1 . 1 83 83 ILE HD11 H 1 0.771 0.005 . 1 . . 965 . A 83 ILE HD11 . 30880 1 1010 . 1 . 1 83 83 ILE HD12 H 1 0.771 0.005 . 1 . . 965 . A 83 ILE HD12 . 30880 1 1011 . 1 . 1 83 83 ILE HD13 H 1 0.771 0.005 . 1 . . 965 . A 83 ILE HD13 . 30880 1 1012 . 1 . 1 83 83 ILE C C 13 177.450 . . 1 . . 627 . A 83 ILE C . 30880 1 1013 . 1 . 1 83 83 ILE CA C 13 66.182 0.048 . 1 . . 353 . A 83 ILE CA . 30880 1 1014 . 1 . 1 83 83 ILE CB C 13 38.316 0.056 . 1 . . 424 . A 83 ILE CB . 30880 1 1015 . 1 . 1 83 83 ILE CG1 C 13 30.535 0.029 . 1 . . 966 . A 83 ILE CG1 . 30880 1 1016 . 1 . 1 83 83 ILE CG2 C 13 16.785 0.064 . 1 . . 962 . A 83 ILE CG2 . 30880 1 1017 . 1 . 1 83 83 ILE CD1 C 13 13.769 0.012 . 1 . . 964 . A 83 ILE CD1 . 30880 1 1018 . 1 . 1 83 83 ILE N N 15 120.099 0.039 . 1 . . 114 . A 83 ILE N . 30880 1 1019 . 1 . 1 84 84 LEU H H 1 8.429 0.009 . 1 . . 45 . A 84 LEU H . 30880 1 1020 . 1 . 1 84 84 LEU HA H 1 3.957 0.007 . 1 . . 839 . A 84 LEU HA . 30880 1 1021 . 1 . 1 84 84 LEU HB2 H 1 2.058 0.008 . 2 . . 846 . A 84 LEU HB2 . 30880 1 1022 . 1 . 1 84 84 LEU HB3 H 1 1.333 0.007 . 2 . . 847 . A 84 LEU HB3 . 30880 1 1023 . 1 . 1 84 84 LEU HG H 1 1.950 0.005 . 1 . . 845 . A 84 LEU HG . 30880 1 1024 . 1 . 1 84 84 LEU HD11 H 1 0.946 0.003 . 2 . . 842 . A 84 LEU HD11 . 30880 1 1025 . 1 . 1 84 84 LEU HD12 H 1 0.946 0.003 . 2 . . 842 . A 84 LEU HD12 . 30880 1 1026 . 1 . 1 84 84 LEU HD13 H 1 0.946 0.003 . 2 . . 842 . A 84 LEU HD13 . 30880 1 1027 . 1 . 1 84 84 LEU HD21 H 1 0.788 0.003 . 2 . . 844 . A 84 LEU HD21 . 30880 1 1028 . 1 . 1 84 84 LEU HD22 H 1 0.788 0.003 . 2 . . 844 . A 84 LEU HD22 . 30880 1 1029 . 1 . 1 84 84 LEU HD23 H 1 0.788 0.003 . 2 . . 844 . A 84 LEU HD23 . 30880 1 1030 . 1 . 1 84 84 LEU C C 13 178.301 . . 1 . . 622 . A 84 LEU C . 30880 1 1031 . 1 . 1 84 84 LEU CA C 13 57.842 0.09 . 1 . . 318 . A 84 LEU CA . 30880 1 1032 . 1 . 1 84 84 LEU CB C 13 40.512 0.057 . 1 . . 429 . A 84 LEU CB . 30880 1 1033 . 1 . 1 84 84 LEU CG C 13 26.642 0.065 . 1 . . 840 . A 84 LEU CG . 30880 1 1034 . 1 . 1 84 84 LEU CD1 C 13 22.817 0.044 . 2 . . 841 . A 84 LEU CD1 . 30880 1 1035 . 1 . 1 84 84 LEU CD2 C 13 26.639 0.09 . 2 . . 843 . A 84 LEU CD2 . 30880 1 1036 . 1 . 1 84 84 LEU N N 15 116.754 0.036 . 1 . . 46 . A 84 LEU N . 30880 1 1037 . 1 . 1 85 85 HIS H H 1 8.172 0.008 . 1 . . 51 . A 85 HIS H . 30880 1 1038 . 1 . 1 85 85 HIS HA H 1 4.235 0.013 . 1 . . 829 . A 85 HIS HA . 30880 1 1039 . 1 . 1 85 85 HIS HB2 H 1 3.335 0.013 . 2 . . 830 . A 85 HIS HB2 . 30880 1 1040 . 1 . 1 85 85 HIS HB3 H 1 3.268 0.01 . 2 . . 831 . A 85 HIS HB3 . 30880 1 1041 . 1 . 1 85 85 HIS HD1 H 1 8.226 . . 1 . . 1234 . A 85 HIS HD1 . 30880 1 1042 . 1 . 1 85 85 HIS HD2 H 1 7.132 0.015 . 1 . . 1158 . A 85 HIS HD2 . 30880 1 1043 . 1 . 1 85 85 HIS C C 13 177.402 . . 1 . . 283 . A 85 HIS C . 30880 1 1044 . 1 . 1 85 85 HIS CA C 13 60.122 0.058 . 1 . . 430 . A 85 HIS CA . 30880 1 1045 . 1 . 1 85 85 HIS CB C 13 28.999 0.055 . 1 . . 432 . A 85 HIS CB . 30880 1 1046 . 1 . 1 85 85 HIS CD2 C 13 120.093 0.039 . 1 . . 1157 . A 85 HIS CD2 . 30880 1 1047 . 1 . 1 85 85 HIS N N 15 117.454 0.094 . 1 . . 52 . A 85 HIS N . 30880 1 1048 . 1 . 1 85 85 HIS ND1 N 15 197.915 . . 1 . . 1235 . A 85 HIS ND1 . 30880 1 1049 . 1 . 1 86 86 ILE H H 1 7.821 0.019 . 1 . . 111 . A 86 ILE H . 30880 1 1050 . 1 . 1 86 86 ILE HA H 1 3.661 0.009 . 1 . . 951 . A 86 ILE HA . 30880 1 1051 . 1 . 1 86 86 ILE HB H 1 1.984 0.003 . 1 . . 953 . A 86 ILE HB . 30880 1 1052 . 1 . 1 86 86 ILE HG12 H 1 1.891 0.005 . 2 . . 954 . A 86 ILE HG12 . 30880 1 1053 . 1 . 1 86 86 ILE HG13 H 1 1.070 0.007 . 2 . . 955 . A 86 ILE HG13 . 30880 1 1054 . 1 . 1 86 86 ILE HG21 H 1 0.880 0.001 . 1 . . 957 . A 86 ILE HG21 . 30880 1 1055 . 1 . 1 86 86 ILE HG22 H 1 0.880 0.001 . 1 . . 957 . A 86 ILE HG22 . 30880 1 1056 . 1 . 1 86 86 ILE HG23 H 1 0.880 0.001 . 1 . . 957 . A 86 ILE HG23 . 30880 1 1057 . 1 . 1 86 86 ILE HD11 H 1 0.826 0.002 . 1 . . 959 . A 86 ILE HD11 . 30880 1 1058 . 1 . 1 86 86 ILE HD12 H 1 0.826 0.002 . 1 . . 959 . A 86 ILE HD12 . 30880 1 1059 . 1 . 1 86 86 ILE HD13 H 1 0.826 0.002 . 1 . . 959 . A 86 ILE HD13 . 30880 1 1060 . 1 . 1 86 86 ILE C C 13 179.140 . . 1 . . 225 . A 86 ILE C . 30880 1 1061 . 1 . 1 86 86 ILE CA C 13 65.347 0.049 . 1 . . 363 . A 86 ILE CA . 30880 1 1062 . 1 . 1 86 86 ILE CB C 13 38.084 0.089 . 1 . . 490 . A 86 ILE CB . 30880 1 1063 . 1 . 1 86 86 ILE CG1 C 13 29.575 0.058 . 1 . . 952 . A 86 ILE CG1 . 30880 1 1064 . 1 . 1 86 86 ILE CG2 C 13 17.482 0.065 . 1 . . 956 . A 86 ILE CG2 . 30880 1 1065 . 1 . 1 86 86 ILE CD1 C 13 13.753 0.036 . 1 . . 958 . A 86 ILE CD1 . 30880 1 1066 . 1 . 1 86 86 ILE N N 15 120.559 0.086 . 1 . . 112 . A 86 ILE N . 30880 1 1067 . 1 . 1 87 87 LEU H H 1 7.679 0.012 . 1 . . 106 . A 87 LEU H . 30880 1 1068 . 1 . 1 87 87 LEU HA H 1 3.664 0.013 . 1 . . 936 . A 87 LEU HA . 30880 1 1069 . 1 . 1 87 87 LEU HB2 H 1 1.370 0.006 . 2 . . 937 . A 87 LEU HB2 . 30880 1 1070 . 1 . 1 87 87 LEU HB3 H 1 0.320 0.028 . 2 . . 938 . A 87 LEU HB3 . 30880 1 1071 . 1 . 1 87 87 LEU HG H 1 1.110 0.008 . 1 . . 940 . A 87 LEU HG . 30880 1 1072 . 1 . 1 87 87 LEU HD11 H 1 0.142 0.004 . 2 . . 1177 . A 87 LEU HD11 . 30880 1 1073 . 1 . 1 87 87 LEU HD12 H 1 0.142 0.004 . 2 . . 1177 . A 87 LEU HD12 . 30880 1 1074 . 1 . 1 87 87 LEU HD13 H 1 0.142 0.004 . 2 . . 1177 . A 87 LEU HD13 . 30880 1 1075 . 1 . 1 87 87 LEU HD21 H 1 0.136 0.003 . 2 . . 1179 . A 87 LEU HD21 . 30880 1 1076 . 1 . 1 87 87 LEU HD22 H 1 0.136 0.003 . 2 . . 1179 . A 87 LEU HD22 . 30880 1 1077 . 1 . 1 87 87 LEU HD23 H 1 0.136 0.003 . 2 . . 1179 . A 87 LEU HD23 . 30880 1 1078 . 1 . 1 87 87 LEU C C 13 179.169 . . 1 . . 278 . A 87 LEU C . 30880 1 1079 . 1 . 1 87 87 LEU CA C 13 58.077 0.081 . 1 . . 468 . A 87 LEU CA . 30880 1 1080 . 1 . 1 87 87 LEU CB C 13 40.397 0.072 . 1 . . 470 . A 87 LEU CB . 30880 1 1081 . 1 . 1 87 87 LEU CG C 13 26.525 0.093 . 1 . . 939 . A 87 LEU CG . 30880 1 1082 . 1 . 1 87 87 LEU CD1 C 13 26.523 0.102 . 2 . . 1176 . A 87 LEU CD1 . 30880 1 1083 . 1 . 1 87 87 LEU CD2 C 13 22.994 0.063 . 2 . . 1178 . A 87 LEU CD2 . 30880 1 1084 . 1 . 1 87 87 LEU N N 15 122.123 0.05 . 1 . . 105 . A 87 LEU N . 30880 1 1085 . 1 . 1 88 88 ILE H H 1 8.529 0.004 . 1 . . 53 . A 88 ILE H . 30880 1 1086 . 1 . 1 88 88 ILE HA H 1 3.658 0.012 . 1 . . 564 . A 88 ILE HA . 30880 1 1087 . 1 . 1 88 88 ILE HB H 1 1.827 0.012 . 1 . . 565 . A 88 ILE HB . 30880 1 1088 . 1 . 1 88 88 ILE HG12 H 1 0.874 0.005 . 2 . . 710 . A 88 ILE HG12 . 30880 1 1089 . 1 . 1 88 88 ILE HG13 H 1 1.742 0.002 . 2 . . 969 . A 88 ILE HG13 . 30880 1 1090 . 1 . 1 88 88 ILE HG21 H 1 0.931 0.005 . 1 . . 707 . A 88 ILE HG21 . 30880 1 1091 . 1 . 1 88 88 ILE HG22 H 1 0.931 0.005 . 1 . . 707 . A 88 ILE HG22 . 30880 1 1092 . 1 . 1 88 88 ILE HG23 H 1 0.931 0.005 . 1 . . 707 . A 88 ILE HG23 . 30880 1 1093 . 1 . 1 88 88 ILE HD11 H 1 0.764 0.007 . 1 . . 712 . A 88 ILE HD11 . 30880 1 1094 . 1 . 1 88 88 ILE HD12 H 1 0.764 0.007 . 1 . . 712 . A 88 ILE HD12 . 30880 1 1095 . 1 . 1 88 88 ILE HD13 H 1 0.764 0.007 . 1 . . 712 . A 88 ILE HD13 . 30880 1 1096 . 1 . 1 88 88 ILE C C 13 178.865 . . 1 . . 616 . A 88 ILE C . 30880 1 1097 . 1 . 1 88 88 ILE CA C 13 65.867 0.065 . 1 . . 358 . A 88 ILE CA . 30880 1 1098 . 1 . 1 88 88 ILE CB C 13 38.861 0.075 . 1 . . 422 . A 88 ILE CB . 30880 1 1099 . 1 . 1 88 88 ILE CG1 C 13 30.577 0.048 . 1 . . 709 . A 88 ILE CG1 . 30880 1 1100 . 1 . 1 88 88 ILE CG2 C 13 16.930 0.026 . 1 . . 706 . A 88 ILE CG2 . 30880 1 1101 . 1 . 1 88 88 ILE CD1 C 13 13.917 0.048 . 1 . . 708 . A 88 ILE CD1 . 30880 1 1102 . 1 . 1 88 88 ILE N N 15 120.660 0.08 . 1 . . 54 . A 88 ILE N . 30880 1 1103 . 1 . 1 89 89 GLN H H 1 7.907 0.008 . 1 . . 73 . A 89 GLN H . 30880 1 1104 . 1 . 1 89 89 GLN HA H 1 4.128 0.01 . 1 . . 803 . A 89 GLN HA . 30880 1 1105 . 1 . 1 89 89 GLN HB2 H 1 2.144 0.002 . 2 . . 804 . A 89 GLN HB2 . 30880 1 1106 . 1 . 1 89 89 GLN HB3 H 1 2.174 . . 2 . . 1236 . A 89 GLN HB3 . 30880 1 1107 . 1 . 1 89 89 GLN HG2 H 1 2.376 0.007 . 2 . . 806 . A 89 GLN HG2 . 30880 1 1108 . 1 . 1 89 89 GLN HG3 H 1 2.302 0.008 . 2 . . 807 . A 89 GLN HG3 . 30880 1 1109 . 1 . 1 89 89 GLN C C 13 178.287 . . 1 . . 640 . A 89 GLN C . 30880 1 1110 . 1 . 1 89 89 GLN CA C 13 58.316 0.081 . 1 . . 349 . A 89 GLN CA . 30880 1 1111 . 1 . 1 89 89 GLN CB C 13 28.657 0.057 . 1 . . 401 . A 89 GLN CB . 30880 1 1112 . 1 . 1 89 89 GLN CG C 13 33.941 0.01 . 1 . . 805 . A 89 GLN CG . 30880 1 1113 . 1 . 1 89 89 GLN N N 15 117.975 0.067 . 1 . . 74 . A 89 GLN N . 30880 1 1114 . 1 . 1 90 90 THR H H 1 7.962 0.009 . 1 . . 171 . A 90 THR H . 30880 1 1115 . 1 . 1 90 90 THR HA H 1 4.261 0.009 . 1 . . 932 . A 90 THR HA . 30880 1 1116 . 1 . 1 90 90 THR HB H 1 4.390 0.003 . 1 . . 934 . A 90 THR HB . 30880 1 1117 . 1 . 1 90 90 THR HG21 H 1 1.334 0.008 . 1 . . 935 . A 90 THR HG21 . 30880 1 1118 . 1 . 1 90 90 THR HG22 H 1 1.334 0.008 . 1 . . 935 . A 90 THR HG22 . 30880 1 1119 . 1 . 1 90 90 THR HG23 H 1 1.334 0.008 . 1 . . 935 . A 90 THR HG23 . 30880 1 1120 . 1 . 1 90 90 THR C C 13 175.851 . . 1 . . 273 . A 90 THR C . 30880 1 1121 . 1 . 1 90 90 THR CA C 13 64.440 0.085 . 1 . . 298 . A 90 THR CA . 30880 1 1122 . 1 . 1 90 90 THR CB C 13 69.645 0.061 . 1 . . 402 . A 90 THR CB . 30880 1 1123 . 1 . 1 90 90 THR CG2 C 13 21.382 0.016 . 1 . . 933 . A 90 THR CG2 . 30880 1 1124 . 1 . 1 90 90 THR N N 15 111.574 0.053 . 1 . . 170 . A 90 THR N . 30880 1 1125 . 1 . 1 91 91 GLN H H 1 7.863 0.012 . 1 . . 107 . A 91 GLN H . 30880 1 1126 . 1 . 1 91 91 GLN HA H 1 4.410 0.003 . 1 . . 691 . A 91 GLN HA . 30880 1 1127 . 1 . 1 91 91 GLN HB2 H 1 2.371 0.006 . 2 . . 693 . A 91 GLN HB2 . 30880 1 1128 . 1 . 1 91 91 GLN HB3 H 1 2.257 0.003 . 2 . . 694 . A 91 GLN HB3 . 30880 1 1129 . 1 . 1 91 91 GLN HG2 H 1 2.581 0.007 . 2 . . 695 . A 91 GLN HG2 . 30880 1 1130 . 1 . 1 91 91 GLN HG3 H 1 2.610 . . 2 . . 1237 . A 91 GLN HG3 . 30880 1 1131 . 1 . 1 91 91 GLN HE21 H 1 7.696 0.001 . 1 . . 1312 . A 91 GLN HE21 . 30880 1 1132 . 1 . 1 91 91 GLN HE22 H 1 6.842 0.001 . 1 . . 1314 . A 91 GLN HE22 . 30880 1 1133 . 1 . 1 91 91 GLN C C 13 176.114 . . 1 . . 224 . A 91 GLN C . 30880 1 1134 . 1 . 1 91 91 GLN CA C 13 56.854 0.072 . 1 . . 359 . A 91 GLN CA . 30880 1 1135 . 1 . 1 91 91 GLN CB C 13 29.182 0.036 . 1 . . 419 . A 91 GLN CB . 30880 1 1136 . 1 . 1 91 91 GLN CG C 13 34.418 0.019 . 1 . . 692 . A 91 GLN CG . 30880 1 1137 . 1 . 1 91 91 GLN N N 15 121.217 0.074 . 1 . . 108 . A 91 GLN N . 30880 1 1138 . 1 . 1 91 91 GLN NE2 N 15 113.310 0.02 . 1 . . 1311 . A 91 GLN NE2 . 30880 1 1139 . 1 . 1 92 92 ALA H H 1 7.904 0.012 . 1 . . 101 . A 92 ALA H . 30880 1 1140 . 1 . 1 92 92 ALA HA H 1 4.381 0.016 . 1 . . 536 . A 92 ALA HA . 30880 1 1141 . 1 . 1 92 92 ALA HB1 H 1 1.521 0.006 . 1 . . 537 . A 92 ALA HB1 . 30880 1 1142 . 1 . 1 92 92 ALA HB2 H 1 1.521 0.006 . 1 . . 537 . A 92 ALA HB2 . 30880 1 1143 . 1 . 1 92 92 ALA HB3 H 1 1.521 0.006 . 1 . . 537 . A 92 ALA HB3 . 30880 1 1144 . 1 . 1 92 92 ALA C C 13 177.751 . . 1 . . 621 . A 92 ALA C . 30880 1 1145 . 1 . 1 92 92 ALA CA C 13 53.009 0.094 . 1 . . 367 . A 92 ALA CA . 30880 1 1146 . 1 . 1 92 92 ALA CB C 13 19.100 0.122 . 1 . . 418 . A 92 ALA CB . 30880 1 1147 . 1 . 1 92 92 ALA N N 15 122.572 0.059 . 1 . . 102 . A 92 ALA N . 30880 1 1148 . 1 . 1 93 93 GLN H H 1 8.004 0.014 . 1 . . 57 . A 93 GLN H . 30880 1 1149 . 1 . 1 93 93 GLN HA H 1 4.388 0.013 . 1 . . 798 . A 93 GLN HA . 30880 1 1150 . 1 . 1 93 93 GLN HB2 H 1 2.081 0.0 . 2 . . 799 . A 93 GLN HB2 . 30880 1 1151 . 1 . 1 93 93 GLN HB3 H 1 2.185 0.0 . 2 . . 800 . A 93 GLN HB3 . 30880 1 1152 . 1 . 1 93 93 GLN HG2 H 1 2.461 0.011 . 2 . . 802 . A 93 GLN HG2 . 30880 1 1153 . 1 . 1 93 93 GLN HG3 H 1 2.416 . . 2 . . 1238 . A 93 GLN HG3 . 30880 1 1154 . 1 . 1 93 93 GLN HE21 H 1 7.523 0.002 . 1 . . 1321 . A 93 GLN HE21 . 30880 1 1155 . 1 . 1 93 93 GLN HE22 H 1 6.859 0.002 . 1 . . 1323 . A 93 GLN HE22 . 30880 1 1156 . 1 . 1 93 93 GLN C C 13 175.813 . . 1 . . 226 . A 93 GLN C . 30880 1 1157 . 1 . 1 93 93 GLN CA C 13 55.726 0.086 . 1 . . 340 . A 93 GLN CA . 30880 1 1158 . 1 . 1 93 93 GLN CB C 13 29.256 0.044 . 1 . . 399 . A 93 GLN CB . 30880 1 1159 . 1 . 1 93 93 GLN CG C 13 33.885 0.005 . 1 . . 801 . A 93 GLN CG . 30880 1 1160 . 1 . 1 93 93 GLN N N 15 118.034 0.099 . 1 . . 58 . A 93 GLN N . 30880 1 1161 . 1 . 1 93 93 GLN NE2 N 15 112.068 0.017 . 1 . . 1320 . A 93 GLN NE2 . 30880 1 1162 . 1 . 1 94 94 ILE H H 1 8.065 0.009 . 1 . . 97 . A 94 ILE H . 30880 1 1163 . 1 . 1 94 94 ILE HA H 1 4.509 0.011 . 1 . . 513 . A 94 ILE HA . 30880 1 1164 . 1 . 1 94 94 ILE HB H 1 1.970 0.007 . 1 . . 514 . A 94 ILE HB . 30880 1 1165 . 1 . 1 94 94 ILE HG12 H 1 1.639 0.006 . 2 . . 515 . A 94 ILE HG12 . 30880 1 1166 . 1 . 1 94 94 ILE HG13 H 1 1.272 0.009 . 2 . . 516 . A 94 ILE HG13 . 30880 1 1167 . 1 . 1 94 94 ILE HG21 H 1 1.024 0.004 . 1 . . 517 . A 94 ILE HG21 . 30880 1 1168 . 1 . 1 94 94 ILE HG22 H 1 1.024 0.004 . 1 . . 517 . A 94 ILE HG22 . 30880 1 1169 . 1 . 1 94 94 ILE HG23 H 1 1.024 0.004 . 1 . . 517 . A 94 ILE HG23 . 30880 1 1170 . 1 . 1 94 94 ILE HD11 H 1 0.938 0.002 . 1 . . 668 . A 94 ILE HD11 . 30880 1 1171 . 1 . 1 94 94 ILE HD12 H 1 0.938 0.002 . 1 . . 668 . A 94 ILE HD12 . 30880 1 1172 . 1 . 1 94 94 ILE HD13 H 1 0.938 0.002 . 1 . . 668 . A 94 ILE HD13 . 30880 1 1173 . 1 . 1 94 94 ILE CA C 13 58.932 0.048 . 1 . . 368 . A 94 ILE CA . 30880 1 1174 . 1 . 1 94 94 ILE CB C 13 38.514 0.044 . 1 . . 400 . A 94 ILE CB . 30880 1 1175 . 1 . 1 94 94 ILE CG1 C 13 27.157 0.042 . 1 . . 665 . A 94 ILE CG1 . 30880 1 1176 . 1 . 1 94 94 ILE CG2 C 13 17.129 0.021 . 1 . . 666 . A 94 ILE CG2 . 30880 1 1177 . 1 . 1 94 94 ILE CD1 C 13 12.783 0.061 . 1 . . 667 . A 94 ILE CD1 . 30880 1 1178 . 1 . 1 94 94 ILE N N 15 123.500 0.057 . 1 . . 98 . A 94 ILE N . 30880 1 1179 . 1 . 1 95 95 PRO HA H 1 4.515 . . 1 . . 1005 . A 95 PRO HA . 30880 1 1180 . 1 . 1 95 95 PRO HB2 H 1 2.352 . . 2 . . 1006 . A 95 PRO HB2 . 30880 1 1181 . 1 . 1 95 95 PRO HB3 H 1 1.973 . . 2 . . 1007 . A 95 PRO HB3 . 30880 1 1182 . 1 . 1 95 95 PRO HG2 H 1 2.088 . . 2 . . 1003 . A 95 PRO HG2 . 30880 1 1183 . 1 . 1 95 95 PRO HG3 H 1 2.026 . . 2 . . 1239 . A 95 PRO HG3 . 30880 1 1184 . 1 . 1 95 95 PRO HD2 H 1 3.970 . . 2 . . 1010 . A 95 PRO HD2 . 30880 1 1185 . 1 . 1 95 95 PRO HD3 H 1 3.750 . . 2 . . 1011 . A 95 PRO HD3 . 30880 1 1186 . 1 . 1 95 95 PRO C C 13 176.889 . . 1 . . 629 . A 95 PRO C . 30880 1 1187 . 1 . 1 95 95 PRO CA C 13 63.287 0.015 . 1 . . 1004 . A 95 PRO CA . 30880 1 1188 . 1 . 1 95 95 PRO CB C 13 32.191 0.03 . 1 . . 865 . A 95 PRO CB . 30880 1 1189 . 1 . 1 95 95 PRO CG C 13 27.409 0.018 . 1 . . 1008 . A 95 PRO CG . 30880 1 1190 . 1 . 1 95 95 PRO CD C 13 51.085 0.021 . 1 . . 1009 . A 95 PRO CD . 30880 1 1191 . 1 . 1 96 96 SER H H 1 8.336 0.002 . 1 . . 35 . A 96 SER H . 30880 1 1192 . 1 . 1 96 96 SER HA H 1 4.488 0.009 . 1 . . 873 . A 96 SER HA . 30880 1 1193 . 1 . 1 96 96 SER HB2 H 1 3.919 0.02 . 2 . . 874 . A 96 SER HB2 . 30880 1 1194 . 1 . 1 96 96 SER HB3 H 1 3.950 . . 2 . . 1240 . A 96 SER HB3 . 30880 1 1195 . 1 . 1 96 96 SER C C 13 174.278 . . 1 . . 227 . A 96 SER C . 30880 1 1196 . 1 . 1 96 96 SER CA C 13 58.339 0.079 . 1 . . 320 . A 96 SER CA . 30880 1 1197 . 1 . 1 96 96 SER CB C 13 64.029 0.096 . 1 . . 483 . A 96 SER CB . 30880 1 1198 . 1 . 1 96 96 SER N N 15 116.207 0.027 . 1 . . 36 . A 96 SER N . 30880 1 1199 . 1 . 1 97 97 ARG H H 1 8.279 0.005 . 1 . . 84 . A 97 ARG H . 30880 1 1200 . 1 . 1 97 97 ARG HA H 1 4.723 0.012 . 1 . . 866 . A 97 ARG HA . 30880 1 1201 . 1 . 1 97 97 ARG HB2 H 1 1.871 0.001 . 2 . . 867 . A 97 ARG HB2 . 30880 1 1202 . 1 . 1 97 97 ARG HB3 H 1 1.758 0.001 . 2 . . 868 . A 97 ARG HB3 . 30880 1 1203 . 1 . 1 97 97 ARG HG2 H 1 1.700 0.001 . 2 . . 872 . A 97 ARG HG2 . 30880 1 1204 . 1 . 1 97 97 ARG HG3 H 1 1.799 . . 2 . . 1241 . A 97 ARG HG3 . 30880 1 1205 . 1 . 1 97 97 ARG HD2 H 1 3.243 0.015 . 2 . . 871 . A 97 ARG HD2 . 30880 1 1206 . 1 . 1 97 97 ARG HD3 H 1 3.306 . . 2 . . 1242 . A 97 ARG HD3 . 30880 1 1207 . 1 . 1 97 97 ARG CA C 13 53.873 0.071 . 1 . . 445 . A 97 ARG CA . 30880 1 1208 . 1 . 1 97 97 ARG CB C 13 30.385 0.033 . 1 . . 446 . A 97 ARG CB . 30880 1 1209 . 1 . 1 97 97 ARG CG C 13 26.796 0.026 . 1 . . 870 . A 97 ARG CG . 30880 1 1210 . 1 . 1 97 97 ARG CD C 13 43.354 0.021 . 1 . . 869 . A 97 ARG CD . 30880 1 1211 . 1 . 1 97 97 ARG N N 15 123.523 0.029 . 1 . . 83 . A 97 ARG N . 30880 1 1212 . 1 . 1 98 98 PRO HA H 1 4.415 . . 1 . . 995 . A 98 PRO HA . 30880 1 1213 . 1 . 1 98 98 PRO HB2 H 1 2.303 . . 2 . . 996 . A 98 PRO HB2 . 30880 1 1214 . 1 . 1 98 98 PRO HB3 H 1 1.848 . . 2 . . 997 . A 98 PRO HB3 . 30880 1 1215 . 1 . 1 98 98 PRO HG2 H 1 2.027 . . 2 . . 1002 . A 98 PRO HG2 . 30880 1 1216 . 1 . 1 98 98 PRO HG3 H 1 1.987 . . 2 . . 1243 . A 98 PRO HG3 . 30880 1 1217 . 1 . 1 98 98 PRO HD2 H 1 3.645 0.004 . 2 . . 999 . A 98 PRO HD2 . 30880 1 1218 . 1 . 1 98 98 PRO HD3 H 1 3.833 0.0 . 2 . . 1000 . A 98 PRO HD3 . 30880 1 1219 . 1 . 1 98 98 PRO C C 13 176.580 . . 1 . . 229 . A 98 PRO C . 30880 1 1220 . 1 . 1 98 98 PRO CA C 13 63.098 0.022 . 1 . . 309 . A 98 PRO CA . 30880 1 1221 . 1 . 1 98 98 PRO CB C 13 32.099 0.036 . 1 . . 508 . A 98 PRO CB . 30880 1 1222 . 1 . 1 98 98 PRO CG C 13 27.386 0.01 . 1 . . 1001 . A 98 PRO CG . 30880 1 1223 . 1 . 1 98 98 PRO CD C 13 50.654 0.024 . 1 . . 998 . A 98 PRO CD . 30880 1 1224 . 1 . 1 99 99 ALA H H 1 8.390 0.004 . 1 . . 19 . A 99 ALA H . 30880 1 1225 . 1 . 1 99 99 ALA HA H 1 4.289 0.01 . 1 . . 530 . A 99 ALA HA . 30880 1 1226 . 1 . 1 99 99 ALA HB1 H 1 1.346 0.008 . 1 . . 528 . A 99 ALA HB1 . 30880 1 1227 . 1 . 1 99 99 ALA HB2 H 1 1.346 0.008 . 1 . . 528 . A 99 ALA HB2 . 30880 1 1228 . 1 . 1 99 99 ALA HB3 H 1 1.346 0.008 . 1 . . 528 . A 99 ALA HB3 . 30880 1 1229 . 1 . 1 99 99 ALA C C 13 177.499 . . 1 . . 625 . A 99 ALA C . 30880 1 1230 . 1 . 1 99 99 ALA CA C 13 52.418 0.061 . 1 . . 310 . A 99 ALA CA . 30880 1 1231 . 1 . 1 99 99 ALA CB C 13 19.321 0.076 . 1 . . 417 . A 99 ALA CB . 30880 1 1232 . 1 . 1 99 99 ALA N N 15 124.256 0.015 . 1 . . 20 . A 99 ALA N . 30880 1 stop_ save_