data_30245 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30245 _Entry.Title ; Solution structure of the IreB homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-13 _Entry.Accession_date 2017-02-13 _Entry.Last_release_date 2017-03-16 _Entry.Original_release_date 2017-03-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Lytle B. L. . . 30245 2 F. Peterson F. C. . . 30245 3 B. Volkman B. F. . . 30245 4 C. Kristich C. J. . . 30245 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' CESG 30245 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CESG . 30245 'Center for Eukaryotic Structural Genomics' . 30245 IreB . 30245 PSI-2 . 30245 'Protein Structure Initiative' . 30245 'Structural Genomics' . 30245 'Structure from MOLMOL' . 30245 dimer . 30245 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30245 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 750 30245 '15N chemical shifts' 176 30245 '1H chemical shifts' 1180 30245 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-15 2017-02-13 update BMRB 'update entry citation' 30245 1 . . 2017-06-08 2017-02-13 original author 'original release' 30245 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5US5 'BMRB Entry Tracking System' 30245 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30245 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28551334 _Citation.Full_citation . _Citation.Title ; Structure and dimerization of IreB, a negative regulator of cephalosporin resistance in Enterococcus faecalis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 429 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 2324 _Citation.Page_last 2336 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Hall C. L. . . 30245 1 2 B. Lytle B. L. . . 30245 1 3 D. Jensen D. R. . . 30245 1 4 J. Hoff J. S. . . 30245 1 5 F. Peterson F. C. . . 30245 1 6 B. Volkman B. F. . . 30245 1 7 C. Kristich C. J. . . 30245 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30245 _Assembly.ID 1 _Assembly.Name 'UPF0297 protein EF_1202' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, chain 1' 1 $entity_1 A A yes . . . . . . 30245 1 2 'entity_1, chain 2' 1 $entity_1 B B yes . . . . . . 30245 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30245 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGFTDETVRFDFDDNRKKAI SETLETVYRALEEKGYNPIN QIVGYLLSGDPAYIPRYQDA RNLIRRHERDEIMEELTKYY LANHGIDIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10559.810 _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 . 30245 1 2 . GLY . 30245 1 3 . PHE . 30245 1 4 . THR . 30245 1 5 . ASP . 30245 1 6 . GLU . 30245 1 7 . THR . 30245 1 8 . VAL . 30245 1 9 . ARG . 30245 1 10 . PHE . 30245 1 11 . ASP . 30245 1 12 . PHE . 30245 1 13 . ASP . 30245 1 14 . ASP . 30245 1 15 . ASN . 30245 1 16 . ARG . 30245 1 17 . LYS . 30245 1 18 . LYS . 30245 1 19 . ALA . 30245 1 20 . ILE . 30245 1 21 . SER . 30245 1 22 . GLU . 30245 1 23 . THR . 30245 1 24 . LEU . 30245 1 25 . GLU . 30245 1 26 . THR . 30245 1 27 . VAL . 30245 1 28 . TYR . 30245 1 29 . ARG . 30245 1 30 . ALA . 30245 1 31 . LEU . 30245 1 32 . GLU . 30245 1 33 . GLU . 30245 1 34 . LYS . 30245 1 35 . GLY . 30245 1 36 . TYR . 30245 1 37 . ASN . 30245 1 38 . PRO . 30245 1 39 . ILE . 30245 1 40 . ASN . 30245 1 41 . GLN . 30245 1 42 . ILE . 30245 1 43 . VAL . 30245 1 44 . GLY . 30245 1 45 . TYR . 30245 1 46 . LEU . 30245 1 47 . LEU . 30245 1 48 . SER . 30245 1 49 . GLY . 30245 1 50 . ASP . 30245 1 51 . PRO . 30245 1 52 . ALA . 30245 1 53 . TYR . 30245 1 54 . ILE . 30245 1 55 . PRO . 30245 1 56 . ARG . 30245 1 57 . TYR . 30245 1 58 . GLN . 30245 1 59 . ASP . 30245 1 60 . ALA . 30245 1 61 . ARG . 30245 1 62 . ASN . 30245 1 63 . LEU . 30245 1 64 . ILE . 30245 1 65 . ARG . 30245 1 66 . ARG . 30245 1 67 . HIS . 30245 1 68 . GLU . 30245 1 69 . ARG . 30245 1 70 . ASP . 30245 1 71 . GLU . 30245 1 72 . ILE . 30245 1 73 . MET . 30245 1 74 . GLU . 30245 1 75 . GLU . 30245 1 76 . LEU . 30245 1 77 . THR . 30245 1 78 . LYS . 30245 1 79 . TYR . 30245 1 80 . TYR . 30245 1 81 . LEU . 30245 1 82 . ALA . 30245 1 83 . ASN . 30245 1 84 . HIS . 30245 1 85 . GLY . 30245 1 86 . ILE . 30245 1 87 . ASP . 30245 1 88 . ILE . 30245 1 89 . LYS . 30245 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 30245 1 . GLY 2 2 30245 1 . PHE 3 3 30245 1 . THR 4 4 30245 1 . ASP 5 5 30245 1 . GLU 6 6 30245 1 . THR 7 7 30245 1 . VAL 8 8 30245 1 . ARG 9 9 30245 1 . PHE 10 10 30245 1 . ASP 11 11 30245 1 . PHE 12 12 30245 1 . ASP 13 13 30245 1 . ASP 14 14 30245 1 . ASN 15 15 30245 1 . ARG 16 16 30245 1 . LYS 17 17 30245 1 . LYS 18 18 30245 1 . ALA 19 19 30245 1 . ILE 20 20 30245 1 . SER 21 21 30245 1 . GLU 22 22 30245 1 . THR 23 23 30245 1 . LEU 24 24 30245 1 . GLU 25 25 30245 1 . THR 26 26 30245 1 . VAL 27 27 30245 1 . TYR 28 28 30245 1 . ARG 29 29 30245 1 . ALA 30 30 30245 1 . LEU 31 31 30245 1 . GLU 32 32 30245 1 . GLU 33 33 30245 1 . LYS 34 34 30245 1 . GLY 35 35 30245 1 . TYR 36 36 30245 1 . ASN 37 37 30245 1 . PRO 38 38 30245 1 . ILE 39 39 30245 1 . ASN 40 40 30245 1 . GLN 41 41 30245 1 . ILE 42 42 30245 1 . VAL 43 43 30245 1 . GLY 44 44 30245 1 . TYR 45 45 30245 1 . LEU 46 46 30245 1 . LEU 47 47 30245 1 . SER 48 48 30245 1 . GLY 49 49 30245 1 . ASP 50 50 30245 1 . PRO 51 51 30245 1 . ALA 52 52 30245 1 . TYR 53 53 30245 1 . ILE 54 54 30245 1 . PRO 55 55 30245 1 . ARG 56 56 30245 1 . TYR 57 57 30245 1 . GLN 58 58 30245 1 . ASP 59 59 30245 1 . ALA 60 60 30245 1 . ARG 61 61 30245 1 . ASN 62 62 30245 1 . LEU 63 63 30245 1 . ILE 64 64 30245 1 . ARG 65 65 30245 1 . ARG 66 66 30245 1 . HIS 67 67 30245 1 . GLU 68 68 30245 1 . ARG 69 69 30245 1 . ASP 70 70 30245 1 . GLU 71 71 30245 1 . ILE 72 72 30245 1 . MET 73 73 30245 1 . GLU 74 74 30245 1 . GLU 75 75 30245 1 . LEU 76 76 30245 1 . THR 77 77 30245 1 . LYS 78 78 30245 1 . TYR 79 79 30245 1 . TYR 80 80 30245 1 . LEU 81 81 30245 1 . ALA 82 82 30245 1 . ASN 83 83 30245 1 . HIS 84 84 30245 1 . GLY 85 85 30245 1 . ILE 86 86 30245 1 . ASP 87 87 30245 1 . ILE 88 88 30245 1 . LYS 89 89 30245 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 30245 _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 . 226185 organism . 'Enterococcus faecalis (strain ATCC 700802 / V583)' 'Enterococcus faecalis' . . Bacteria . Enterococcus faecalis 'ATCC 700802 / V583' . . . . . . . . . . EF_1202 . 30245 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 30245 _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' . . 511693 Escherichia coli BL21[pREP4] . . plasmid . . pQE30 . . . 30245 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30245 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-98% 13C; U-98% 15N] IreB, 50 mM sodium phosphate, 350 mM sodium chloride, 0.02 mg/mL sodium azide, 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 IreB '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30245 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 30245 1 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 30245 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30245 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30245 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-98% 13C; U-98% 15N] IreB, 50 mM sodium phosphate, 350 mM sodium chloride, 0.02 mg/mL sodium azid, 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 IreB '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30245 2 2 'sodium azid' 'natural abundance' . . . . . . 0.02 . . mg/mL . . . . 30245 2 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 30245 2 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30245 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30245 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 440 . mM 30245 1 pH 6.6 . pH 30245 1 pressure 1 . atm 30245 1 temperature 318 . K 30245 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30245 _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, Mumenthaler and Wuthrich' . . 30245 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30245 1 'structure calculation' 30245 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30245 _Software.ID 2 _Software.Type . _Software.Name GARANT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 30245 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30245 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30245 _Software.ID 3 _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' . . 30245 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30245 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30245 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30245 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30245 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30245 _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' . . 30245 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30245 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30245 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30245 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30245 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30245 _Software.ID 7 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30245 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30245 7 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 30245 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30245 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30245 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 30245 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30245 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30245 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30245 1 4 '3D F1-13C-filtered, F3-13C-edited NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30245 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 30245 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30245 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30245 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30245 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 30245 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 1H-15N NOESY' . . . 30245 1 2 '3D 1H-13C NOESY aliphatic' . . . 30245 1 3 '3D 1H-13C NOESY aromatic' . . . 30245 1 4 '3D F1-13C-filtered, F3-13C-edited NOESY aromatic' . . . 30245 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PHE HA H 1 4.728 0.02 . 1 . . . . A 3 PHE HA . 30245 1 2 . 1 1 3 3 PHE HB2 H 1 3.195 0.02 . 2 . . . . A 3 PHE HB2 . 30245 1 3 . 1 1 3 3 PHE HB3 H 1 3.045 0.02 . 2 . . . . A 3 PHE HB3 . 30245 1 4 . 1 1 3 3 PHE CA C 13 58.376 0.1 . 1 . . . . A 3 PHE CA . 30245 1 5 . 1 1 3 3 PHE CB C 13 40.225 0.1 . 1 . . . . A 3 PHE CB . 30245 1 6 . 1 1 4 4 THR HA H 1 4.359 0.02 . 1 . . . . A 4 THR HA . 30245 1 7 . 1 1 4 4 THR C C 13 174.241 0.1 . 1 . . . . A 4 THR C . 30245 1 8 . 1 1 4 4 THR CA C 13 62.218 0.1 . 1 . . . . A 4 THR CA . 30245 1 9 . 1 1 4 4 THR CB C 13 68.084 0.1 . 1 . . . . A 4 THR CB . 30245 1 10 . 1 1 4 4 THR CG2 C 13 21.766 0.1 . 1 . . . . A 4 THR CG2 . 30245 1 11 . 1 1 5 5 ASP H H 1 8.166 0.02 . 1 . . . . A 5 ASP H . 30245 1 12 . 1 1 5 5 ASP HA H 1 4.624 0.02 . 1 . . . . A 5 ASP HA . 30245 1 13 . 1 1 5 5 ASP HB2 H 1 2.774 0.02 . 2 . . . . A 5 ASP HB2 . 30245 1 14 . 1 1 5 5 ASP HB3 H 1 2.671 0.02 . 2 . . . . A 5 ASP HB3 . 30245 1 15 . 1 1 5 5 ASP C C 13 176.573 0.1 . 1 . . . . A 5 ASP C . 30245 1 16 . 1 1 5 5 ASP CA C 13 54.959 0.1 . 1 . . . . A 5 ASP CA . 30245 1 17 . 1 1 5 5 ASP CB C 13 41.903 0.1 . 1 . . . . A 5 ASP CB . 30245 1 18 . 1 1 5 5 ASP N N 15 122.703 0.1 . 1 . . . . A 5 ASP N . 30245 1 19 . 1 1 6 6 GLU H H 1 8.330 0.02 . 1 . . . . A 6 GLU H . 30245 1 20 . 1 1 6 6 GLU HA H 1 4.316 0.02 . 1 . . . . A 6 GLU HA . 30245 1 21 . 1 1 6 6 GLU HB2 H 1 2.109 0.02 . 2 . . . . A 6 GLU HB2 . 30245 1 22 . 1 1 6 6 GLU HB3 H 1 1.974 0.02 . 2 . . . . A 6 GLU HB3 . 30245 1 23 . 1 1 6 6 GLU HG2 H 1 2.273 0.02 . 1 . . . . A 6 GLU HG2 . 30245 1 24 . 1 1 6 6 GLU C C 13 177.039 0.1 . 1 . . . . A 6 GLU C . 30245 1 25 . 1 1 6 6 GLU CA C 13 57.445 0.1 . 1 . . . . A 6 GLU CA . 30245 1 26 . 1 1 6 6 GLU CB C 13 30.779 0.1 . 1 . . . . A 6 GLU CB . 30245 1 27 . 1 1 6 6 GLU CG C 13 37.022 0.1 . 1 . . . . A 6 GLU CG . 30245 1 28 . 1 1 6 6 GLU N N 15 121.507 0.1 . 1 . . . . A 6 GLU N . 30245 1 29 . 1 1 7 7 THR H H 1 8.142 0.02 . 1 . . . . A 7 THR H . 30245 1 30 . 1 1 7 7 THR HA H 1 4.289 0.02 . 1 . . . . A 7 THR HA . 30245 1 31 . 1 1 7 7 THR HB H 1 4.170 0.02 . 1 . . . . A 7 THR HB . 30245 1 32 . 1 1 7 7 THR HG21 H 1 1.168 0.02 . 1 . . . . A 7 THR HG21 . 30245 1 33 . 1 1 7 7 THR HG22 H 1 1.168 0.02 . 1 . . . . A 7 THR HG22 . 30245 1 34 . 1 1 7 7 THR HG23 H 1 1.168 0.02 . 1 . . . . A 7 THR HG23 . 30245 1 35 . 1 1 7 7 THR C C 13 174.893 0.1 . 1 . . . . A 7 THR C . 30245 1 36 . 1 1 7 7 THR CA C 13 63.131 0.1 . 1 . . . . A 7 THR CA . 30245 1 37 . 1 1 7 7 THR CB C 13 70.469 0.1 . 1 . . . . A 7 THR CB . 30245 1 38 . 1 1 7 7 THR CG2 C 13 22.277 0.1 . 1 . . . . A 7 THR CG2 . 30245 1 39 . 1 1 7 7 THR N N 15 115.417 0.1 . 1 . . . . A 7 THR N . 30245 1 40 . 1 1 8 8 VAL H H 1 7.896 0.02 . 1 . . . . A 8 VAL H . 30245 1 41 . 1 1 8 8 VAL HA H 1 4.066 0.02 . 1 . . . . A 8 VAL HA . 30245 1 42 . 1 1 8 8 VAL HB H 1 1.952 0.02 . 1 . . . . A 8 VAL HB . 30245 1 43 . 1 1 8 8 VAL HG11 H 1 0.831 0.02 . 2 . . . . A 8 VAL HG11 . 30245 1 44 . 1 1 8 8 VAL HG12 H 1 0.831 0.02 . 2 . . . . A 8 VAL HG12 . 30245 1 45 . 1 1 8 8 VAL HG13 H 1 0.831 0.02 . 2 . . . . A 8 VAL HG13 . 30245 1 46 . 1 1 8 8 VAL HG21 H 1 0.775 0.02 . 2 . . . . A 8 VAL HG21 . 30245 1 47 . 1 1 8 8 VAL HG22 H 1 0.775 0.02 . 2 . . . . A 8 VAL HG22 . 30245 1 48 . 1 1 8 8 VAL HG23 H 1 0.775 0.02 . 2 . . . . A 8 VAL HG23 . 30245 1 49 . 1 1 8 8 VAL C C 13 175.724 0.1 . 1 . . . . A 8 VAL C . 30245 1 50 . 1 1 8 8 VAL CA C 13 62.707 0.1 . 1 . . . . A 8 VAL CA . 30245 1 51 . 1 1 8 8 VAL CB C 13 33.136 0.1 . 1 . . . . A 8 VAL CB . 30245 1 52 . 1 1 8 8 VAL CG1 C 13 21.344 0.1 . 1 . . . . A 8 VAL CG1 . 30245 1 53 . 1 1 8 8 VAL CG2 C 13 21.717 0.1 . 1 . . . . A 8 VAL CG2 . 30245 1 54 . 1 1 8 8 VAL N N 15 122.882 0.1 . 1 . . . . A 8 VAL N . 30245 1 55 . 1 1 9 9 ARG H H 1 8.012 0.02 . 1 . . . . A 9 ARG H . 30245 1 56 . 1 1 9 9 ARG HA H 1 4.309 0.02 . 1 . . . . A 9 ARG HA . 30245 1 57 . 1 1 9 9 ARG HB2 H 1 1.701 0.02 . 2 . . . . A 9 ARG HB2 . 30245 1 58 . 1 1 9 9 ARG HB3 H 1 1.640 0.02 . 2 . . . . A 9 ARG HB3 . 30245 1 59 . 1 1 9 9 ARG HG2 H 1 1.509 0.02 . 2 . . . . A 9 ARG HG2 . 30245 1 60 . 1 1 9 9 ARG HG3 H 1 1.420 0.02 . 2 . . . . A 9 ARG HG3 . 30245 1 61 . 1 1 9 9 ARG HD2 H 1 3.118 0.02 . 1 . . . . A 9 ARG HD2 . 30245 1 62 . 1 1 9 9 ARG C C 13 176.000 0.1 . 1 . . . . A 9 ARG C . 30245 1 63 . 1 1 9 9 ARG CA C 13 56.145 0.1 . 1 . . . . A 9 ARG CA . 30245 1 64 . 1 1 9 9 ARG CB C 13 31.835 0.1 . 1 . . . . A 9 ARG CB . 30245 1 65 . 1 1 9 9 ARG CG C 13 27.876 0.1 . 1 . . . . A 9 ARG CG . 30245 1 66 . 1 1 9 9 ARG CD C 13 43.809 0.1 . 1 . . . . A 9 ARG CD . 30245 1 67 . 1 1 9 9 ARG N N 15 124.175 0.1 . 1 . . . . A 9 ARG N . 30245 1 68 . 1 1 10 10 PHE H H 1 8.226 0.02 . 1 . . . . A 10 PHE H . 30245 1 69 . 1 1 10 10 PHE HA H 1 4.615 0.02 . 1 . . . . A 10 PHE HA . 30245 1 70 . 1 1 10 10 PHE HB2 H 1 3.043 0.02 . 2 . . . . A 10 PHE HB2 . 30245 1 71 . 1 1 10 10 PHE HB3 H 1 2.859 0.02 . 2 . . . . A 10 PHE HB3 . 30245 1 72 . 1 1 10 10 PHE HD1 H 1 7.174 0.02 . 1 . . . . A 10 PHE HD1 . 30245 1 73 . 1 1 10 10 PHE HD2 H 1 7.174 0.02 . 1 . . . . A 10 PHE HD2 . 30245 1 74 . 1 1 10 10 PHE C C 13 175.407 0.1 . 1 . . . . A 10 PHE C . 30245 1 75 . 1 1 10 10 PHE CA C 13 58.044 0.1 . 1 . . . . A 10 PHE CA . 30245 1 76 . 1 1 10 10 PHE CB C 13 40.125 0.1 . 1 . . . . A 10 PHE CB . 30245 1 77 . 1 1 10 10 PHE CD1 C 13 132.309 0.1 . 1 . . . . A 10 PHE CD1 . 30245 1 78 . 1 1 10 10 PHE N N 15 121.954 0.1 . 1 . . . . A 10 PHE N . 30245 1 79 . 1 1 11 11 ASP H H 1 8.148 0.02 . 1 . . . . A 11 ASP H . 30245 1 80 . 1 1 11 11 ASP HA H 1 4.571 0.02 . 1 . . . . A 11 ASP HA . 30245 1 81 . 1 1 11 11 ASP HB2 H 1 2.564 0.02 . 1 . . . . A 11 ASP HB2 . 30245 1 82 . 1 1 11 11 ASP C C 13 176.000 0.1 . 1 . . . . A 11 ASP C . 30245 1 83 . 1 1 11 11 ASP CA C 13 54.553 0.1 . 1 . . . . A 11 ASP CA . 30245 1 84 . 1 1 11 11 ASP CB C 13 41.889 0.1 . 1 . . . . A 11 ASP CB . 30245 1 85 . 1 1 11 11 ASP N N 15 121.918 0.1 . 1 . . . . A 11 ASP N . 30245 1 86 . 1 1 12 12 PHE H H 1 7.958 0.02 . 1 . . . . A 12 PHE H . 30245 1 87 . 1 1 12 12 PHE HA H 1 4.558 0.02 . 1 . . . . A 12 PHE HA . 30245 1 88 . 1 1 12 12 PHE HB2 H 1 3.167 0.02 . 2 . . . . A 12 PHE HB2 . 30245 1 89 . 1 1 12 12 PHE HB3 H 1 3.032 0.02 . 2 . . . . A 12 PHE HB3 . 30245 1 90 . 1 1 12 12 PHE HD1 H 1 7.271 0.02 . 1 . . . . A 12 PHE HD1 . 30245 1 91 . 1 1 12 12 PHE HD2 H 1 7.271 0.02 . 1 . . . . A 12 PHE HD2 . 30245 1 92 . 1 1 12 12 PHE C C 13 175.947 0.1 . 1 . . . . A 12 PHE C . 30245 1 93 . 1 1 12 12 PHE CA C 13 58.541 0.1 . 1 . . . . A 12 PHE CA . 30245 1 94 . 1 1 12 12 PHE CB C 13 40.094 0.1 . 1 . . . . A 12 PHE CB . 30245 1 95 . 1 1 12 12 PHE CD1 C 13 132.309 0.1 . 1 . . . . A 12 PHE CD1 . 30245 1 96 . 1 1 12 12 PHE N N 15 120.505 0.1 . 1 . . . . A 12 PHE N . 30245 1 97 . 1 1 13 13 ASP H H 1 8.193 0.02 . 1 . . . . A 13 ASP H . 30245 1 98 . 1 1 13 13 ASP HA H 1 4.580 0.02 . 1 . . . . A 13 ASP HA . 30245 1 99 . 1 1 13 13 ASP HB2 H 1 2.667 0.02 . 1 . . . . A 13 ASP HB2 . 30245 1 100 . 1 1 13 13 ASP C C 13 176.487 0.1 . 1 . . . . A 13 ASP C . 30245 1 101 . 1 1 13 13 ASP CA C 13 55.165 0.1 . 1 . . . . A 13 ASP CA . 30245 1 102 . 1 1 13 13 ASP CB C 13 42.280 0.1 . 1 . . . . A 13 ASP CB . 30245 1 103 . 1 1 13 13 ASP N N 15 121.885 0.1 . 1 . . . . A 13 ASP N . 30245 1 104 . 1 1 14 14 ASP H H 1 8.124 0.02 . 1 . . . . A 14 ASP H . 30245 1 105 . 1 1 14 14 ASP HA H 1 4.516 0.02 . 1 . . . . A 14 ASP HA . 30245 1 106 . 1 1 14 14 ASP HB2 H 1 2.687 0.02 . 1 . . . . A 14 ASP HB2 . 30245 1 107 . 1 1 14 14 ASP C C 13 177.039 0.1 . 1 . . . . A 14 ASP C . 30245 1 108 . 1 1 14 14 ASP CA C 13 55.539 0.1 . 1 . . . . A 14 ASP CA . 30245 1 109 . 1 1 14 14 ASP CB C 13 41.856 0.1 . 1 . . . . A 14 ASP CB . 30245 1 110 . 1 1 14 14 ASP N N 15 121.296 0.1 . 1 . . . . A 14 ASP N . 30245 1 111 . 1 1 15 15 ASN H H 1 8.320 0.02 . 1 . . . . A 15 ASN H . 30245 1 112 . 1 1 15 15 ASN HA H 1 4.628 0.02 . 1 . . . . A 15 ASN HA . 30245 1 113 . 1 1 15 15 ASN HB2 H 1 2.827 0.02 . 1 . . . . A 15 ASN HB2 . 30245 1 114 . 1 1 15 15 ASN HD21 H 1 7.434 0.02 . 2 . . . . A 15 ASN HD21 . 30245 1 115 . 1 1 15 15 ASN HD22 H 1 6.747 0.02 . 2 . . . . A 15 ASN HD22 . 30245 1 116 . 1 1 15 15 ASN C C 13 176.256 0.1 . 1 . . . . A 15 ASN C . 30245 1 117 . 1 1 15 15 ASN CA C 13 54.629 0.1 . 1 . . . . A 15 ASN CA . 30245 1 118 . 1 1 15 15 ASN CB C 13 39.216 0.1 . 1 . . . . A 15 ASN CB . 30245 1 119 . 1 1 15 15 ASN N N 15 118.912 0.1 . 1 . . . . A 15 ASN N . 30245 1 120 . 1 1 15 15 ASN ND2 N 15 112.142 0.1 . 1 . . . . A 15 ASN ND2 . 30245 1 121 . 1 1 16 16 ARG H H 1 8.006 0.02 . 1 . . . . A 16 ARG H . 30245 1 122 . 1 1 16 16 ARG HA H 1 4.242 0.02 . 1 . . . . A 16 ARG HA . 30245 1 123 . 1 1 16 16 ARG HB2 H 1 1.896 0.02 . 2 . . . . A 16 ARG HB2 . 30245 1 124 . 1 1 16 16 ARG HB3 H 1 1.818 0.02 . 2 . . . . A 16 ARG HB3 . 30245 1 125 . 1 1 16 16 ARG HG2 H 1 1.616 0.02 . 1 . . . . A 16 ARG HG2 . 30245 1 126 . 1 1 16 16 ARG HD2 H 1 3.207 0.02 . 1 . . . . A 16 ARG HD2 . 30245 1 127 . 1 1 16 16 ARG C C 13 177.099 0.1 . 1 . . . . A 16 ARG C . 30245 1 128 . 1 1 16 16 ARG CA C 13 57.776 0.1 . 1 . . . . A 16 ARG CA . 30245 1 129 . 1 1 16 16 ARG CB C 13 30.861 0.1 . 1 . . . . A 16 ARG CB . 30245 1 130 . 1 1 16 16 ARG CG C 13 27.690 0.1 . 1 . . . . A 16 ARG CG . 30245 1 131 . 1 1 16 16 ARG CD C 13 43.809 0.1 . 1 . . . . A 16 ARG CD . 30245 1 132 . 1 1 16 16 ARG N N 15 120.924 0.1 . 1 . . . . A 16 ARG N . 30245 1 133 . 1 1 17 17 LYS H H 1 8.114 0.02 . 1 . . . . A 17 LYS H . 30245 1 134 . 1 1 17 17 LYS HA H 1 4.138 0.02 . 1 . . . . A 17 LYS HA . 30245 1 135 . 1 1 17 17 LYS HB2 H 1 1.852 0.02 . 2 . . . . A 17 LYS HB2 . 30245 1 136 . 1 1 17 17 LYS HB3 H 1 1.812 0.02 . 2 . . . . A 17 LYS HB3 . 30245 1 137 . 1 1 17 17 LYS HG2 H 1 1.424 0.02 . 1 . . . . A 17 LYS HG2 . 30245 1 138 . 1 1 17 17 LYS HD2 H 1 1.681 0.02 . 1 . . . . A 17 LYS HD2 . 30245 1 139 . 1 1 17 17 LYS HE2 H 1 3.010 0.02 . 1 . . . . A 17 LYS HE2 . 30245 1 140 . 1 1 17 17 LYS C C 13 177.602 0.1 . 1 . . . . A 17 LYS C . 30245 1 141 . 1 1 17 17 LYS CA C 13 57.985 0.1 . 1 . . . . A 17 LYS CA . 30245 1 142 . 1 1 17 17 LYS CB C 13 33.277 0.1 . 1 . . . . A 17 LYS CB . 30245 1 143 . 1 1 17 17 LYS CG C 13 25.637 0.1 . 1 . . . . A 17 LYS CG . 30245 1 144 . 1 1 17 17 LYS CD C 13 29.566 0.1 . 1 . . . . A 17 LYS CD . 30245 1 145 . 1 1 17 17 LYS N N 15 121.442 0.1 . 1 . . . . A 17 LYS N . 30245 1 146 . 1 1 18 18 LYS H H 1 8.120 0.02 . 1 . . . . A 18 LYS H . 30245 1 147 . 1 1 18 18 LYS HA H 1 4.309 0.02 . 1 . . . . A 18 LYS HA . 30245 1 148 . 1 1 18 18 LYS HB2 H 1 1.867 0.02 . 2 . . . . A 18 LYS HB2 . 30245 1 149 . 1 1 18 18 LYS HB3 H 1 1.803 0.02 . 2 . . . . A 18 LYS HB3 . 30245 1 150 . 1 1 18 18 LYS HG2 H 1 1.486 0.02 . 1 . . . . A 18 LYS HG2 . 30245 1 151 . 1 1 18 18 LYS HD2 H 1 1.672 0.02 . 1 . . . . A 18 LYS HD2 . 30245 1 152 . 1 1 18 18 LYS HE2 H 1 3.013 0.02 . 1 . . . . A 18 LYS HE2 . 30245 1 153 . 1 1 18 18 LYS C C 13 177.096 0.1 . 1 . . . . A 18 LYS C . 30245 1 154 . 1 1 18 18 LYS CA C 13 57.117 0.1 . 1 . . . . A 18 LYS CA . 30245 1 155 . 1 1 18 18 LYS CB C 13 33.900 0.1 . 1 . . . . A 18 LYS CB . 30245 1 156 . 1 1 18 18 LYS CG C 13 25.682 0.1 . 1 . . . . A 18 LYS CG . 30245 1 157 . 1 1 18 18 LYS CD C 13 29.566 0.1 . 1 . . . . A 18 LYS CD . 30245 1 158 . 1 1 18 18 LYS N N 15 122.812 0.1 . 1 . . . . A 18 LYS N . 30245 1 159 . 1 1 19 19 ALA H H 1 8.325 0.02 . 1 . . . . A 19 ALA H . 30245 1 160 . 1 1 19 19 ALA HA H 1 4.413 0.02 . 1 . . . . A 19 ALA HA . 30245 1 161 . 1 1 19 19 ALA HB1 H 1 1.566 0.02 . 1 . . . . A 19 ALA HB1 . 30245 1 162 . 1 1 19 19 ALA HB2 H 1 1.566 0.02 . 1 . . . . A 19 ALA HB2 . 30245 1 163 . 1 1 19 19 ALA HB3 H 1 1.566 0.02 . 1 . . . . A 19 ALA HB3 . 30245 1 164 . 1 1 19 19 ALA C C 13 179.372 0.1 . 1 . . . . A 19 ALA C . 30245 1 165 . 1 1 19 19 ALA CA C 13 53.520 0.1 . 1 . . . . A 19 ALA CA . 30245 1 166 . 1 1 19 19 ALA CB C 13 19.531 0.1 . 1 . . . . A 19 ALA CB . 30245 1 167 . 1 1 19 19 ALA N N 15 123.622 0.1 . 1 . . . . A 19 ALA N . 30245 1 168 . 1 1 20 20 ILE H H 1 8.331 0.02 . 1 . . . . A 20 ILE H . 30245 1 169 . 1 1 20 20 ILE HA H 1 3.187 0.02 . 1 . . . . A 20 ILE HA . 30245 1 170 . 1 1 20 20 ILE HB H 1 1.610 0.02 . 1 . . . . A 20 ILE HB . 30245 1 171 . 1 1 20 20 ILE HG12 H 1 1.342 0.02 . 2 . . . . A 20 ILE HG12 . 30245 1 172 . 1 1 20 20 ILE HG13 H 1 0.023 0.02 . 2 . . . . A 20 ILE HG13 . 30245 1 173 . 1 1 20 20 ILE HG21 H 1 0.531 0.02 . 1 . . . . A 20 ILE HG21 . 30245 1 174 . 1 1 20 20 ILE HG22 H 1 0.531 0.02 . 1 . . . . A 20 ILE HG22 . 30245 1 175 . 1 1 20 20 ILE HG23 H 1 0.531 0.02 . 1 . . . . A 20 ILE HG23 . 30245 1 176 . 1 1 20 20 ILE HD11 H 1 0.586 0.02 . 1 . . . . A 20 ILE HD11 . 30245 1 177 . 1 1 20 20 ILE HD12 H 1 0.586 0.02 . 1 . . . . A 20 ILE HD12 . 30245 1 178 . 1 1 20 20 ILE HD13 H 1 0.586 0.02 . 1 . . . . A 20 ILE HD13 . 30245 1 179 . 1 1 20 20 ILE C C 13 177.753 0.1 . 1 . . . . A 20 ILE C . 30245 1 180 . 1 1 20 20 ILE CA C 13 66.247 0.1 . 1 . . . . A 20 ILE CA . 30245 1 181 . 1 1 20 20 ILE CB C 13 37.983 0.1 . 1 . . . . A 20 ILE CB . 30245 1 182 . 1 1 20 20 ILE CG1 C 13 29.243 0.1 . 1 . . . . A 20 ILE CG1 . 30245 1 183 . 1 1 20 20 ILE CG2 C 13 17.589 0.1 . 1 . . . . A 20 ILE CG2 . 30245 1 184 . 1 1 20 20 ILE CD1 C 13 14.029 0.1 . 1 . . . . A 20 ILE CD1 . 30245 1 185 . 1 1 20 20 ILE N N 15 122.213 0.1 . 1 . . . . A 20 ILE N . 30245 1 186 . 1 1 21 21 SER H H 1 8.237 0.02 . 1 . . . . A 21 SER H . 30245 1 187 . 1 1 21 21 SER HA H 1 3.954 0.02 . 1 . . . . A 21 SER HA . 30245 1 188 . 1 1 21 21 SER HB2 H 1 3.855 0.02 . 2 . . . . A 21 SER HB2 . 30245 1 189 . 1 1 21 21 SER HB3 H 1 3.679 0.02 . 2 . . . . A 21 SER HB3 . 30245 1 190 . 1 1 21 21 SER HG H 1 6.227 0.02 . 1 . . . . A 21 SER HG . 30245 1 191 . 1 1 21 21 SER C C 13 176.882 0.1 . 1 . . . . A 21 SER C . 30245 1 192 . 1 1 21 21 SER CA C 13 62.547 0.1 . 1 . . . . A 21 SER CA . 30245 1 193 . 1 1 21 21 SER CB C 13 61.937 0.1 . 1 . . . . A 21 SER CB . 30245 1 194 . 1 1 21 21 SER N N 15 114.975 0.1 . 1 . . . . A 21 SER N . 30245 1 195 . 1 1 22 22 GLU H H 1 7.287 0.02 . 1 . . . . A 22 GLU H . 30245 1 196 . 1 1 22 22 GLU HA H 1 4.218 0.02 . 1 . . . . A 22 GLU HA . 30245 1 197 . 1 1 22 22 GLU HB2 H 1 2.218 0.02 . 2 . . . . A 22 GLU HB2 . 30245 1 198 . 1 1 22 22 GLU HB3 H 1 2.139 0.02 . 2 . . . . A 22 GLU HB3 . 30245 1 199 . 1 1 22 22 GLU HG2 H 1 2.403 0.02 . 2 . . . . A 22 GLU HG2 . 30245 1 200 . 1 1 22 22 GLU HG3 H 1 2.256 0.02 . 2 . . . . A 22 GLU HG3 . 30245 1 201 . 1 1 22 22 GLU C C 13 179.947 0.1 . 1 . . . . A 22 GLU C . 30245 1 202 . 1 1 22 22 GLU CA C 13 59.660 0.1 . 1 . . . . A 22 GLU CA . 30245 1 203 . 1 1 22 22 GLU CB C 13 30.449 0.1 . 1 . . . . A 22 GLU CB . 30245 1 204 . 1 1 22 22 GLU CG C 13 37.335 0.1 . 1 . . . . A 22 GLU CG . 30245 1 205 . 1 1 22 22 GLU N N 15 122.757 0.1 . 1 . . . . A 22 GLU N . 30245 1 206 . 1 1 23 23 THR H H 1 8.466 0.02 . 1 . . . . A 23 THR H . 30245 1 207 . 1 1 23 23 THR HA H 1 3.789 0.02 . 1 . . . . A 23 THR HA . 30245 1 208 . 1 1 23 23 THR HB H 1 4.376 0.02 . 1 . . . . A 23 THR HB . 30245 1 209 . 1 1 23 23 THR HG21 H 1 1.162 0.02 . 1 . . . . A 23 THR HG21 . 30245 1 210 . 1 1 23 23 THR HG22 H 1 1.162 0.02 . 1 . . . . A 23 THR HG22 . 30245 1 211 . 1 1 23 23 THR HG23 H 1 1.162 0.02 . 1 . . . . A 23 THR HG23 . 30245 1 212 . 1 1 23 23 THR C C 13 176.326 0.1 . 1 . . . . A 23 THR C . 30245 1 213 . 1 1 23 23 THR CA C 13 67.892 0.1 . 1 . . . . A 23 THR CA . 30245 1 214 . 1 1 23 23 THR CB C 13 67.993 0.1 . 1 . . . . A 23 THR CB . 30245 1 215 . 1 1 23 23 THR CG2 C 13 23.416 0.1 . 1 . . . . A 23 THR CG2 . 30245 1 216 . 1 1 23 23 THR N N 15 119.291 0.1 . 1 . . . . A 23 THR N . 30245 1 217 . 1 1 24 24 LEU H H 1 8.584 0.02 . 1 . . . . A 24 LEU H . 30245 1 218 . 1 1 24 24 LEU HA H 1 3.919 0.02 . 1 . . . . A 24 LEU HA . 30245 1 219 . 1 1 24 24 LEU HB2 H 1 1.886 0.02 . 2 . . . . A 24 LEU HB2 . 30245 1 220 . 1 1 24 24 LEU HB3 H 1 1.318 0.02 . 2 . . . . A 24 LEU HB3 . 30245 1 221 . 1 1 24 24 LEU HG H 1 1.784 0.02 . 1 . . . . A 24 LEU HG . 30245 1 222 . 1 1 24 24 LEU HD11 H 1 0.594 0.02 . 2 . . . . A 24 LEU HD11 . 30245 1 223 . 1 1 24 24 LEU HD12 H 1 0.594 0.02 . 2 . . . . A 24 LEU HD12 . 30245 1 224 . 1 1 24 24 LEU HD13 H 1 0.594 0.02 . 2 . . . . A 24 LEU HD13 . 30245 1 225 . 1 1 24 24 LEU HD21 H 1 0.727 0.02 . 2 . . . . A 24 LEU HD21 . 30245 1 226 . 1 1 24 24 LEU HD22 H 1 0.727 0.02 . 2 . . . . A 24 LEU HD22 . 30245 1 227 . 1 1 24 24 LEU HD23 H 1 0.727 0.02 . 2 . . . . A 24 LEU HD23 . 30245 1 228 . 1 1 24 24 LEU C C 13 178.539 0.1 . 1 . . . . A 24 LEU C . 30245 1 229 . 1 1 24 24 LEU CA C 13 58.955 0.1 . 1 . . . . A 24 LEU CA . 30245 1 230 . 1 1 24 24 LEU CB C 13 41.998 0.1 . 1 . . . . A 24 LEU CB . 30245 1 231 . 1 1 24 24 LEU CG C 13 27.624 0.1 . 1 . . . . A 24 LEU CG . 30245 1 232 . 1 1 24 24 LEU CD1 C 13 26.395 0.1 . 1 . . . . A 24 LEU CD1 . 30245 1 233 . 1 1 24 24 LEU CD2 C 13 22.866 0.1 . 1 . . . . A 24 LEU CD2 . 30245 1 234 . 1 1 24 24 LEU N N 15 119.050 0.1 . 1 . . . . A 24 LEU N . 30245 1 235 . 1 1 25 25 GLU H H 1 8.167 0.02 . 1 . . . . A 25 GLU H . 30245 1 236 . 1 1 25 25 GLU HA H 1 3.849 0.02 . 1 . . . . A 25 GLU HA . 30245 1 237 . 1 1 25 25 GLU HB2 H 1 2.222 0.02 . 2 . . . . A 25 GLU HB2 . 30245 1 238 . 1 1 25 25 GLU HB3 H 1 2.163 0.02 . 2 . . . . A 25 GLU HB3 . 30245 1 239 . 1 1 25 25 GLU HG2 H 1 2.305 0.02 . 2 . . . . A 25 GLU HG2 . 30245 1 240 . 1 1 25 25 GLU HG3 H 1 2.236 0.02 . 2 . . . . A 25 GLU HG3 . 30245 1 241 . 1 1 25 25 GLU C C 13 178.186 0.1 . 1 . . . . A 25 GLU C . 30245 1 242 . 1 1 25 25 GLU CA C 13 60.992 0.1 . 1 . . . . A 25 GLU CA . 30245 1 243 . 1 1 25 25 GLU CB C 13 29.700 0.1 . 1 . . . . A 25 GLU CB . 30245 1 244 . 1 1 25 25 GLU CG C 13 36.365 0.1 . 1 . . . . A 25 GLU CG . 30245 1 245 . 1 1 25 25 GLU N N 15 119.549 0.1 . 1 . . . . A 25 GLU N . 30245 1 246 . 1 1 26 26 THR H H 1 7.998 0.02 . 1 . . . . A 26 THR H . 30245 1 247 . 1 1 26 26 THR HA H 1 3.964 0.02 . 1 . . . . A 26 THR HA . 30245 1 248 . 1 1 26 26 THR HB H 1 4.299 0.02 . 1 . . . . A 26 THR HB . 30245 1 249 . 1 1 26 26 THR HG21 H 1 1.237 0.02 . 1 . . . . A 26 THR HG21 . 30245 1 250 . 1 1 26 26 THR HG22 H 1 1.237 0.02 . 1 . . . . A 26 THR HG22 . 30245 1 251 . 1 1 26 26 THR HG23 H 1 1.237 0.02 . 1 . . . . A 26 THR HG23 . 30245 1 252 . 1 1 26 26 THR C C 13 177.285 0.1 . 1 . . . . A 26 THR C . 30245 1 253 . 1 1 26 26 THR CA C 13 67.722 0.1 . 1 . . . . A 26 THR CA . 30245 1 254 . 1 1 26 26 THR CB C 13 69.434 0.1 . 1 . . . . A 26 THR CB . 30245 1 255 . 1 1 26 26 THR CG2 C 13 22.116 0.1 . 1 . . . . A 26 THR CG2 . 30245 1 256 . 1 1 26 26 THR N N 15 116.364 0.1 . 1 . . . . A 26 THR N . 30245 1 257 . 1 1 27 27 VAL H H 1 8.500 0.02 . 1 . . . . A 27 VAL H . 30245 1 258 . 1 1 27 27 VAL HA H 1 3.509 0.02 . 1 . . . . A 27 VAL HA . 30245 1 259 . 1 1 27 27 VAL HB H 1 2.182 0.02 . 1 . . . . A 27 VAL HB . 30245 1 260 . 1 1 27 27 VAL HG11 H 1 1.099 0.02 . 2 . . . . A 27 VAL HG11 . 30245 1 261 . 1 1 27 27 VAL HG12 H 1 1.099 0.02 . 2 . . . . A 27 VAL HG12 . 30245 1 262 . 1 1 27 27 VAL HG13 H 1 1.099 0.02 . 2 . . . . A 27 VAL HG13 . 30245 1 263 . 1 1 27 27 VAL HG21 H 1 0.909 0.02 . 2 . . . . A 27 VAL HG21 . 30245 1 264 . 1 1 27 27 VAL HG22 H 1 0.909 0.02 . 2 . . . . A 27 VAL HG22 . 30245 1 265 . 1 1 27 27 VAL HG23 H 1 0.909 0.02 . 2 . . . . A 27 VAL HG23 . 30245 1 266 . 1 1 27 27 VAL C C 13 177.003 0.1 . 1 . . . . A 27 VAL C . 30245 1 267 . 1 1 27 27 VAL CA C 13 67.545 0.1 . 1 . . . . A 27 VAL CA . 30245 1 268 . 1 1 27 27 VAL CB C 13 32.480 0.1 . 1 . . . . A 27 VAL CB . 30245 1 269 . 1 1 27 27 VAL CG1 C 13 24.387 0.1 . 1 . . . . A 27 VAL CG1 . 30245 1 270 . 1 1 27 27 VAL CG2 C 13 22.445 0.1 . 1 . . . . A 27 VAL CG2 . 30245 1 271 . 1 1 27 27 VAL N N 15 121.571 0.1 . 1 . . . . A 27 VAL N . 30245 1 272 . 1 1 28 28 TYR H H 1 8.753 0.02 . 1 . . . . A 28 TYR H . 30245 1 273 . 1 1 28 28 TYR HA H 1 3.763 0.02 . 1 . . . . A 28 TYR HA . 30245 1 274 . 1 1 28 28 TYR HB2 H 1 3.413 0.02 . 2 . . . . A 28 TYR HB2 . 30245 1 275 . 1 1 28 28 TYR HB3 H 1 2.934 0.02 . 2 . . . . A 28 TYR HB3 . 30245 1 276 . 1 1 28 28 TYR HD1 H 1 6.748 0.02 . 1 . . . . A 28 TYR HD1 . 30245 1 277 . 1 1 28 28 TYR HD2 H 1 6.748 0.02 . 1 . . . . A 28 TYR HD2 . 30245 1 278 . 1 1 28 28 TYR HE1 H 1 6.697 0.02 . 1 . . . . A 28 TYR HE1 . 30245 1 279 . 1 1 28 28 TYR HE2 H 1 6.697 0.02 . 1 . . . . A 28 TYR HE2 . 30245 1 280 . 1 1 28 28 TYR C C 13 177.328 0.1 . 1 . . . . A 28 TYR C . 30245 1 281 . 1 1 28 28 TYR CA C 13 63.548 0.1 . 1 . . . . A 28 TYR CA . 30245 1 282 . 1 1 28 28 TYR CB C 13 39.300 0.1 . 1 . . . . A 28 TYR CB . 30245 1 283 . 1 1 28 28 TYR CD1 C 13 133.344 0.1 . 1 . . . . A 28 TYR CD1 . 30245 1 284 . 1 1 28 28 TYR CE1 C 13 118.843 0.1 . 1 . . . . A 28 TYR CE1 . 30245 1 285 . 1 1 28 28 TYR N N 15 120.213 0.1 . 1 . . . . A 28 TYR N . 30245 1 286 . 1 1 29 29 ARG H H 1 8.341 0.02 . 1 . . . . A 29 ARG H . 30245 1 287 . 1 1 29 29 ARG HA H 1 4.231 0.02 . 1 . . . . A 29 ARG HA . 30245 1 288 . 1 1 29 29 ARG HB2 H 1 2.166 0.02 . 2 . . . . A 29 ARG HB2 . 30245 1 289 . 1 1 29 29 ARG HB3 H 1 2.095 0.02 . 2 . . . . A 29 ARG HB3 . 30245 1 290 . 1 1 29 29 ARG HG2 H 1 2.135 0.02 . 2 . . . . A 29 ARG HG2 . 30245 1 291 . 1 1 29 29 ARG HG3 H 1 1.984 0.02 . 2 . . . . A 29 ARG HG3 . 30245 1 292 . 1 1 29 29 ARG HD2 H 1 3.432 0.02 . 2 . . . . A 29 ARG HD2 . 30245 1 293 . 1 1 29 29 ARG HD3 H 1 3.326 0.02 . 2 . . . . A 29 ARG HD3 . 30245 1 294 . 1 1 29 29 ARG C C 13 179.274 0.1 . 1 . . . . A 29 ARG C . 30245 1 295 . 1 1 29 29 ARG CA C 13 59.812 0.1 . 1 . . . . A 29 ARG CA . 30245 1 296 . 1 1 29 29 ARG CB C 13 30.449 0.1 . 1 . . . . A 29 ARG CB . 30245 1 297 . 1 1 29 29 ARG CG C 13 28.595 0.1 . 1 . . . . A 29 ARG CG . 30245 1 298 . 1 1 29 29 ARG CD C 13 43.809 0.1 . 1 . . . . A 29 ARG CD . 30245 1 299 . 1 1 29 29 ARG N N 15 117.151 0.1 . 1 . . . . A 29 ARG N . 30245 1 300 . 1 1 30 30 ALA H H 1 8.179 0.02 . 1 . . . . A 30 ALA H . 30245 1 301 . 1 1 30 30 ALA HA H 1 4.240 0.02 . 1 . . . . A 30 ALA HA . 30245 1 302 . 1 1 30 30 ALA HB1 H 1 1.496 0.02 . 1 . . . . A 30 ALA HB1 . 30245 1 303 . 1 1 30 30 ALA HB2 H 1 1.496 0.02 . 1 . . . . A 30 ALA HB2 . 30245 1 304 . 1 1 30 30 ALA HB3 H 1 1.496 0.02 . 1 . . . . A 30 ALA HB3 . 30245 1 305 . 1 1 30 30 ALA C C 13 179.604 0.1 . 1 . . . . A 30 ALA C . 30245 1 306 . 1 1 30 30 ALA CA C 13 56.006 0.1 . 1 . . . . A 30 ALA CA . 30245 1 307 . 1 1 30 30 ALA CB C 13 19.278 0.1 . 1 . . . . A 30 ALA CB . 30245 1 308 . 1 1 30 30 ALA N N 15 122.727 0.1 . 1 . . . . A 30 ALA N . 30245 1 309 . 1 1 31 31 LEU H H 1 7.948 0.02 . 1 . . . . A 31 LEU H . 30245 1 310 . 1 1 31 31 LEU HA H 1 3.903 0.02 . 1 . . . . A 31 LEU HA . 30245 1 311 . 1 1 31 31 LEU HB2 H 1 2.114 0.02 . 2 . . . . A 31 LEU HB2 . 30245 1 312 . 1 1 31 31 LEU HB3 H 1 1.034 0.02 . 2 . . . . A 31 LEU HB3 . 30245 1 313 . 1 1 31 31 LEU HG H 1 1.661 0.02 . 1 . . . . A 31 LEU HG . 30245 1 314 . 1 1 31 31 LEU HD11 H 1 0.956 0.02 . 2 . . . . A 31 LEU HD11 . 30245 1 315 . 1 1 31 31 LEU HD12 H 1 0.956 0.02 . 2 . . . . A 31 LEU HD12 . 30245 1 316 . 1 1 31 31 LEU HD13 H 1 0.956 0.02 . 2 . . . . A 31 LEU HD13 . 30245 1 317 . 1 1 31 31 LEU HD21 H 1 0.700 0.02 . 2 . . . . A 31 LEU HD21 . 30245 1 318 . 1 1 31 31 LEU HD22 H 1 0.700 0.02 . 2 . . . . A 31 LEU HD22 . 30245 1 319 . 1 1 31 31 LEU HD23 H 1 0.700 0.02 . 2 . . . . A 31 LEU HD23 . 30245 1 320 . 1 1 31 31 LEU C C 13 179.025 0.1 . 1 . . . . A 31 LEU C . 30245 1 321 . 1 1 31 31 LEU CA C 13 58.740 0.1 . 1 . . . . A 31 LEU CA . 30245 1 322 . 1 1 31 31 LEU CB C 13 42.940 0.1 . 1 . . . . A 31 LEU CB . 30245 1 323 . 1 1 31 31 LEU CG C 13 28.919 0.1 . 1 . . . . A 31 LEU CG . 30245 1 324 . 1 1 31 31 LEU CD1 C 13 26.977 0.1 . 1 . . . . A 31 LEU CD1 . 30245 1 325 . 1 1 31 31 LEU CD2 C 13 26.329 0.1 . 1 . . . . A 31 LEU CD2 . 30245 1 326 . 1 1 31 31 LEU N N 15 116.115 0.1 . 1 . . . . A 31 LEU N . 30245 1 327 . 1 1 32 32 GLU H H 1 8.548 0.02 . 1 . . . . A 32 GLU H . 30245 1 328 . 1 1 32 32 GLU HA H 1 4.044 0.02 . 1 . . . . A 32 GLU HA . 30245 1 329 . 1 1 32 32 GLU HB2 H 1 2.228 0.02 . 2 . . . . A 32 GLU HB2 . 30245 1 330 . 1 1 32 32 GLU HB3 H 1 1.897 0.02 . 2 . . . . A 32 GLU HB3 . 30245 1 331 . 1 1 32 32 GLU HG2 H 1 2.284 0.02 . 2 . . . . A 32 GLU HG2 . 30245 1 332 . 1 1 32 32 GLU HG3 H 1 2.253 0.02 . 2 . . . . A 32 GLU HG3 . 30245 1 333 . 1 1 32 32 GLU C C 13 180.986 0.1 . 1 . . . . A 32 GLU C . 30245 1 334 . 1 1 32 32 GLU CA C 13 60.043 0.1 . 1 . . . . A 32 GLU CA . 30245 1 335 . 1 1 32 32 GLU CB C 13 30.684 0.1 . 1 . . . . A 32 GLU CB . 30245 1 336 . 1 1 32 32 GLU CG C 13 37.012 0.1 . 1 . . . . A 32 GLU CG . 30245 1 337 . 1 1 32 32 GLU N N 15 120.908 0.1 . 1 . . . . A 32 GLU N . 30245 1 338 . 1 1 33 33 GLU H H 1 8.327 0.02 . 1 . . . . A 33 GLU H . 30245 1 339 . 1 1 33 33 GLU HA H 1 4.128 0.02 . 1 . . . . A 33 GLU HA . 30245 1 340 . 1 1 33 33 GLU HB2 H 1 2.392 0.02 . 2 . . . . A 33 GLU HB2 . 30245 1 341 . 1 1 33 33 GLU HB3 H 1 2.221 0.02 . 2 . . . . A 33 GLU HB3 . 30245 1 342 . 1 1 33 33 GLU HG2 H 1 2.553 0.02 . 2 . . . . A 33 GLU HG2 . 30245 1 343 . 1 1 33 33 GLU HG3 H 1 2.405 0.02 . 2 . . . . A 33 GLU HG3 . 30245 1 344 . 1 1 33 33 GLU C C 13 178.439 0.1 . 1 . . . . A 33 GLU C . 30245 1 345 . 1 1 33 33 GLU CA C 13 59.729 0.1 . 1 . . . . A 33 GLU CA . 30245 1 346 . 1 1 33 33 GLU CB C 13 30.355 0.1 . 1 . . . . A 33 GLU CB . 30245 1 347 . 1 1 33 33 GLU CG C 13 37.012 0.1 . 1 . . . . A 33 GLU CG . 30245 1 348 . 1 1 33 33 GLU N N 15 120.190 0.1 . 1 . . . . A 33 GLU N . 30245 1 349 . 1 1 34 34 LYS H H 1 7.228 0.02 . 1 . . . . A 34 LYS H . 30245 1 350 . 1 1 34 34 LYS HA H 1 4.291 0.02 . 1 . . . . A 34 LYS HA . 30245 1 351 . 1 1 34 34 LYS HB2 H 1 2.089 0.02 . 2 . . . . A 34 LYS HB2 . 30245 1 352 . 1 1 34 34 LYS HB3 H 1 1.852 0.02 . 2 . . . . A 34 LYS HB3 . 30245 1 353 . 1 1 34 34 LYS HG2 H 1 1.229 0.02 . 1 . . . . A 34 LYS HG2 . 30245 1 354 . 1 1 34 34 LYS HD2 H 1 1.358 0.02 . 2 . . . . A 34 LYS HD2 . 30245 1 355 . 1 1 34 34 LYS HD3 H 1 1.186 0.02 . 2 . . . . A 34 LYS HD3 . 30245 1 356 . 1 1 34 34 LYS HE2 H 1 2.541 0.02 . 2 . . . . A 34 LYS HE2 . 30245 1 357 . 1 1 34 34 LYS HE3 H 1 2.309 0.02 . 2 . . . . A 34 LYS HE3 . 30245 1 358 . 1 1 34 34 LYS C C 13 176.579 0.1 . 1 . . . . A 34 LYS C . 30245 1 359 . 1 1 34 34 LYS CA C 13 54.400 0.1 . 1 . . . . A 34 LYS CA . 30245 1 360 . 1 1 34 34 LYS CB C 13 32.806 0.1 . 1 . . . . A 34 LYS CB . 30245 1 361 . 1 1 34 34 LYS CG C 13 25.035 0.1 . 1 . . . . A 34 LYS CG . 30245 1 362 . 1 1 34 34 LYS CD C 13 27.624 0.1 . 1 . . . . A 34 LYS CD . 30245 1 363 . 1 1 34 34 LYS CE C 13 42.191 0.1 . 1 . . . . A 34 LYS CE . 30245 1 364 . 1 1 34 34 LYS N N 15 115.391 0.1 . 1 . . . . A 34 LYS N . 30245 1 365 . 1 1 35 35 GLY H H 1 7.712 0.02 . 1 . . . . A 35 GLY H . 30245 1 366 . 1 1 35 35 GLY HA2 H 1 4.019 0.02 . 2 . . . . A 35 GLY HA2 . 30245 1 367 . 1 1 35 35 GLY HA3 H 1 3.785 0.02 . 2 . . . . A 35 GLY HA3 . 30245 1 368 . 1 1 35 35 GLY C C 13 175.188 0.1 . 1 . . . . A 35 GLY C . 30245 1 369 . 1 1 35 35 GLY CA C 13 46.370 0.1 . 1 . . . . A 35 GLY CA . 30245 1 370 . 1 1 35 35 GLY N N 15 106.626 0.1 . 1 . . . . A 35 GLY N . 30245 1 371 . 1 1 36 36 TYR H H 1 7.631 0.02 . 1 . . . . A 36 TYR H . 30245 1 372 . 1 1 36 36 TYR HA H 1 4.458 0.02 . 1 . . . . A 36 TYR HA . 30245 1 373 . 1 1 36 36 TYR HB2 H 1 2.793 0.02 . 2 . . . . A 36 TYR HB2 . 30245 1 374 . 1 1 36 36 TYR HB3 H 1 2.468 0.02 . 2 . . . . A 36 TYR HB3 . 30245 1 375 . 1 1 36 36 TYR HD1 H 1 7.145 0.02 . 1 . . . . A 36 TYR HD1 . 30245 1 376 . 1 1 36 36 TYR HD2 H 1 7.145 0.02 . 1 . . . . A 36 TYR HD2 . 30245 1 377 . 1 1 36 36 TYR HE1 H 1 6.736 0.02 . 1 . . . . A 36 TYR HE1 . 30245 1 378 . 1 1 36 36 TYR HE2 H 1 6.736 0.02 . 1 . . . . A 36 TYR HE2 . 30245 1 379 . 1 1 36 36 TYR C C 13 175.489 0.1 . 1 . . . . A 36 TYR C . 30245 1 380 . 1 1 36 36 TYR CA C 13 58.097 0.1 . 1 . . . . A 36 TYR CA . 30245 1 381 . 1 1 36 36 TYR CB C 13 40.572 0.1 . 1 . . . . A 36 TYR CB . 30245 1 382 . 1 1 36 36 TYR CD1 C 13 133.603 0.1 . 1 . . . . A 36 TYR CD1 . 30245 1 383 . 1 1 36 36 TYR CE1 C 13 118.843 0.1 . 1 . . . . A 36 TYR CE1 . 30245 1 384 . 1 1 36 36 TYR N N 15 117.982 0.1 . 1 . . . . A 36 TYR N . 30245 1 385 . 1 1 37 37 ASN H H 1 8.948 0.02 . 1 . . . . A 37 ASN H . 30245 1 386 . 1 1 37 37 ASN HA H 1 5.092 0.02 . 1 . . . . A 37 ASN HA . 30245 1 387 . 1 1 37 37 ASN HB2 H 1 3.202 0.02 . 2 . . . . A 37 ASN HB2 . 30245 1 388 . 1 1 37 37 ASN HB3 H 1 2.883 0.02 . 2 . . . . A 37 ASN HB3 . 30245 1 389 . 1 1 37 37 ASN HD21 H 1 7.702 0.02 . 2 . . . . A 37 ASN HD21 . 30245 1 390 . 1 1 37 37 ASN HD22 H 1 6.985 0.02 . 2 . . . . A 37 ASN HD22 . 30245 1 391 . 1 1 37 37 ASN C C 13 175.347 0.1 . 1 . . . . A 37 ASN C . 30245 1 392 . 1 1 37 37 ASN CA C 13 50.931 0.1 . 1 . . . . A 37 ASN CA . 30245 1 393 . 1 1 37 37 ASN CB C 13 38.630 0.1 . 1 . . . . A 37 ASN CB . 30245 1 394 . 1 1 37 37 ASN N N 15 120.671 0.1 . 1 . . . . A 37 ASN N . 30245 1 395 . 1 1 37 37 ASN ND2 N 15 114.164 0.1 . 1 . . . . A 37 ASN ND2 . 30245 1 396 . 1 1 38 38 PRO HA H 1 3.907 0.02 . 1 . . . . A 38 PRO HA . 30245 1 397 . 1 1 38 38 PRO HB2 H 1 1.947 0.02 . 2 . . . . A 38 PRO HB2 . 30245 1 398 . 1 1 38 38 PRO HB3 H 1 1.528 0.02 . 2 . . . . A 38 PRO HB3 . 30245 1 399 . 1 1 38 38 PRO HG2 H 1 1.266 0.02 . 2 . . . . A 38 PRO HG2 . 30245 1 400 . 1 1 38 38 PRO HG3 H 1 1.217 0.02 . 2 . . . . A 38 PRO HG3 . 30245 1 401 . 1 1 38 38 PRO HD2 H 1 4.430 0.02 . 2 . . . . A 38 PRO HD2 . 30245 1 402 . 1 1 38 38 PRO HD3 H 1 3.682 0.02 . 2 . . . . A 38 PRO HD3 . 30245 1 403 . 1 1 38 38 PRO C C 13 179.369 0.1 . 1 . . . . A 38 PRO C . 30245 1 404 . 1 1 38 38 PRO CA C 13 65.497 0.1 . 1 . . . . A 38 PRO CA . 30245 1 405 . 1 1 38 38 PRO CB C 13 34.422 0.1 . 1 . . . . A 38 PRO CB . 30245 1 406 . 1 1 38 38 PRO CG C 13 28.595 0.1 . 1 . . . . A 38 PRO CG . 30245 1 407 . 1 1 38 38 PRO CD C 13 51.902 0.1 . 1 . . . . A 38 PRO CD . 30245 1 408 . 1 1 39 39 ILE H H 1 7.601 0.02 . 1 . . . . A 39 ILE H . 30245 1 409 . 1 1 39 39 ILE HA H 1 3.663 0.02 . 1 . . . . A 39 ILE HA . 30245 1 410 . 1 1 39 39 ILE HB H 1 2.319 0.02 . 1 . . . . A 39 ILE HB . 30245 1 411 . 1 1 39 39 ILE HG12 H 1 1.748 0.02 . 2 . . . . A 39 ILE HG12 . 30245 1 412 . 1 1 39 39 ILE HG13 H 1 1.667 0.02 . 2 . . . . A 39 ILE HG13 . 30245 1 413 . 1 1 39 39 ILE HG21 H 1 1.009 0.02 . 1 . . . . A 39 ILE HG21 . 30245 1 414 . 1 1 39 39 ILE HG22 H 1 1.009 0.02 . 1 . . . . A 39 ILE HG22 . 30245 1 415 . 1 1 39 39 ILE HG23 H 1 1.009 0.02 . 1 . . . . A 39 ILE HG23 . 30245 1 416 . 1 1 39 39 ILE HD11 H 1 0.969 0.02 . 1 . . . . A 39 ILE HD11 . 30245 1 417 . 1 1 39 39 ILE HD12 H 1 0.969 0.02 . 1 . . . . A 39 ILE HD12 . 30245 1 418 . 1 1 39 39 ILE HD13 H 1 0.969 0.02 . 1 . . . . A 39 ILE HD13 . 30245 1 419 . 1 1 39 39 ILE C C 13 177.572 0.1 . 1 . . . . A 39 ILE C . 30245 1 420 . 1 1 39 39 ILE CA C 13 63.931 0.1 . 1 . . . . A 39 ILE CA . 30245 1 421 . 1 1 39 39 ILE CB C 13 36.000 0.1 . 1 . . . . A 39 ILE CB . 30245 1 422 . 1 1 39 39 ILE CG1 C 13 28.919 0.1 . 1 . . . . A 39 ILE CG1 . 30245 1 423 . 1 1 39 39 ILE CG2 C 13 18.560 0.1 . 1 . . . . A 39 ILE CG2 . 30245 1 424 . 1 1 39 39 ILE CD1 C 13 11.439 0.1 . 1 . . . . A 39 ILE CD1 . 30245 1 425 . 1 1 39 39 ILE N N 15 113.904 0.1 . 1 . . . . A 39 ILE N . 30245 1 426 . 1 1 40 40 ASN H H 1 7.494 0.02 . 1 . . . . A 40 ASN H . 30245 1 427 . 1 1 40 40 ASN HA H 1 4.353 0.02 . 1 . . . . A 40 ASN HA . 30245 1 428 . 1 1 40 40 ASN HB2 H 1 2.934 0.02 . 2 . . . . A 40 ASN HB2 . 30245 1 429 . 1 1 40 40 ASN HB3 H 1 2.845 0.02 . 2 . . . . A 40 ASN HB3 . 30245 1 430 . 1 1 40 40 ASN HD21 H 1 7.645 0.02 . 2 . . . . A 40 ASN HD21 . 30245 1 431 . 1 1 40 40 ASN HD22 H 1 6.953 0.02 . 2 . . . . A 40 ASN HD22 . 30245 1 432 . 1 1 40 40 ASN C C 13 179.017 0.1 . 1 . . . . A 40 ASN C . 30245 1 433 . 1 1 40 40 ASN CA C 13 56.757 0.1 . 1 . . . . A 40 ASN CA . 30245 1 434 . 1 1 40 40 ASN CB C 13 38.630 0.1 . 1 . . . . A 40 ASN CB . 30245 1 435 . 1 1 40 40 ASN N N 15 117.383 0.1 . 1 . . . . A 40 ASN N . 30245 1 436 . 1 1 40 40 ASN ND2 N 15 111.331 0.1 . 1 . . . . A 40 ASN ND2 . 30245 1 437 . 1 1 41 41 GLN H H 1 7.551 0.02 . 1 . . . . A 41 GLN H . 30245 1 438 . 1 1 41 41 GLN HA H 1 4.268 0.02 . 1 . . . . A 41 GLN HA . 30245 1 439 . 1 1 41 41 GLN HB2 H 1 2.566 0.02 . 2 . . . . A 41 GLN HB2 . 30245 1 440 . 1 1 41 41 GLN HB3 H 1 2.039 0.02 . 2 . . . . A 41 GLN HB3 . 30245 1 441 . 1 1 41 41 GLN HG2 H 1 2.758 0.02 . 2 . . . . A 41 GLN HG2 . 30245 1 442 . 1 1 41 41 GLN HG3 H 1 2.315 0.02 . 2 . . . . A 41 GLN HG3 . 30245 1 443 . 1 1 41 41 GLN HE21 H 1 8.435 0.02 . 2 . . . . A 41 GLN HE21 . 30245 1 444 . 1 1 41 41 GLN HE22 H 1 7.436 0.02 . 2 . . . . A 41 GLN HE22 . 30245 1 445 . 1 1 41 41 GLN C C 13 177.626 0.1 . 1 . . . . A 41 GLN C . 30245 1 446 . 1 1 41 41 GLN CA C 13 58.664 0.1 . 1 . . . . A 41 GLN CA . 30245 1 447 . 1 1 41 41 GLN CB C 13 29.082 0.1 . 1 . . . . A 41 GLN CB . 30245 1 448 . 1 1 41 41 GLN CG C 13 35.393 0.1 . 1 . . . . A 41 GLN CG . 30245 1 449 . 1 1 41 41 GLN N N 15 116.237 0.1 . 1 . . . . A 41 GLN N . 30245 1 450 . 1 1 41 41 GLN NE2 N 15 112.355 0.1 . 1 . . . . A 41 GLN NE2 . 30245 1 451 . 1 1 42 42 ILE H H 1 8.146 0.02 . 1 . . . . A 42 ILE H . 30245 1 452 . 1 1 42 42 ILE HA H 1 3.454 0.02 . 1 . . . . A 42 ILE HA . 30245 1 453 . 1 1 42 42 ILE HB H 1 1.836 0.02 . 1 . . . . A 42 ILE HB . 30245 1 454 . 1 1 42 42 ILE HG12 H 1 1.895 0.02 . 2 . . . . A 42 ILE HG12 . 30245 1 455 . 1 1 42 42 ILE HG13 H 1 0.589 0.02 . 2 . . . . A 42 ILE HG13 . 30245 1 456 . 1 1 42 42 ILE HG21 H 1 0.836 0.02 . 1 . . . . A 42 ILE HG21 . 30245 1 457 . 1 1 42 42 ILE HG22 H 1 0.836 0.02 . 1 . . . . A 42 ILE HG22 . 30245 1 458 . 1 1 42 42 ILE HG23 H 1 0.836 0.02 . 1 . . . . A 42 ILE HG23 . 30245 1 459 . 1 1 42 42 ILE HD11 H 1 0.833 0.02 . 1 . . . . A 42 ILE HD11 . 30245 1 460 . 1 1 42 42 ILE HD12 H 1 0.833 0.02 . 1 . . . . A 42 ILE HD12 . 30245 1 461 . 1 1 42 42 ILE HD13 H 1 0.833 0.02 . 1 . . . . A 42 ILE HD13 . 30245 1 462 . 1 1 42 42 ILE C C 13 177.807 0.1 . 1 . . . . A 42 ILE C . 30245 1 463 . 1 1 42 42 ILE CA C 13 67.217 0.1 . 1 . . . . A 42 ILE CA . 30245 1 464 . 1 1 42 42 ILE CB C 13 38.792 0.1 . 1 . . . . A 42 ILE CB . 30245 1 465 . 1 1 42 42 ILE CG1 C 13 30.637 0.1 . 1 . . . . A 42 ILE CG1 . 30245 1 466 . 1 1 42 42 ILE CG2 C 13 17.266 0.1 . 1 . . . . A 42 ILE CG2 . 30245 1 467 . 1 1 42 42 ILE CD1 C 13 13.469 0.1 . 1 . . . . A 42 ILE CD1 . 30245 1 468 . 1 1 42 42 ILE N N 15 119.408 0.1 . 1 . . . . A 42 ILE N . 30245 1 469 . 1 1 43 43 VAL H H 1 8.636 0.02 . 1 . . . . A 43 VAL H . 30245 1 470 . 1 1 43 43 VAL HA H 1 3.296 0.02 . 1 . . . . A 43 VAL HA . 30245 1 471 . 1 1 43 43 VAL HB H 1 2.176 0.02 . 1 . . . . A 43 VAL HB . 30245 1 472 . 1 1 43 43 VAL HG11 H 1 0.908 0.02 . 2 . . . . A 43 VAL HG11 . 30245 1 473 . 1 1 43 43 VAL HG12 H 1 0.908 0.02 . 2 . . . . A 43 VAL HG12 . 30245 1 474 . 1 1 43 43 VAL HG13 H 1 0.908 0.02 . 2 . . . . A 43 VAL HG13 . 30245 1 475 . 1 1 43 43 VAL HG21 H 1 0.900 0.02 . 2 . . . . A 43 VAL HG21 . 30245 1 476 . 1 1 43 43 VAL HG22 H 1 0.900 0.02 . 2 . . . . A 43 VAL HG22 . 30245 1 477 . 1 1 43 43 VAL HG23 H 1 0.900 0.02 . 2 . . . . A 43 VAL HG23 . 30245 1 478 . 1 1 43 43 VAL C C 13 177.301 0.1 . 1 . . . . A 43 VAL C . 30245 1 479 . 1 1 43 43 VAL CA C 13 68.211 0.1 . 1 . . . . A 43 VAL CA . 30245 1 480 . 1 1 43 43 VAL CB C 13 31.800 0.1 . 1 . . . . A 43 VAL CB . 30245 1 481 . 1 1 43 43 VAL CG1 C 13 24.711 0.1 . 1 . . . . A 43 VAL CG1 . 30245 1 482 . 1 1 43 43 VAL CG2 C 13 22.121 0.1 . 1 . . . . A 43 VAL CG2 . 30245 1 483 . 1 1 43 43 VAL N N 15 119.749 0.1 . 1 . . . . A 43 VAL N . 30245 1 484 . 1 1 44 44 GLY H H 1 7.765 0.02 . 1 . . . . A 44 GLY H . 30245 1 485 . 1 1 44 44 GLY HA2 H 1 3.331 0.02 . 2 . . . . A 44 GLY HA2 . 30245 1 486 . 1 1 44 44 GLY HA3 H 1 2.837 0.02 . 2 . . . . A 44 GLY HA3 . 30245 1 487 . 1 1 44 44 GLY C C 13 177.705 0.1 . 1 . . . . A 44 GLY C . 30245 1 488 . 1 1 44 44 GLY CA C 13 46.924 0.1 . 1 . . . . A 44 GLY CA . 30245 1 489 . 1 1 44 44 GLY N N 15 105.716 0.1 . 1 . . . . A 44 GLY N . 30245 1 490 . 1 1 45 45 TYR H H 1 7.931 0.02 . 1 . . . . A 45 TYR H . 30245 1 491 . 1 1 45 45 TYR HA H 1 3.906 0.02 . 1 . . . . A 45 TYR HA . 30245 1 492 . 1 1 45 45 TYR HB2 H 1 3.033 0.02 . 1 . . . . A 45 TYR HB2 . 30245 1 493 . 1 1 45 45 TYR HD1 H 1 6.898 0.02 . 1 . . . . A 45 TYR HD1 . 30245 1 494 . 1 1 45 45 TYR HD2 H 1 6.898 0.02 . 1 . . . . A 45 TYR HD2 . 30245 1 495 . 1 1 45 45 TYR HE1 H 1 6.445 0.02 . 1 . . . . A 45 TYR HE1 . 30245 1 496 . 1 1 45 45 TYR HE2 H 1 6.445 0.02 . 1 . . . . A 45 TYR HE2 . 30245 1 497 . 1 1 45 45 TYR C C 13 177.259 0.1 . 1 . . . . A 45 TYR C . 30245 1 498 . 1 1 45 45 TYR CA C 13 62.155 0.1 . 1 . . . . A 45 TYR CA . 30245 1 499 . 1 1 45 45 TYR CB C 13 39.262 0.1 . 1 . . . . A 45 TYR CB . 30245 1 500 . 1 1 45 45 TYR CD1 C 13 133.344 0.1 . 1 . . . . A 45 TYR CD1 . 30245 1 501 . 1 1 45 45 TYR CE1 C 13 117.289 0.1 . 1 . . . . A 45 TYR CE1 . 30245 1 502 . 1 1 45 45 TYR N N 15 123.504 0.1 . 1 . . . . A 45 TYR N . 30245 1 503 . 1 1 46 46 LEU H H 1 8.582 0.02 . 1 . . . . A 46 LEU H . 30245 1 504 . 1 1 46 46 LEU HA H 1 3.383 0.02 . 1 . . . . A 46 LEU HA . 30245 1 505 . 1 1 46 46 LEU HB2 H 1 1.896 0.02 . 2 . . . . A 46 LEU HB2 . 30245 1 506 . 1 1 46 46 LEU HB3 H 1 1.250 0.02 . 2 . . . . A 46 LEU HB3 . 30245 1 507 . 1 1 46 46 LEU HG H 1 2.000 0.02 . 1 . . . . A 46 LEU HG . 30245 1 508 . 1 1 46 46 LEU HD11 H 1 0.707 0.02 . 2 . . . . A 46 LEU HD11 . 30245 1 509 . 1 1 46 46 LEU HD12 H 1 0.707 0.02 . 2 . . . . A 46 LEU HD12 . 30245 1 510 . 1 1 46 46 LEU HD13 H 1 0.707 0.02 . 2 . . . . A 46 LEU HD13 . 30245 1 511 . 1 1 46 46 LEU HD21 H 1 0.815 0.02 . 2 . . . . A 46 LEU HD21 . 30245 1 512 . 1 1 46 46 LEU HD22 H 1 0.815 0.02 . 2 . . . . A 46 LEU HD22 . 30245 1 513 . 1 1 46 46 LEU HD23 H 1 0.815 0.02 . 2 . . . . A 46 LEU HD23 . 30245 1 514 . 1 1 46 46 LEU C C 13 178.891 0.1 . 1 . . . . A 46 LEU C . 30245 1 515 . 1 1 46 46 LEU CA C 13 58.993 0.1 . 1 . . . . A 46 LEU CA . 30245 1 516 . 1 1 46 46 LEU CB C 13 41.867 0.1 . 1 . . . . A 46 LEU CB . 30245 1 517 . 1 1 46 46 LEU CG C 13 27.300 0.1 . 1 . . . . A 46 LEU CG . 30245 1 518 . 1 1 46 46 LEU CD1 C 13 26.653 0.1 . 1 . . . . A 46 LEU CD1 . 30245 1 519 . 1 1 46 46 LEU CD2 C 13 22.769 0.1 . 1 . . . . A 46 LEU CD2 . 30245 1 520 . 1 1 46 46 LEU N N 15 120.870 0.1 . 1 . . . . A 46 LEU N . 30245 1 521 . 1 1 47 47 LEU H H 1 8.194 0.02 . 1 . . . . A 47 LEU H . 30245 1 522 . 1 1 47 47 LEU HA H 1 3.916 0.02 . 1 . . . . A 47 LEU HA . 30245 1 523 . 1 1 47 47 LEU HB2 H 1 1.718 0.02 . 2 . . . . A 47 LEU HB2 . 30245 1 524 . 1 1 47 47 LEU HB3 H 1 1.345 0.02 . 2 . . . . A 47 LEU HB3 . 30245 1 525 . 1 1 47 47 LEU HG H 1 1.617 0.02 . 1 . . . . A 47 LEU HG . 30245 1 526 . 1 1 47 47 LEU HD11 H 1 0.666 0.02 . 2 . . . . A 47 LEU HD11 . 30245 1 527 . 1 1 47 47 LEU HD12 H 1 0.666 0.02 . 2 . . . . A 47 LEU HD12 . 30245 1 528 . 1 1 47 47 LEU HD13 H 1 0.666 0.02 . 2 . . . . A 47 LEU HD13 . 30245 1 529 . 1 1 47 47 LEU HD21 H 1 0.662 0.02 . 2 . . . . A 47 LEU HD21 . 30245 1 530 . 1 1 47 47 LEU HD22 H 1 0.662 0.02 . 2 . . . . A 47 LEU HD22 . 30245 1 531 . 1 1 47 47 LEU HD23 H 1 0.662 0.02 . 2 . . . . A 47 LEU HD23 . 30245 1 532 . 1 1 47 47 LEU C C 13 178.042 0.1 . 1 . . . . A 47 LEU C . 30245 1 533 . 1 1 47 47 LEU CA C 13 57.385 0.1 . 1 . . . . A 47 LEU CA . 30245 1 534 . 1 1 47 47 LEU CB C 13 43.129 0.1 . 1 . . . . A 47 LEU CB . 30245 1 535 . 1 1 47 47 LEU CG C 13 26.977 0.1 . 1 . . . . A 47 LEU CG . 30245 1 536 . 1 1 47 47 LEU CD1 C 13 26.329 0.1 . 1 . . . . A 47 LEU CD1 . 30245 1 537 . 1 1 47 47 LEU CD2 C 13 23.740 0.1 . 1 . . . . A 47 LEU CD2 . 30245 1 538 . 1 1 47 47 LEU N N 15 115.227 0.1 . 1 . . . . A 47 LEU N . 30245 1 539 . 1 1 48 48 SER H H 1 7.453 0.02 . 1 . . . . A 48 SER H . 30245 1 540 . 1 1 48 48 SER HA H 1 4.547 0.02 . 1 . . . . A 48 SER HA . 30245 1 541 . 1 1 48 48 SER HB2 H 1 3.984 0.02 . 1 . . . . A 48 SER HB2 . 30245 1 542 . 1 1 48 48 SER C C 13 176.570 0.1 . 1 . . . . A 48 SER C . 30245 1 543 . 1 1 48 48 SER CA C 13 60.043 0.1 . 1 . . . . A 48 SER CA . 30245 1 544 . 1 1 48 48 SER CB C 13 66.839 0.1 . 1 . . . . A 48 SER CB . 30245 1 545 . 1 1 48 48 SER N N 15 111.236 0.1 . 1 . . . . A 48 SER N . 30245 1 546 . 1 1 49 49 GLY H H 1 8.869 0.02 . 1 . . . . A 49 GLY H . 30245 1 547 . 1 1 49 49 GLY HA2 H 1 3.970 0.02 . 2 . . . . A 49 GLY HA2 . 30245 1 548 . 1 1 49 49 GLY HA3 H 1 2.944 0.02 . 2 . . . . A 49 GLY HA3 . 30245 1 549 . 1 1 49 49 GLY C C 13 173.089 0.1 . 1 . . . . A 49 GLY C . 30245 1 550 . 1 1 49 49 GLY CA C 13 46.018 0.1 . 1 . . . . A 49 GLY CA . 30245 1 551 . 1 1 49 49 GLY N N 15 114.119 0.1 . 1 . . . . A 49 GLY N . 30245 1 552 . 1 1 50 50 ASP H H 1 8.323 0.02 . 1 . . . . A 50 ASP H . 30245 1 553 . 1 1 50 50 ASP HA H 1 5.059 0.02 . 1 . . . . A 50 ASP HA . 30245 1 554 . 1 1 50 50 ASP HB2 H 1 3.363 0.02 . 2 . . . . A 50 ASP HB2 . 30245 1 555 . 1 1 50 50 ASP HB3 H 1 2.589 0.02 . 2 . . . . A 50 ASP HB3 . 30245 1 556 . 1 1 50 50 ASP C C 13 176.996 0.1 . 1 . . . . A 50 ASP C . 30245 1 557 . 1 1 50 50 ASP CA C 13 51.578 0.1 . 1 . . . . A 50 ASP CA . 30245 1 558 . 1 1 50 50 ASP CB C 13 42.191 0.1 . 1 . . . . A 50 ASP CB . 30245 1 559 . 1 1 50 50 ASP N N 15 121.699 0.1 . 1 . . . . A 50 ASP N . 30245 1 560 . 1 1 51 51 PRO HA H 1 4.336 0.02 . 1 . . . . A 51 PRO HA . 30245 1 561 . 1 1 51 51 PRO HB2 H 1 2.116 0.02 . 2 . . . . A 51 PRO HB2 . 30245 1 562 . 1 1 51 51 PRO HB3 H 1 1.911 0.02 . 2 . . . . A 51 PRO HB3 . 30245 1 563 . 1 1 51 51 PRO HG2 H 1 2.110 0.02 . 2 . . . . A 51 PRO HG2 . 30245 1 564 . 1 1 51 51 PRO HG3 H 1 2.031 0.02 . 2 . . . . A 51 PRO HG3 . 30245 1 565 . 1 1 51 51 PRO HD2 H 1 4.589 0.02 . 2 . . . . A 51 PRO HD2 . 30245 1 566 . 1 1 51 51 PRO HD3 H 1 4.088 0.02 . 2 . . . . A 51 PRO HD3 . 30245 1 567 . 1 1 51 51 PRO C C 13 176.696 0.1 . 1 . . . . A 51 PRO C . 30245 1 568 . 1 1 51 51 PRO CA C 13 64.560 0.1 . 1 . . . . A 51 PRO CA . 30245 1 569 . 1 1 51 51 PRO CB C 13 32.853 0.1 . 1 . . . . A 51 PRO CB . 30245 1 570 . 1 1 51 51 PRO CG C 13 27.624 0.1 . 1 . . . . A 51 PRO CG . 30245 1 571 . 1 1 51 51 PRO CD C 13 51.902 0.1 . 1 . . . . A 51 PRO CD . 30245 1 572 . 1 1 52 52 ALA H H 1 8.455 0.02 . 1 . . . . A 52 ALA H . 30245 1 573 . 1 1 52 52 ALA HA H 1 3.963 0.02 . 1 . . . . A 52 ALA HA . 30245 1 574 . 1 1 52 52 ALA HB1 H 1 1.253 0.02 . 1 . . . . A 52 ALA HB1 . 30245 1 575 . 1 1 52 52 ALA HB2 H 1 1.253 0.02 . 1 . . . . A 52 ALA HB2 . 30245 1 576 . 1 1 52 52 ALA HB3 H 1 1.253 0.02 . 1 . . . . A 52 ALA HB3 . 30245 1 577 . 1 1 52 52 ALA C C 13 179.252 0.1 . 1 . . . . A 52 ALA C . 30245 1 578 . 1 1 52 52 ALA CA C 13 54.591 0.1 . 1 . . . . A 52 ALA CA . 30245 1 579 . 1 1 52 52 ALA CB C 13 18.712 0.1 . 1 . . . . A 52 ALA CB . 30245 1 580 . 1 1 52 52 ALA N N 15 120.096 0.1 . 1 . . . . A 52 ALA N . 30245 1 581 . 1 1 53 53 TYR H H 1 7.417 0.02 . 1 . . . . A 53 TYR H . 30245 1 582 . 1 1 53 53 TYR HA H 1 3.970 0.02 . 1 . . . . A 53 TYR HA . 30245 1 583 . 1 1 53 53 TYR HB2 H 1 3.497 0.02 . 2 . . . . A 53 TYR HB2 . 30245 1 584 . 1 1 53 53 TYR HB3 H 1 2.713 0.02 . 2 . . . . A 53 TYR HB3 . 30245 1 585 . 1 1 53 53 TYR HD1 H 1 7.475 0.02 . 1 . . . . A 53 TYR HD1 . 30245 1 586 . 1 1 53 53 TYR HD2 H 1 7.475 0.02 . 1 . . . . A 53 TYR HD2 . 30245 1 587 . 1 1 53 53 TYR HE1 H 1 6.903 0.02 . 1 . . . . A 53 TYR HE1 . 30245 1 588 . 1 1 53 53 TYR HE2 H 1 6.903 0.02 . 1 . . . . A 53 TYR HE2 . 30245 1 589 . 1 1 53 53 TYR C C 13 175.378 0.1 . 1 . . . . A 53 TYR C . 30245 1 590 . 1 1 53 53 TYR CA C 13 62.011 0.1 . 1 . . . . A 53 TYR CA . 30245 1 591 . 1 1 53 53 TYR CB C 13 40.928 0.1 . 1 . . . . A 53 TYR CB . 30245 1 592 . 1 1 53 53 TYR CD1 C 13 133.344 0.1 . 1 . . . . A 53 TYR CD1 . 30245 1 593 . 1 1 53 53 TYR CE1 C 13 119.102 0.1 . 1 . . . . A 53 TYR CE1 . 30245 1 594 . 1 1 53 53 TYR N N 15 114.019 0.1 . 1 . . . . A 53 TYR N . 30245 1 595 . 1 1 54 54 ILE H H 1 8.083 0.02 . 1 . . . . A 54 ILE H . 30245 1 596 . 1 1 54 54 ILE HA H 1 4.543 0.02 . 1 . . . . A 54 ILE HA . 30245 1 597 . 1 1 54 54 ILE HB H 1 1.903 0.02 . 1 . . . . A 54 ILE HB . 30245 1 598 . 1 1 54 54 ILE HG12 H 1 1.280 0.02 . 2 . . . . A 54 ILE HG12 . 30245 1 599 . 1 1 54 54 ILE HG13 H 1 0.832 0.02 . 2 . . . . A 54 ILE HG13 . 30245 1 600 . 1 1 54 54 ILE HG21 H 1 0.779 0.02 . 1 . . . . A 54 ILE HG21 . 30245 1 601 . 1 1 54 54 ILE HG22 H 1 0.779 0.02 . 1 . . . . A 54 ILE HG22 . 30245 1 602 . 1 1 54 54 ILE HG23 H 1 0.779 0.02 . 1 . . . . A 54 ILE HG23 . 30245 1 603 . 1 1 54 54 ILE HD11 H 1 0.435 0.02 . 1 . . . . A 54 ILE HD11 . 30245 1 604 . 1 1 54 54 ILE HD12 H 1 0.435 0.02 . 1 . . . . A 54 ILE HD12 . 30245 1 605 . 1 1 54 54 ILE HD13 H 1 0.435 0.02 . 1 . . . . A 54 ILE HD13 . 30245 1 606 . 1 1 54 54 ILE C C 13 173.743 0.1 . 1 . . . . A 54 ILE C . 30245 1 607 . 1 1 54 54 ILE CA C 13 54.815 0.1 . 1 . . . . A 54 ILE CA . 30245 1 608 . 1 1 54 54 ILE CB C 13 38.306 0.1 . 1 . . . . A 54 ILE CB . 30245 1 609 . 1 1 54 54 ILE CG1 C 13 26.329 0.1 . 1 . . . . A 54 ILE CG1 . 30245 1 610 . 1 1 54 54 ILE CG2 C 13 16.618 0.1 . 1 . . . . A 54 ILE CG2 . 30245 1 611 . 1 1 54 54 ILE CD1 C 13 9.173 0.1 . 1 . . . . A 54 ILE CD1 . 30245 1 612 . 1 1 54 54 ILE N N 15 119.458 0.1 . 1 . . . . A 54 ILE N . 30245 1 613 . 1 1 55 55 PRO HA H 1 4.510 0.02 . 1 . . . . A 55 PRO HA . 30245 1 614 . 1 1 55 55 PRO HB2 H 1 1.929 0.02 . 1 . . . . A 55 PRO HB2 . 30245 1 615 . 1 1 55 55 PRO HG2 H 1 1.667 0.02 . 2 . . . . A 55 PRO HG2 . 30245 1 616 . 1 1 55 55 PRO HG3 H 1 1.620 0.02 . 2 . . . . A 55 PRO HG3 . 30245 1 617 . 1 1 55 55 PRO HD2 H 1 3.501 0.02 . 2 . . . . A 55 PRO HD2 . 30245 1 618 . 1 1 55 55 PRO HD3 H 1 3.306 0.02 . 2 . . . . A 55 PRO HD3 . 30245 1 619 . 1 1 55 55 PRO C C 13 175.284 0.1 . 1 . . . . A 55 PRO C . 30245 1 620 . 1 1 55 55 PRO CA C 13 63.314 0.1 . 1 . . . . A 55 PRO CA . 30245 1 621 . 1 1 55 55 PRO CB C 13 33.203 0.1 . 1 . . . . A 55 PRO CB . 30245 1 622 . 1 1 55 55 PRO CG C 13 26.977 0.1 . 1 . . . . A 55 PRO CG . 30245 1 623 . 1 1 55 55 PRO CD C 13 51.254 0.1 . 1 . . . . A 55 PRO CD . 30245 1 624 . 1 1 56 56 ARG H H 1 8.479 0.02 . 1 . . . . A 56 ARG H . 30245 1 625 . 1 1 56 56 ARG HA H 1 4.218 0.02 . 1 . . . . A 56 ARG HA . 30245 1 626 . 1 1 56 56 ARG HB2 H 1 1.949 0.02 . 2 . . . . A 56 ARG HB2 . 30245 1 627 . 1 1 56 56 ARG HB3 H 1 1.750 0.02 . 2 . . . . A 56 ARG HB3 . 30245 1 628 . 1 1 56 56 ARG HG2 H 1 1.657 0.02 . 2 . . . . A 56 ARG HG2 . 30245 1 629 . 1 1 56 56 ARG HG3 H 1 1.572 0.02 . 2 . . . . A 56 ARG HG3 . 30245 1 630 . 1 1 56 56 ARG HD2 H 1 3.251 0.02 . 1 . . . . A 56 ARG HD2 . 30245 1 631 . 1 1 56 56 ARG C C 13 176.985 0.1 . 1 . . . . A 56 ARG C . 30245 1 632 . 1 1 56 56 ARG CA C 13 57.565 0.1 . 1 . . . . A 56 ARG CA . 30245 1 633 . 1 1 56 56 ARG CB C 13 30.537 0.1 . 1 . . . . A 56 ARG CB . 30245 1 634 . 1 1 56 56 ARG CG C 13 28.919 0.1 . 1 . . . . A 56 ARG CG . 30245 1 635 . 1 1 56 56 ARG CD C 13 44.133 0.1 . 1 . . . . A 56 ARG CD . 30245 1 636 . 1 1 56 56 ARG N N 15 117.843 0.1 . 1 . . . . A 56 ARG N . 30245 1 637 . 1 1 57 57 TYR H H 1 7.142 0.02 . 1 . . . . A 57 TYR H . 30245 1 638 . 1 1 57 57 TYR HA H 1 4.423 0.02 . 1 . . . . A 57 TYR HA . 30245 1 639 . 1 1 57 57 TYR HB2 H 1 3.276 0.02 . 2 . . . . A 57 TYR HB2 . 30245 1 640 . 1 1 57 57 TYR HB3 H 1 2.562 0.02 . 2 . . . . A 57 TYR HB3 . 30245 1 641 . 1 1 57 57 TYR HD1 H 1 7.139 0.02 . 1 . . . . A 57 TYR HD1 . 30245 1 642 . 1 1 57 57 TYR HD2 H 1 7.139 0.02 . 1 . . . . A 57 TYR HD2 . 30245 1 643 . 1 1 57 57 TYR HE1 H 1 6.965 0.02 . 1 . . . . A 57 TYR HE1 . 30245 1 644 . 1 1 57 57 TYR HE2 H 1 6.965 0.02 . 1 . . . . A 57 TYR HE2 . 30245 1 645 . 1 1 57 57 TYR C C 13 175.047 0.1 . 1 . . . . A 57 TYR C . 30245 1 646 . 1 1 57 57 TYR CA C 13 58.944 0.1 . 1 . . . . A 57 TYR CA . 30245 1 647 . 1 1 57 57 TYR CB C 13 40.206 0.1 . 1 . . . . A 57 TYR CB . 30245 1 648 . 1 1 57 57 TYR CD1 C 13 133.862 0.1 . 1 . . . . A 57 TYR CD1 . 30245 1 649 . 1 1 57 57 TYR CE1 C 13 119.361 0.1 . 1 . . . . A 57 TYR CE1 . 30245 1 650 . 1 1 57 57 TYR N N 15 120.829 0.1 . 1 . . . . A 57 TYR N . 30245 1 651 . 1 1 58 58 GLN H H 1 8.582 0.02 . 1 . . . . A 58 GLN H . 30245 1 652 . 1 1 58 58 GLN HA H 1 3.546 0.02 . 1 . . . . A 58 GLN HA . 30245 1 653 . 1 1 58 58 GLN HB2 H 1 2.086 0.02 . 2 . . . . A 58 GLN HB2 . 30245 1 654 . 1 1 58 58 GLN HB3 H 1 1.639 0.02 . 2 . . . . A 58 GLN HB3 . 30245 1 655 . 1 1 58 58 GLN HG2 H 1 1.530 0.02 . 1 . . . . A 58 GLN HG2 . 30245 1 656 . 1 1 58 58 GLN HE21 H 1 6.720 0.02 . 2 . . . . A 58 GLN HE21 . 30245 1 657 . 1 1 58 58 GLN HE22 H 1 6.575 0.02 . 2 . . . . A 58 GLN HE22 . 30245 1 658 . 1 1 58 58 GLN C C 13 174.755 0.1 . 1 . . . . A 58 GLN C . 30245 1 659 . 1 1 58 58 GLN CA C 13 57.681 0.1 . 1 . . . . A 58 GLN CA . 30245 1 660 . 1 1 58 58 GLN CB C 13 26.329 0.1 . 1 . . . . A 58 GLN CB . 30245 1 661 . 1 1 58 58 GLN CG C 13 34.098 0.1 . 1 . . . . A 58 GLN CG . 30245 1 662 . 1 1 58 58 GLN N N 15 122.570 0.1 . 1 . . . . A 58 GLN N . 30245 1 663 . 1 1 58 58 GLN NE2 N 15 110.392 0.1 . 1 . . . . A 58 GLN NE2 . 30245 1 664 . 1 1 59 59 ASP H H 1 8.333 0.02 . 1 . . . . A 59 ASP H . 30245 1 665 . 1 1 59 59 ASP HA H 1 4.497 0.02 . 1 . . . . A 59 ASP HA . 30245 1 666 . 1 1 59 59 ASP HB2 H 1 3.053 0.02 . 2 . . . . A 59 ASP HB2 . 30245 1 667 . 1 1 59 59 ASP HB3 H 1 2.539 0.02 . 2 . . . . A 59 ASP HB3 . 30245 1 668 . 1 1 59 59 ASP C C 13 177.808 0.1 . 1 . . . . A 59 ASP C . 30245 1 669 . 1 1 59 59 ASP CA C 13 55.585 0.1 . 1 . . . . A 59 ASP CA . 30245 1 670 . 1 1 59 59 ASP CB C 13 41.809 0.1 . 1 . . . . A 59 ASP CB . 30245 1 671 . 1 1 59 59 ASP N N 15 113.443 0.1 . 1 . . . . A 59 ASP N . 30245 1 672 . 1 1 60 60 ALA H H 1 7.690 0.02 . 1 . . . . A 60 ALA H . 30245 1 673 . 1 1 60 60 ALA HA H 1 3.719 0.02 . 1 . . . . A 60 ALA HA . 30245 1 674 . 1 1 60 60 ALA HB1 H 1 1.412 0.02 . 1 . . . . A 60 ALA HB1 . 30245 1 675 . 1 1 60 60 ALA HB2 H 1 1.412 0.02 . 1 . . . . A 60 ALA HB2 . 30245 1 676 . 1 1 60 60 ALA HB3 H 1 1.412 0.02 . 1 . . . . A 60 ALA HB3 . 30245 1 677 . 1 1 60 60 ALA C C 13 178.223 0.1 . 1 . . . . A 60 ALA C . 30245 1 678 . 1 1 60 60 ALA CA C 13 57.163 0.1 . 1 . . . . A 60 ALA CA . 30245 1 679 . 1 1 60 60 ALA CB C 13 18.005 0.1 . 1 . . . . A 60 ALA CB . 30245 1 680 . 1 1 60 60 ALA N N 15 122.016 0.1 . 1 . . . . A 60 ALA N . 30245 1 681 . 1 1 61 61 ARG H H 1 7.345 0.02 . 1 . . . . A 61 ARG H . 30245 1 682 . 1 1 61 61 ARG HA H 1 3.470 0.02 . 1 . . . . A 61 ARG HA . 30245 1 683 . 1 1 61 61 ARG HB2 H 1 1.755 0.02 . 1 . . . . A 61 ARG HB2 . 30245 1 684 . 1 1 61 61 ARG HG2 H 1 0.833 0.02 . 1 . . . . A 61 ARG HG2 . 30245 1 685 . 1 1 61 61 ARG C C 13 177.184 0.1 . 1 . . . . A 61 ARG C . 30245 1 686 . 1 1 61 61 ARG CA C 13 59.995 0.1 . 1 . . . . A 61 ARG CA . 30245 1 687 . 1 1 61 61 ARG CB C 13 30.537 0.1 . 1 . . . . A 61 ARG CB . 30245 1 688 . 1 1 61 61 ARG N N 15 116.857 0.1 . 1 . . . . A 61 ARG N . 30245 1 689 . 1 1 62 62 ASN H H 1 7.533 0.02 . 1 . . . . A 62 ASN H . 30245 1 690 . 1 1 62 62 ASN HA H 1 4.372 0.02 . 1 . . . . A 62 ASN HA . 30245 1 691 . 1 1 62 62 ASN HB2 H 1 2.748 0.02 . 2 . . . . A 62 ASN HB2 . 30245 1 692 . 1 1 62 62 ASN HB3 H 1 2.629 0.02 . 2 . . . . A 62 ASN HB3 . 30245 1 693 . 1 1 62 62 ASN HD21 H 1 8.012 0.02 . 2 . . . . A 62 ASN HD21 . 30245 1 694 . 1 1 62 62 ASN HD22 H 1 6.837 0.02 . 2 . . . . A 62 ASN HD22 . 30245 1 695 . 1 1 62 62 ASN C C 13 178.536 0.1 . 1 . . . . A 62 ASN C . 30245 1 696 . 1 1 62 62 ASN CA C 13 55.924 0.1 . 1 . . . . A 62 ASN CA . 30245 1 697 . 1 1 62 62 ASN CB C 13 38.415 0.1 . 1 . . . . A 62 ASN CB . 30245 1 698 . 1 1 62 62 ASN N N 15 116.341 0.1 . 1 . . . . A 62 ASN N . 30245 1 699 . 1 1 62 62 ASN ND2 N 15 114.405 0.1 . 1 . . . . A 62 ASN ND2 . 30245 1 700 . 1 1 63 63 LEU H H 1 8.490 0.02 . 1 . . . . A 63 LEU H . 30245 1 701 . 1 1 63 63 LEU HA H 1 3.946 0.02 . 1 . . . . A 63 LEU HA . 30245 1 702 . 1 1 63 63 LEU HB2 H 1 1.811 0.02 . 2 . . . . A 63 LEU HB2 . 30245 1 703 . 1 1 63 63 LEU HB3 H 1 1.449 0.02 . 2 . . . . A 63 LEU HB3 . 30245 1 704 . 1 1 63 63 LEU HG H 1 1.826 0.02 . 1 . . . . A 63 LEU HG . 30245 1 705 . 1 1 63 63 LEU HD11 H 1 0.916 0.02 . 2 . . . . A 63 LEU HD11 . 30245 1 706 . 1 1 63 63 LEU HD12 H 1 0.916 0.02 . 2 . . . . A 63 LEU HD12 . 30245 1 707 . 1 1 63 63 LEU HD13 H 1 0.916 0.02 . 2 . . . . A 63 LEU HD13 . 30245 1 708 . 1 1 63 63 LEU HD21 H 1 0.907 0.02 . 2 . . . . A 63 LEU HD21 . 30245 1 709 . 1 1 63 63 LEU HD22 H 1 0.907 0.02 . 2 . . . . A 63 LEU HD22 . 30245 1 710 . 1 1 63 63 LEU HD23 H 1 0.907 0.02 . 2 . . . . A 63 LEU HD23 . 30245 1 711 . 1 1 63 63 LEU C C 13 180.408 0.1 . 1 . . . . A 63 LEU C . 30245 1 712 . 1 1 63 63 LEU CA C 13 58.619 0.1 . 1 . . . . A 63 LEU CA . 30245 1 713 . 1 1 63 63 LEU CB C 13 42.658 0.1 . 1 . . . . A 63 LEU CB . 30245 1 714 . 1 1 63 63 LEU CG C 13 27.300 0.1 . 1 . . . . A 63 LEU CG . 30245 1 715 . 1 1 63 63 LEU CD1 C 13 25.682 0.1 . 1 . . . . A 63 LEU CD1 . 30245 1 716 . 1 1 63 63 LEU CD2 C 13 24.063 0.1 . 1 . . . . A 63 LEU CD2 . 30245 1 717 . 1 1 63 63 LEU N N 15 120.683 0.1 . 1 . . . . A 63 LEU N . 30245 1 718 . 1 1 64 64 ILE H H 1 7.965 0.02 . 1 . . . . A 64 ILE H . 30245 1 719 . 1 1 64 64 ILE HA H 1 3.994 0.02 . 1 . . . . A 64 ILE HA . 30245 1 720 . 1 1 64 64 ILE HB H 1 1.607 0.02 . 1 . . . . A 64 ILE HB . 30245 1 721 . 1 1 64 64 ILE HG12 H 1 1.346 0.02 . 2 . . . . A 64 ILE HG12 . 30245 1 722 . 1 1 64 64 ILE HG13 H 1 1.230 0.02 . 2 . . . . A 64 ILE HG13 . 30245 1 723 . 1 1 64 64 ILE HG21 H 1 0.612 0.02 . 1 . . . . A 64 ILE HG21 . 30245 1 724 . 1 1 64 64 ILE HG22 H 1 0.612 0.02 . 1 . . . . A 64 ILE HG22 . 30245 1 725 . 1 1 64 64 ILE HG23 H 1 0.612 0.02 . 1 . . . . A 64 ILE HG23 . 30245 1 726 . 1 1 64 64 ILE HD11 H 1 0.655 0.02 . 1 . . . . A 64 ILE HD11 . 30245 1 727 . 1 1 64 64 ILE HD12 H 1 0.655 0.02 . 1 . . . . A 64 ILE HD12 . 30245 1 728 . 1 1 64 64 ILE HD13 H 1 0.655 0.02 . 1 . . . . A 64 ILE HD13 . 30245 1 729 . 1 1 64 64 ILE C C 13 176.642 0.1 . 1 . . . . A 64 ILE C . 30245 1 730 . 1 1 64 64 ILE CA C 13 63.879 0.1 . 1 . . . . A 64 ILE CA . 30245 1 731 . 1 1 64 64 ILE CB C 13 38.600 0.1 . 1 . . . . A 64 ILE CB . 30245 1 732 . 1 1 64 64 ILE CG1 C 13 31.185 0.1 . 1 . . . . A 64 ILE CG1 . 30245 1 733 . 1 1 64 64 ILE CG2 C 13 16.942 0.1 . 1 . . . . A 64 ILE CG2 . 30245 1 734 . 1 1 64 64 ILE CD1 C 13 14.352 0.1 . 1 . . . . A 64 ILE CD1 . 30245 1 735 . 1 1 64 64 ILE N N 15 117.268 0.1 . 1 . . . . A 64 ILE N . 30245 1 736 . 1 1 65 65 ARG H H 1 7.104 0.02 . 1 . . . . A 65 ARG H . 30245 1 737 . 1 1 65 65 ARG HA H 1 4.383 0.02 . 1 . . . . A 65 ARG HA . 30245 1 738 . 1 1 65 65 ARG HB2 H 1 2.113 0.02 . 2 . . . . A 65 ARG HB2 . 30245 1 739 . 1 1 65 65 ARG HB3 H 1 1.867 0.02 . 2 . . . . A 65 ARG HB3 . 30245 1 740 . 1 1 65 65 ARG HG2 H 1 1.944 0.02 . 2 . . . . A 65 ARG HG2 . 30245 1 741 . 1 1 65 65 ARG HG3 H 1 1.785 0.02 . 2 . . . . A 65 ARG HG3 . 30245 1 742 . 1 1 65 65 ARG HD2 H 1 3.251 0.02 . 2 . . . . A 65 ARG HD2 . 30245 1 743 . 1 1 65 65 ARG HD3 H 1 3.167 0.02 . 2 . . . . A 65 ARG HD3 . 30245 1 744 . 1 1 65 65 ARG C C 13 176.778 0.1 . 1 . . . . A 65 ARG C . 30245 1 745 . 1 1 65 65 ARG CA C 13 57.240 0.1 . 1 . . . . A 65 ARG CA . 30245 1 746 . 1 1 65 65 ARG CB C 13 30.590 0.1 . 1 . . . . A 65 ARG CB . 30245 1 747 . 1 1 65 65 ARG CG C 13 27.948 0.1 . 1 . . . . A 65 ARG CG . 30245 1 748 . 1 1 65 65 ARG CD C 13 44.133 0.1 . 1 . . . . A 65 ARG CD . 30245 1 749 . 1 1 65 65 ARG N N 15 118.765 0.1 . 1 . . . . A 65 ARG N . 30245 1 750 . 1 1 66 66 ARG H H 1 7.371 0.02 . 1 . . . . A 66 ARG H . 30245 1 751 . 1 1 66 66 ARG HA H 1 4.059 0.02 . 1 . . . . A 66 ARG HA . 30245 1 752 . 1 1 66 66 ARG HB2 H 1 1.637 0.02 . 2 . . . . A 66 ARG HB2 . 30245 1 753 . 1 1 66 66 ARG HB3 H 1 1.576 0.02 . 2 . . . . A 66 ARG HB3 . 30245 1 754 . 1 1 66 66 ARG HG2 H 1 1.642 0.02 . 2 . . . . A 66 ARG HG2 . 30245 1 755 . 1 1 66 66 ARG HG3 H 1 1.590 0.02 . 2 . . . . A 66 ARG HG3 . 30245 1 756 . 1 1 66 66 ARG HD2 H 1 3.065 0.02 . 1 . . . . A 66 ARG HD2 . 30245 1 757 . 1 1 66 66 ARG C C 13 175.369 0.1 . 1 . . . . A 66 ARG C . 30245 1 758 . 1 1 66 66 ARG CA C 13 58.014 0.1 . 1 . . . . A 66 ARG CA . 30245 1 759 . 1 1 66 66 ARG CB C 13 30.213 0.1 . 1 . . . . A 66 ARG CB . 30245 1 760 . 1 1 66 66 ARG CG C 13 26.977 0.1 . 1 . . . . A 66 ARG CG . 30245 1 761 . 1 1 66 66 ARG CD C 13 44.133 0.1 . 1 . . . . A 66 ARG CD . 30245 1 762 . 1 1 66 66 ARG N N 15 118.441 0.1 . 1 . . . . A 66 ARG N . 30245 1 763 . 1 1 67 67 HIS H H 1 7.103 0.02 . 1 . . . . A 67 HIS H . 30245 1 764 . 1 1 67 67 HIS HA H 1 4.853 0.02 . 1 . . . . A 67 HIS HA . 30245 1 765 . 1 1 67 67 HIS HB2 H 1 3.118 0.02 . 2 . . . . A 67 HIS HB2 . 30245 1 766 . 1 1 67 67 HIS HB3 H 1 2.733 0.02 . 2 . . . . A 67 HIS HB3 . 30245 1 767 . 1 1 67 67 HIS HD2 H 1 6.797 0.02 . 1 . . . . A 67 HIS HD2 . 30245 1 768 . 1 1 67 67 HIS HE1 H 1 7.612 0.02 . 1 . . . . A 67 HIS HE1 . 30245 1 769 . 1 1 67 67 HIS C C 13 175.441 0.1 . 1 . . . . A 67 HIS C . 30245 1 770 . 1 1 67 67 HIS CA C 13 53.701 0.1 . 1 . . . . A 67 HIS CA . 30245 1 771 . 1 1 67 67 HIS CB C 13 32.193 0.1 . 1 . . . . A 67 HIS CB . 30245 1 772 . 1 1 67 67 HIS CD2 C 13 125.835 0.1 . 1 . . . . A 67 HIS CD2 . 30245 1 773 . 1 1 67 67 HIS CE1 C 13 139.300 0.1 . 1 . . . . A 67 HIS CE1 . 30245 1 774 . 1 1 67 67 HIS N N 15 115.596 0.1 . 1 . . . . A 67 HIS N . 30245 1 775 . 1 1 68 68 GLU H H 1 9.108 0.02 . 1 . . . . A 68 GLU H . 30245 1 776 . 1 1 68 68 GLU HA H 1 4.557 0.02 . 1 . . . . A 68 GLU HA . 30245 1 777 . 1 1 68 68 GLU HB2 H 1 2.443 0.02 . 2 . . . . A 68 GLU HB2 . 30245 1 778 . 1 1 68 68 GLU HB3 H 1 1.944 0.02 . 2 . . . . A 68 GLU HB3 . 30245 1 779 . 1 1 68 68 GLU HG2 H 1 2.571 0.02 . 2 . . . . A 68 GLU HG2 . 30245 1 780 . 1 1 68 68 GLU HG3 H 1 2.405 0.02 . 2 . . . . A 68 GLU HG3 . 30245 1 781 . 1 1 68 68 GLU C C 13 179.176 0.1 . 1 . . . . A 68 GLU C . 30245 1 782 . 1 1 68 68 GLU CB C 13 30.861 0.1 . 1 . . . . A 68 GLU CB . 30245 1 783 . 1 1 68 68 GLU CG C 13 36.688 0.1 . 1 . . . . A 68 GLU CG . 30245 1 784 . 1 1 68 68 GLU N N 15 122.112 0.1 . 1 . . . . A 68 GLU N . 30245 1 785 . 1 1 69 69 ARG H H 1 7.161 0.02 . 1 . . . . A 69 ARG H . 30245 1 786 . 1 1 69 69 ARG HA H 1 3.834 0.02 . 1 . . . . A 69 ARG HA . 30245 1 787 . 1 1 69 69 ARG HB2 H 1 1.896 0.02 . 2 . . . . A 69 ARG HB2 . 30245 1 788 . 1 1 69 69 ARG HB3 H 1 1.753 0.02 . 2 . . . . A 69 ARG HB3 . 30245 1 789 . 1 1 69 69 ARG HG2 H 1 1.756 0.02 . 2 . . . . A 69 ARG HG2 . 30245 1 790 . 1 1 69 69 ARG HG3 H 1 1.427 0.02 . 2 . . . . A 69 ARG HG3 . 30245 1 791 . 1 1 69 69 ARG HD2 H 1 3.129 0.02 . 2 . . . . A 69 ARG HD2 . 30245 1 792 . 1 1 69 69 ARG HD3 H 1 2.766 0.02 . 2 . . . . A 69 ARG HD3 . 30245 1 793 . 1 1 69 69 ARG C C 13 178.521 0.1 . 1 . . . . A 69 ARG C . 30245 1 794 . 1 1 69 69 ARG CA C 13 61.629 0.1 . 1 . . . . A 69 ARG CA . 30245 1 795 . 1 1 69 69 ARG CB C 13 31.062 0.1 . 1 . . . . A 69 ARG CB . 30245 1 796 . 1 1 69 69 ARG CG C 13 29.243 0.1 . 1 . . . . A 69 ARG CG . 30245 1 797 . 1 1 69 69 ARG CD C 13 44.387 0.1 . 1 . . . . A 69 ARG CD . 30245 1 798 . 1 1 70 70 ASP H H 1 9.096 0.02 . 1 . . . . A 70 ASP H . 30245 1 799 . 1 1 70 70 ASP HA H 1 3.953 0.02 . 1 . . . . A 70 ASP HA . 30245 1 800 . 1 1 70 70 ASP HB2 H 1 2.554 0.02 . 1 . . . . A 70 ASP HB2 . 30245 1 801 . 1 1 70 70 ASP C C 13 177.885 0.1 . 1 . . . . A 70 ASP C . 30245 1 802 . 1 1 70 70 ASP CA C 13 57.445 0.1 . 1 . . . . A 70 ASP CA . 30245 1 803 . 1 1 70 70 ASP CB C 13 39.358 0.1 . 1 . . . . A 70 ASP CB . 30245 1 804 . 1 1 70 70 ASP N N 15 115.766 0.1 . 1 . . . . A 70 ASP N . 30245 1 805 . 1 1 71 71 GLU H H 1 7.154 0.02 . 1 . . . . A 71 GLU H . 30245 1 806 . 1 1 71 71 GLU HA H 1 4.126 0.02 . 1 . . . . A 71 GLU HA . 30245 1 807 . 1 1 71 71 GLU HB2 H 1 2.411 0.02 . 2 . . . . A 71 GLU HB2 . 30245 1 808 . 1 1 71 71 GLU HB3 H 1 2.221 0.02 . 2 . . . . A 71 GLU HB3 . 30245 1 809 . 1 1 71 71 GLU HG2 H 1 2.426 0.02 . 2 . . . . A 71 GLU HG2 . 30245 1 810 . 1 1 71 71 GLU HG3 H 1 2.340 0.02 . 2 . . . . A 71 GLU HG3 . 30245 1 811 . 1 1 71 71 GLU C C 13 180.288 0.1 . 1 . . . . A 71 GLU C . 30245 1 812 . 1 1 71 71 GLU CA C 13 59.345 0.1 . 1 . . . . A 71 GLU CA . 30245 1 813 . 1 1 71 71 GLU CB C 13 30.449 0.1 . 1 . . . . A 71 GLU CB . 30245 1 814 . 1 1 71 71 GLU CG C 13 37.012 0.1 . 1 . . . . A 71 GLU CG . 30245 1 815 . 1 1 71 71 GLU N N 15 121.210 0.1 . 1 . . . . A 71 GLU N . 30245 1 816 . 1 1 72 72 ILE H H 1 7.730 0.02 . 1 . . . . A 72 ILE H . 30245 1 817 . 1 1 72 72 ILE HA H 1 3.499 0.02 . 1 . . . . A 72 ILE HA . 30245 1 818 . 1 1 72 72 ILE HB H 1 1.891 0.02 . 1 . . . . A 72 ILE HB . 30245 1 819 . 1 1 72 72 ILE HG12 H 1 1.874 0.02 . 2 . . . . A 72 ILE HG12 . 30245 1 820 . 1 1 72 72 ILE HG13 H 1 0.659 0.02 . 2 . . . . A 72 ILE HG13 . 30245 1 821 . 1 1 72 72 ILE HG21 H 1 0.755 0.02 . 1 . . . . A 72 ILE HG21 . 30245 1 822 . 1 1 72 72 ILE HG22 H 1 0.755 0.02 . 1 . . . . A 72 ILE HG22 . 30245 1 823 . 1 1 72 72 ILE HG23 H 1 0.755 0.02 . 1 . . . . A 72 ILE HG23 . 30245 1 824 . 1 1 72 72 ILE HD11 H 1 0.964 0.02 . 1 . . . . A 72 ILE HD11 . 30245 1 825 . 1 1 72 72 ILE HD12 H 1 0.964 0.02 . 1 . . . . A 72 ILE HD12 . 30245 1 826 . 1 1 72 72 ILE HD13 H 1 0.964 0.02 . 1 . . . . A 72 ILE HD13 . 30245 1 827 . 1 1 72 72 ILE C C 13 177.663 0.1 . 1 . . . . A 72 ILE C . 30245 1 828 . 1 1 72 72 ILE CA C 13 66.504 0.1 . 1 . . . . A 72 ILE CA . 30245 1 829 . 1 1 72 72 ILE CB C 13 38.250 0.1 . 1 . . . . A 72 ILE CB . 30245 1 830 . 1 1 72 72 ILE CG1 C 13 28.919 0.1 . 1 . . . . A 72 ILE CG1 . 30245 1 831 . 1 1 72 72 ILE CG2 C 13 18.237 0.1 . 1 . . . . A 72 ILE CG2 . 30245 1 832 . 1 1 72 72 ILE CD1 C 13 13.705 0.1 . 1 . . . . A 72 ILE CD1 . 30245 1 833 . 1 1 72 72 ILE N N 15 119.643 0.1 . 1 . . . . A 72 ILE N . 30245 1 834 . 1 1 73 73 MET H H 1 8.436 0.02 . 1 . . . . A 73 MET H . 30245 1 835 . 1 1 73 73 MET HA H 1 4.090 0.02 . 1 . . . . A 73 MET HA . 30245 1 836 . 1 1 73 73 MET HB2 H 1 2.054 0.02 . 1 . . . . A 73 MET HB2 . 30245 1 837 . 1 1 73 73 MET HG2 H 1 2.500 0.02 . 2 . . . . A 73 MET HG2 . 30245 1 838 . 1 1 73 73 MET HG3 H 1 2.390 0.02 . 2 . . . . A 73 MET HG3 . 30245 1 839 . 1 1 73 73 MET HE1 H 1 1.884 0.02 . 1 . . . . A 73 MET HE1 . 30245 1 840 . 1 1 73 73 MET HE2 H 1 1.884 0.02 . 1 . . . . A 73 MET HE2 . 30245 1 841 . 1 1 73 73 MET HE3 H 1 1.884 0.02 . 1 . . . . A 73 MET HE3 . 30245 1 842 . 1 1 73 73 MET C C 13 179.600 0.1 . 1 . . . . A 73 MET C . 30245 1 843 . 1 1 73 73 MET CA C 13 58.537 0.1 . 1 . . . . A 73 MET CA . 30245 1 844 . 1 1 73 73 MET CB C 13 33.513 0.1 . 1 . . . . A 73 MET CB . 30245 1 845 . 1 1 73 73 MET CG C 13 33.451 0.1 . 1 . . . . A 73 MET CG . 30245 1 846 . 1 1 73 73 MET CE C 13 19.531 0.1 . 1 . . . . A 73 MET CE . 30245 1 847 . 1 1 73 73 MET N N 15 117.584 0.1 . 1 . . . . A 73 MET N . 30245 1 848 . 1 1 74 74 GLU H H 1 8.795 0.02 . 1 . . . . A 74 GLU H . 30245 1 849 . 1 1 74 74 GLU HA H 1 3.662 0.02 . 1 . . . . A 74 GLU HA . 30245 1 850 . 1 1 74 74 GLU HB2 H 1 2.269 0.02 . 2 . . . . A 74 GLU HB2 . 30245 1 851 . 1 1 74 74 GLU HB3 H 1 2.145 0.02 . 2 . . . . A 74 GLU HB3 . 30245 1 852 . 1 1 74 74 GLU HG2 H 1 2.318 0.02 . 2 . . . . A 74 GLU HG2 . 30245 1 853 . 1 1 74 74 GLU HG3 H 1 2.145 0.02 . 2 . . . . A 74 GLU HG3 . 30245 1 854 . 1 1 74 74 GLU C C 13 177.293 0.1 . 1 . . . . A 74 GLU C . 30245 1 855 . 1 1 74 74 GLU CA C 13 61.242 0.1 . 1 . . . . A 74 GLU CA . 30245 1 856 . 1 1 74 74 GLU CB C 13 29.890 0.1 . 1 . . . . A 74 GLU CB . 30245 1 857 . 1 1 74 74 GLU CG C 13 37.012 0.1 . 1 . . . . A 74 GLU CG . 30245 1 858 . 1 1 74 74 GLU N N 15 123.489 0.1 . 1 . . . . A 74 GLU N . 30245 1 859 . 1 1 75 75 GLU H H 1 7.550 0.02 . 1 . . . . A 75 GLU H . 30245 1 860 . 1 1 75 75 GLU HA H 1 4.415 0.02 . 1 . . . . A 75 GLU HA . 30245 1 861 . 1 1 75 75 GLU HB2 H 1 2.171 0.02 . 2 . . . . A 75 GLU HB2 . 30245 1 862 . 1 1 75 75 GLU HB3 H 1 1.951 0.02 . 2 . . . . A 75 GLU HB3 . 30245 1 863 . 1 1 75 75 GLU HG2 H 1 2.245 0.02 . 2 . . . . A 75 GLU HG2 . 30245 1 864 . 1 1 75 75 GLU HG3 H 1 2.133 0.02 . 2 . . . . A 75 GLU HG3 . 30245 1 865 . 1 1 75 75 GLU C C 13 178.837 0.1 . 1 . . . . A 75 GLU C . 30245 1 866 . 1 1 75 75 GLU CA C 13 59.599 0.1 . 1 . . . . A 75 GLU CA . 30245 1 867 . 1 1 75 75 GLU CB C 13 29.243 0.1 . 1 . . . . A 75 GLU CB . 30245 1 868 . 1 1 75 75 GLU CG C 13 34.098 0.1 . 1 . . . . A 75 GLU CG . 30245 1 869 . 1 1 75 75 GLU N N 15 120.934 0.1 . 1 . . . . A 75 GLU N . 30245 1 870 . 1 1 76 76 LEU H H 1 8.169 0.02 . 1 . . . . A 76 LEU H . 30245 1 871 . 1 1 76 76 LEU HA H 1 3.915 0.02 . 1 . . . . A 76 LEU HA . 30245 1 872 . 1 1 76 76 LEU HB2 H 1 1.724 0.02 . 2 . . . . A 76 LEU HB2 . 30245 1 873 . 1 1 76 76 LEU HB3 H 1 1.270 0.02 . 2 . . . . A 76 LEU HB3 . 30245 1 874 . 1 1 76 76 LEU HG H 1 1.568 0.02 . 1 . . . . A 76 LEU HG . 30245 1 875 . 1 1 76 76 LEU HD11 H 1 0.354 0.02 . 2 . . . . A 76 LEU HD11 . 30245 1 876 . 1 1 76 76 LEU HD12 H 1 0.354 0.02 . 2 . . . . A 76 LEU HD12 . 30245 1 877 . 1 1 76 76 LEU HD13 H 1 0.354 0.02 . 2 . . . . A 76 LEU HD13 . 30245 1 878 . 1 1 76 76 LEU HD21 H 1 0.256 0.02 . 2 . . . . A 76 LEU HD21 . 30245 1 879 . 1 1 76 76 LEU HD22 H 1 0.256 0.02 . 2 . . . . A 76 LEU HD22 . 30245 1 880 . 1 1 76 76 LEU HD23 H 1 0.256 0.02 . 2 . . . . A 76 LEU HD23 . 30245 1 881 . 1 1 76 76 LEU C C 13 180.643 0.1 . 1 . . . . A 76 LEU C . 30245 1 882 . 1 1 76 76 LEU CA C 13 59.222 0.1 . 1 . . . . A 76 LEU CA . 30245 1 883 . 1 1 76 76 LEU CB C 13 43.412 0.1 . 1 . . . . A 76 LEU CB . 30245 1 884 . 1 1 76 76 LEU CG C 13 28.272 0.1 . 1 . . . . A 76 LEU CG . 30245 1 885 . 1 1 76 76 LEU CD1 C 13 24.711 0.1 . 1 . . . . A 76 LEU CD1 . 30245 1 886 . 1 1 76 76 LEU CD2 C 13 24.063 0.1 . 1 . . . . A 76 LEU CD2 . 30245 1 887 . 1 1 76 76 LEU N N 15 117.710 0.1 . 1 . . . . A 76 LEU N . 30245 1 888 . 1 1 77 77 THR H H 1 8.182 0.02 . 1 . . . . A 77 THR H . 30245 1 889 . 1 1 77 77 THR HA H 1 3.805 0.02 . 1 . . . . A 77 THR HA . 30245 1 890 . 1 1 77 77 THR HB H 1 4.046 0.02 . 1 . . . . A 77 THR HB . 30245 1 891 . 1 1 77 77 THR HG21 H 1 1.126 0.02 . 1 . . . . A 77 THR HG21 . 30245 1 892 . 1 1 77 77 THR HG22 H 1 1.126 0.02 . 1 . . . . A 77 THR HG22 . 30245 1 893 . 1 1 77 77 THR HG23 H 1 1.126 0.02 . 1 . . . . A 77 THR HG23 . 30245 1 894 . 1 1 77 77 THR C C 13 176.427 0.1 . 1 . . . . A 77 THR C . 30245 1 895 . 1 1 77 77 THR CA C 13 68.434 0.1 . 1 . . . . A 77 THR CA . 30245 1 896 . 1 1 77 77 THR CB C 13 68.734 0.1 . 1 . . . . A 77 THR CB . 30245 1 897 . 1 1 77 77 THR CG2 C 13 22.121 0.1 . 1 . . . . A 77 THR CG2 . 30245 1 898 . 1 1 77 77 THR N N 15 116.735 0.1 . 1 . . . . A 77 THR N . 30245 1 899 . 1 1 78 78 LYS H H 1 8.898 0.02 . 1 . . . . A 78 LYS H . 30245 1 900 . 1 1 78 78 LYS HA H 1 3.842 0.02 . 1 . . . . A 78 LYS HA . 30245 1 901 . 1 1 78 78 LYS HB2 H 1 2.010 0.02 . 1 . . . . A 78 LYS HB2 . 30245 1 902 . 1 1 78 78 LYS HG2 H 1 1.824 0.02 . 2 . . . . A 78 LYS HG2 . 30245 1 903 . 1 1 78 78 LYS HG3 H 1 1.428 0.02 . 2 . . . . A 78 LYS HG3 . 30245 1 904 . 1 1 78 78 LYS HD2 H 1 1.863 0.02 . 2 . . . . A 78 LYS HD2 . 30245 1 905 . 1 1 78 78 LYS HD3 H 1 1.800 0.02 . 2 . . . . A 78 LYS HD3 . 30245 1 906 . 1 1 78 78 LYS HE2 H 1 3.000 0.02 . 1 . . . . A 78 LYS HE2 . 30245 1 907 . 1 1 78 78 LYS C C 13 178.204 0.1 . 1 . . . . A 78 LYS C . 30245 1 908 . 1 1 78 78 LYS CA C 13 61.826 0.1 . 1 . . . . A 78 LYS CA . 30245 1 909 . 1 1 78 78 LYS CB C 13 33.183 0.1 . 1 . . . . A 78 LYS CB . 30245 1 910 . 1 1 78 78 LYS CG C 13 27.300 0.1 . 1 . . . . A 78 LYS CG . 30245 1 911 . 1 1 78 78 LYS CD C 13 30.214 0.1 . 1 . . . . A 78 LYS CD . 30245 1 912 . 1 1 78 78 LYS CE C 13 42.514 0.1 . 1 . . . . A 78 LYS CE . 30245 1 913 . 1 1 78 78 LYS N N 15 121.955 0.1 . 1 . . . . A 78 LYS N . 30245 1 914 . 1 1 79 79 TYR H H 1 8.427 0.02 . 1 . . . . A 79 TYR H . 30245 1 915 . 1 1 79 79 TYR HA H 1 4.176 0.02 . 1 . . . . A 79 TYR HA . 30245 1 916 . 1 1 79 79 TYR HB2 H 1 3.689 0.02 . 2 . . . . A 79 TYR HB2 . 30245 1 917 . 1 1 79 79 TYR HB3 H 1 3.379 0.02 . 2 . . . . A 79 TYR HB3 . 30245 1 918 . 1 1 79 79 TYR HD1 H 1 7.580 0.02 . 1 . . . . A 79 TYR HD1 . 30245 1 919 . 1 1 79 79 TYR HD2 H 1 7.580 0.02 . 1 . . . . A 79 TYR HD2 . 30245 1 920 . 1 1 79 79 TYR HE1 H 1 6.705 0.02 . 1 . . . . A 79 TYR HE1 . 30245 1 921 . 1 1 79 79 TYR HE2 H 1 6.705 0.02 . 1 . . . . A 79 TYR HE2 . 30245 1 922 . 1 1 79 79 TYR C C 13 178.512 0.1 . 1 . . . . A 79 TYR C . 30245 1 923 . 1 1 79 79 TYR CA C 13 63.212 0.1 . 1 . . . . A 79 TYR CA . 30245 1 924 . 1 1 79 79 TYR CB C 13 39.925 0.1 . 1 . . . . A 79 TYR CB . 30245 1 925 . 1 1 79 79 TYR CD1 C 13 134.380 0.1 . 1 . . . . A 79 TYR CD1 . 30245 1 926 . 1 1 79 79 TYR CE1 C 13 118.843 0.1 . 1 . . . . A 79 TYR CE1 . 30245 1 927 . 1 1 79 79 TYR N N 15 118.386 0.1 . 1 . . . . A 79 TYR N . 30245 1 928 . 1 1 80 80 TYR H H 1 7.991 0.02 . 1 . . . . A 80 TYR H . 30245 1 929 . 1 1 80 80 TYR HA H 1 3.987 0.02 . 1 . . . . A 80 TYR HA . 30245 1 930 . 1 1 80 80 TYR HB2 H 1 3.894 0.02 . 2 . . . . A 80 TYR HB2 . 30245 1 931 . 1 1 80 80 TYR HB3 H 1 2.971 0.02 . 2 . . . . A 80 TYR HB3 . 30245 1 932 . 1 1 80 80 TYR HD1 H 1 6.699 0.02 . 1 . . . . A 80 TYR HD1 . 30245 1 933 . 1 1 80 80 TYR HD2 H 1 6.699 0.02 . 1 . . . . A 80 TYR HD2 . 30245 1 934 . 1 1 80 80 TYR HE1 H 1 6.188 0.02 . 1 . . . . A 80 TYR HE1 . 30245 1 935 . 1 1 80 80 TYR HE2 H 1 6.188 0.02 . 1 . . . . A 80 TYR HE2 . 30245 1 936 . 1 1 80 80 TYR C C 13 180.500 0.1 . 1 . . . . A 80 TYR C . 30245 1 937 . 1 1 80 80 TYR CA C 13 63.279 0.1 . 1 . . . . A 80 TYR CA . 30245 1 938 . 1 1 80 80 TYR CB C 13 39.925 0.1 . 1 . . . . A 80 TYR CB . 30245 1 939 . 1 1 80 80 TYR CD1 C 13 133.085 0.1 . 1 . . . . A 80 TYR CD1 . 30245 1 940 . 1 1 80 80 TYR CE1 C 13 117.807 0.1 . 1 . . . . A 80 TYR CE1 . 30245 1 941 . 1 1 80 80 TYR N N 15 119.361 0.1 . 1 . . . . A 80 TYR N . 30245 1 942 . 1 1 81 81 LEU H H 1 8.548 0.02 . 1 . . . . A 81 LEU H . 30245 1 943 . 1 1 81 81 LEU HA H 1 3.904 0.02 . 1 . . . . A 81 LEU HA . 30245 1 944 . 1 1 81 81 LEU HB2 H 1 1.833 0.02 . 2 . . . . A 81 LEU HB2 . 30245 1 945 . 1 1 81 81 LEU HB3 H 1 1.085 0.02 . 2 . . . . A 81 LEU HB3 . 30245 1 946 . 1 1 81 81 LEU HG H 1 1.996 0.02 . 1 . . . . A 81 LEU HG . 30245 1 947 . 1 1 81 81 LEU HD11 H 1 0.856 0.02 . 2 . . . . A 81 LEU HD11 . 30245 1 948 . 1 1 81 81 LEU HD12 H 1 0.856 0.02 . 2 . . . . A 81 LEU HD12 . 30245 1 949 . 1 1 81 81 LEU HD13 H 1 0.856 0.02 . 2 . . . . A 81 LEU HD13 . 30245 1 950 . 1 1 81 81 LEU HD21 H 1 0.781 0.02 . 2 . . . . A 81 LEU HD21 . 30245 1 951 . 1 1 81 81 LEU HD22 H 1 0.781 0.02 . 2 . . . . A 81 LEU HD22 . 30245 1 952 . 1 1 81 81 LEU HD23 H 1 0.781 0.02 . 2 . . . . A 81 LEU HD23 . 30245 1 953 . 1 1 81 81 LEU C C 13 179.008 0.1 . 1 . . . . A 81 LEU C . 30245 1 954 . 1 1 81 81 LEU CA C 13 59.090 0.1 . 1 . . . . A 81 LEU CA . 30245 1 955 . 1 1 81 81 LEU CB C 13 41.543 0.1 . 1 . . . . A 81 LEU CB . 30245 1 956 . 1 1 81 81 LEU CG C 13 27.948 0.1 . 1 . . . . A 81 LEU CG . 30245 1 957 . 1 1 81 81 LEU CD1 C 13 27.624 0.1 . 1 . . . . A 81 LEU CD1 . 30245 1 958 . 1 1 81 81 LEU CD2 C 13 22.769 0.1 . 1 . . . . A 81 LEU CD2 . 30245 1 959 . 1 1 81 81 LEU N N 15 120.908 0.1 . 1 . . . . A 81 LEU N . 30245 1 960 . 1 1 82 82 ALA H H 1 8.690 0.02 . 1 . . . . A 82 ALA H . 30245 1 961 . 1 1 82 82 ALA HA H 1 4.717 0.02 . 1 . . . . A 82 ALA HA . 30245 1 962 . 1 1 82 82 ALA HB1 H 1 1.428 0.02 . 1 . . . . A 82 ALA HB1 . 30245 1 963 . 1 1 82 82 ALA HB2 H 1 1.428 0.02 . 1 . . . . A 82 ALA HB2 . 30245 1 964 . 1 1 82 82 ALA HB3 H 1 1.428 0.02 . 1 . . . . A 82 ALA HB3 . 30245 1 965 . 1 1 82 82 ALA C C 13 181.031 0.1 . 1 . . . . A 82 ALA C . 30245 1 966 . 1 1 82 82 ALA CA C 13 54.813 0.1 . 1 . . . . A 82 ALA CA . 30245 1 967 . 1 1 82 82 ALA CB C 13 18.712 0.1 . 1 . . . . A 82 ALA CB . 30245 1 968 . 1 1 82 82 ALA N N 15 122.333 0.1 . 1 . . . . A 82 ALA N . 30245 1 969 . 1 1 83 83 ASN H H 1 7.279 0.02 . 1 . . . . A 83 ASN H . 30245 1 970 . 1 1 83 83 ASN HA H 1 4.512 0.02 . 1 . . . . A 83 ASN HA . 30245 1 971 . 1 1 83 83 ASN HB2 H 1 2.838 0.02 . 2 . . . . A 83 ASN HB2 . 30245 1 972 . 1 1 83 83 ASN HB3 H 1 2.323 0.02 . 2 . . . . A 83 ASN HB3 . 30245 1 973 . 1 1 83 83 ASN HD21 H 1 6.949 0.02 . 2 . . . . A 83 ASN HD21 . 30245 1 974 . 1 1 83 83 ASN HD22 H 1 6.173 0.02 . 2 . . . . A 83 ASN HD22 . 30245 1 975 . 1 1 83 83 ASN C C 13 174.809 0.1 . 1 . . . . A 83 ASN C . 30245 1 976 . 1 1 83 83 ASN CA C 13 55.272 0.1 . 1 . . . . A 83 ASN CA . 30245 1 977 . 1 1 83 83 ASN CB C 13 40.275 0.1 . 1 . . . . A 83 ASN CB . 30245 1 978 . 1 1 83 83 ASN N N 15 113.565 0.1 . 1 . . . . A 83 ASN N . 30245 1 979 . 1 1 83 83 ASN ND2 N 15 114.119 0.1 . 1 . . . . A 83 ASN ND2 . 30245 1 980 . 1 1 84 84 HIS H H 1 7.532 0.02 . 1 . . . . A 84 HIS H . 30245 1 981 . 1 1 84 84 HIS HA H 1 4.465 0.02 . 1 . . . . A 84 HIS HA . 30245 1 982 . 1 1 84 84 HIS HB2 H 1 3.599 0.02 . 2 . . . . A 84 HIS HB2 . 30245 1 983 . 1 1 84 84 HIS HB3 H 1 2.470 0.02 . 2 . . . . A 84 HIS HB3 . 30245 1 984 . 1 1 84 84 HIS HD2 H 1 7.030 0.02 . 1 . . . . A 84 HIS HD2 . 30245 1 985 . 1 1 84 84 HIS HE1 H 1 7.632 0.02 . 1 . . . . A 84 HIS HE1 . 30245 1 986 . 1 1 84 84 HIS C C 13 174.646 0.1 . 1 . . . . A 84 HIS C . 30245 1 987 . 1 1 84 84 HIS CA C 13 57.792 0.1 . 1 . . . . A 84 HIS CA . 30245 1 988 . 1 1 84 84 HIS CB C 13 28.186 0.1 . 1 . . . . A 84 HIS CB . 30245 1 989 . 1 1 84 84 HIS CD2 C 13 121.174 0.1 . 1 . . . . A 84 HIS CD2 . 30245 1 990 . 1 1 84 84 HIS CE1 C 13 139.041 0.1 . 1 . . . . A 84 HIS CE1 . 30245 1 991 . 1 1 84 84 HIS N N 15 116.863 0.1 . 1 . . . . A 84 HIS N . 30245 1 992 . 1 1 85 85 GLY H H 1 7.586 0.02 . 1 . . . . A 85 GLY H . 30245 1 993 . 1 1 85 85 GLY HA2 H 1 4.118 0.02 . 2 . . . . A 85 GLY HA2 . 30245 1 994 . 1 1 85 85 GLY HA3 H 1 3.631 0.02 . 2 . . . . A 85 GLY HA3 . 30245 1 995 . 1 1 85 85 GLY C C 13 174.284 0.1 . 1 . . . . A 85 GLY C . 30245 1 996 . 1 1 85 85 GLY CA C 13 46.615 0.1 . 1 . . . . A 85 GLY CA . 30245 1 997 . 1 1 85 85 GLY N N 15 105.790 0.1 . 1 . . . . A 85 GLY N . 30245 1 998 . 1 1 86 86 ILE H H 1 7.458 0.02 . 1 . . . . A 86 ILE H . 30245 1 999 . 1 1 86 86 ILE HA H 1 3.969 0.02 . 1 . . . . A 86 ILE HA . 30245 1 1000 . 1 1 86 86 ILE HB H 1 1.325 0.02 . 1 . . . . A 86 ILE HB . 30245 1 1001 . 1 1 86 86 ILE HG12 H 1 1.055 0.02 . 2 . . . . A 86 ILE HG12 . 30245 1 1002 . 1 1 86 86 ILE HG13 H 1 1.025 0.02 . 2 . . . . A 86 ILE HG13 . 30245 1 1003 . 1 1 86 86 ILE HG21 H 1 0.138 0.02 . 1 . . . . A 86 ILE HG21 . 30245 1 1004 . 1 1 86 86 ILE HG22 H 1 0.138 0.02 . 1 . . . . A 86 ILE HG22 . 30245 1 1005 . 1 1 86 86 ILE HG23 H 1 0.138 0.02 . 1 . . . . A 86 ILE HG23 . 30245 1 1006 . 1 1 86 86 ILE HD11 H 1 0.594 0.02 . 1 . . . . A 86 ILE HD11 . 30245 1 1007 . 1 1 86 86 ILE HD12 H 1 0.594 0.02 . 1 . . . . A 86 ILE HD12 . 30245 1 1008 . 1 1 86 86 ILE HD13 H 1 0.594 0.02 . 1 . . . . A 86 ILE HD13 . 30245 1 1009 . 1 1 86 86 ILE C C 13 175.218 0.1 . 1 . . . . A 86 ILE C . 30245 1 1010 . 1 1 86 86 ILE CA C 13 60.353 0.1 . 1 . . . . A 86 ILE CA . 30245 1 1011 . 1 1 86 86 ILE CB C 13 37.640 0.1 . 1 . . . . A 86 ILE CB . 30245 1 1012 . 1 1 86 86 ILE CG1 C 13 28.272 0.1 . 1 . . . . A 86 ILE CG1 . 30245 1 1013 . 1 1 86 86 ILE CG2 C 13 17.913 0.1 . 1 . . . . A 86 ILE CG2 . 30245 1 1014 . 1 1 86 86 ILE CD1 C 13 12.734 0.1 . 1 . . . . A 86 ILE CD1 . 30245 1 1015 . 1 1 86 86 ILE N N 15 121.652 0.1 . 1 . . . . A 86 ILE N . 30245 1 1016 . 1 1 87 87 ASP H H 1 8.253 0.02 . 1 . . . . A 87 ASP H . 30245 1 1017 . 1 1 87 87 ASP HA H 1 4.604 0.02 . 1 . . . . A 87 ASP HA . 30245 1 1018 . 1 1 87 87 ASP HB2 H 1 2.706 0.02 . 2 . . . . A 87 ASP HB2 . 30245 1 1019 . 1 1 87 87 ASP HB3 H 1 2.553 0.02 . 2 . . . . A 87 ASP HB3 . 30245 1 1020 . 1 1 87 87 ASP C C 13 175.338 0.1 . 1 . . . . A 87 ASP C . 30245 1 1021 . 1 1 87 87 ASP CA C 13 54.301 0.1 . 1 . . . . A 87 ASP CA . 30245 1 1022 . 1 1 87 87 ASP CB C 13 40.620 0.1 . 1 . . . . A 87 ASP CB . 30245 1 1023 . 1 1 87 87 ASP N N 15 127.023 0.1 . 1 . . . . A 87 ASP N . 30245 1 1024 . 1 1 88 88 ILE H H 1 7.831 0.02 . 1 . . . . A 88 ILE H . 30245 1 1025 . 1 1 88 88 ILE HA H 1 4.254 0.02 . 1 . . . . A 88 ILE HA . 30245 1 1026 . 1 1 88 88 ILE HB H 1 1.904 0.02 . 1 . . . . A 88 ILE HB . 30245 1 1027 . 1 1 88 88 ILE HG12 H 1 1.483 0.02 . 2 . . . . A 88 ILE HG12 . 30245 1 1028 . 1 1 88 88 ILE HG13 H 1 1.220 0.02 . 2 . . . . A 88 ILE HG13 . 30245 1 1029 . 1 1 88 88 ILE HG21 H 1 0.945 0.02 . 1 . . . . A 88 ILE HG21 . 30245 1 1030 . 1 1 88 88 ILE HG22 H 1 0.945 0.02 . 1 . . . . A 88 ILE HG22 . 30245 1 1031 . 1 1 88 88 ILE HG23 H 1 0.945 0.02 . 1 . . . . A 88 ILE HG23 . 30245 1 1032 . 1 1 88 88 ILE HD11 H 1 0.870 0.02 . 1 . . . . A 88 ILE HD11 . 30245 1 1033 . 1 1 88 88 ILE HD12 H 1 0.870 0.02 . 1 . . . . A 88 ILE HD12 . 30245 1 1034 . 1 1 88 88 ILE HD13 H 1 0.870 0.02 . 1 . . . . A 88 ILE HD13 . 30245 1 1035 . 1 1 88 88 ILE C C 13 175.364 0.1 . 1 . . . . A 88 ILE C . 30245 1 1036 . 1 1 88 88 ILE CA C 13 60.912 0.1 . 1 . . . . A 88 ILE CA . 30245 1 1037 . 1 1 88 88 ILE CB C 13 39.197 0.1 . 1 . . . . A 88 ILE CB . 30245 1 1038 . 1 1 88 88 ILE CG1 C 13 27.503 0.1 . 1 . . . . A 88 ILE CG1 . 30245 1 1039 . 1 1 88 88 ILE CG2 C 13 18.171 0.1 . 1 . . . . A 88 ILE CG2 . 30245 1 1040 . 1 1 88 88 ILE CD1 C 13 14.029 0.1 . 1 . . . . A 88 ILE CD1 . 30245 1 1041 . 1 1 88 88 ILE N N 15 125.104 0.1 . 1 . . . . A 88 ILE N . 30245 1 1042 . 1 1 89 89 LYS H H 1 7.908 0.02 . 1 . . . . A 89 LYS H . 30245 1 1043 . 1 1 89 89 LYS HA H 1 4.230 0.02 . 1 . . . . A 89 LYS HA . 30245 1 1044 . 1 1 89 89 LYS HB2 H 1 1.865 0.02 . 2 . . . . A 89 LYS HB2 . 30245 1 1045 . 1 1 89 89 LYS HB3 H 1 1.779 0.02 . 2 . . . . A 89 LYS HB3 . 30245 1 1046 . 1 1 89 89 LYS HG2 H 1 1.454 0.02 . 1 . . . . A 89 LYS HG2 . 30245 1 1047 . 1 1 89 89 LYS HD2 H 1 1.709 0.02 . 1 . . . . A 89 LYS HD2 . 30245 1 1048 . 1 1 89 89 LYS HE2 H 1 3.045 0.02 . 1 . . . . A 89 LYS HE2 . 30245 1 1049 . 1 1 89 89 LYS CA C 13 58.376 0.1 . 1 . . . . A 89 LYS CA . 30245 1 1050 . 1 1 89 89 LYS CB C 13 34.098 0.1 . 1 . . . . A 89 LYS CB . 30245 1 1051 . 1 1 89 89 LYS CG C 13 25.035 0.1 . 1 . . . . A 89 LYS CG . 30245 1 1052 . 1 1 89 89 LYS CD C 13 29.566 0.1 . 1 . . . . A 89 LYS CD . 30245 1 1053 . 1 1 89 89 LYS N N 15 131.647 0.1 . 1 . . . . A 89 LYS N . 30245 1 1054 . 2 1 3 3 PHE HA H 1 4.728 0.02 . 1 . . . . B 3 PHE HA . 30245 1 1055 . 2 1 3 3 PHE HB2 H 1 3.195 0.02 . 2 . . . . B 3 PHE HB2 . 30245 1 1056 . 2 1 3 3 PHE HB3 H 1 3.045 0.02 . 2 . . . . B 3 PHE HB3 . 30245 1 1057 . 2 1 3 3 PHE CA C 13 58.376 0.1 . 1 . . . . B 3 PHE CA . 30245 1 1058 . 2 1 3 3 PHE CB C 13 40.225 0.1 . 1 . . . . B 3 PHE CB . 30245 1 1059 . 2 1 4 4 THR HA H 1 4.359 0.02 . 1 . . . . B 4 THR HA . 30245 1 1060 . 2 1 4 4 THR C C 13 174.241 0.1 . 1 . . . . B 4 THR C . 30245 1 1061 . 2 1 4 4 THR CA C 13 62.218 0.1 . 1 . . . . B 4 THR CA . 30245 1 1062 . 2 1 4 4 THR CB C 13 68.084 0.1 . 1 . . . . B 4 THR CB . 30245 1 1063 . 2 1 4 4 THR CG2 C 13 21.766 0.1 . 1 . . . . B 4 THR CG2 . 30245 1 1064 . 2 1 5 5 ASP H H 1 8.166 0.02 . 1 . . . . B 5 ASP H . 30245 1 1065 . 2 1 5 5 ASP HA H 1 4.624 0.02 . 1 . . . . B 5 ASP HA . 30245 1 1066 . 2 1 5 5 ASP HB2 H 1 2.774 0.02 . 2 . . . . B 5 ASP HB2 . 30245 1 1067 . 2 1 5 5 ASP HB3 H 1 2.671 0.02 . 2 . . . . B 5 ASP HB3 . 30245 1 1068 . 2 1 5 5 ASP C C 13 176.573 0.1 . 1 . . . . B 5 ASP C . 30245 1 1069 . 2 1 5 5 ASP CA C 13 54.959 0.1 . 1 . . . . B 5 ASP CA . 30245 1 1070 . 2 1 5 5 ASP CB C 13 41.903 0.1 . 1 . . . . B 5 ASP CB . 30245 1 1071 . 2 1 5 5 ASP N N 15 122.703 0.1 . 1 . . . . B 5 ASP N . 30245 1 1072 . 2 1 6 6 GLU H H 1 8.330 0.02 . 1 . . . . B 6 GLU H . 30245 1 1073 . 2 1 6 6 GLU HA H 1 4.316 0.02 . 1 . . . . B 6 GLU HA . 30245 1 1074 . 2 1 6 6 GLU HB2 H 1 2.109 0.02 . 2 . . . . B 6 GLU HB2 . 30245 1 1075 . 2 1 6 6 GLU HB3 H 1 1.974 0.02 . 2 . . . . B 6 GLU HB3 . 30245 1 1076 . 2 1 6 6 GLU HG2 H 1 2.273 0.02 . 1 . . . . B 6 GLU HG2 . 30245 1 1077 . 2 1 6 6 GLU C C 13 177.039 0.1 . 1 . . . . B 6 GLU C . 30245 1 1078 . 2 1 6 6 GLU CA C 13 57.445 0.1 . 1 . . . . B 6 GLU CA . 30245 1 1079 . 2 1 6 6 GLU CB C 13 30.779 0.1 . 1 . . . . B 6 GLU CB . 30245 1 1080 . 2 1 6 6 GLU CG C 13 37.022 0.1 . 1 . . . . B 6 GLU CG . 30245 1 1081 . 2 1 6 6 GLU N N 15 121.507 0.1 . 1 . . . . B 6 GLU N . 30245 1 1082 . 2 1 7 7 THR H H 1 8.142 0.02 . 1 . . . . B 7 THR H . 30245 1 1083 . 2 1 7 7 THR HA H 1 4.289 0.02 . 1 . . . . B 7 THR HA . 30245 1 1084 . 2 1 7 7 THR HB H 1 4.170 0.02 . 1 . . . . B 7 THR HB . 30245 1 1085 . 2 1 7 7 THR HG21 H 1 1.168 0.02 . 1 . . . . B 7 THR HG21 . 30245 1 1086 . 2 1 7 7 THR HG22 H 1 1.168 0.02 . 1 . . . . B 7 THR HG22 . 30245 1 1087 . 2 1 7 7 THR HG23 H 1 1.168 0.02 . 1 . . . . B 7 THR HG23 . 30245 1 1088 . 2 1 7 7 THR C C 13 174.893 0.1 . 1 . . . . B 7 THR C . 30245 1 1089 . 2 1 7 7 THR CA C 13 63.131 0.1 . 1 . . . . B 7 THR CA . 30245 1 1090 . 2 1 7 7 THR CB C 13 70.469 0.1 . 1 . . . . B 7 THR CB . 30245 1 1091 . 2 1 7 7 THR CG2 C 13 22.277 0.1 . 1 . . . . B 7 THR CG2 . 30245 1 1092 . 2 1 7 7 THR N N 15 115.417 0.1 . 1 . . . . B 7 THR N . 30245 1 1093 . 2 1 8 8 VAL H H 1 7.896 0.02 . 1 . . . . B 8 VAL H . 30245 1 1094 . 2 1 8 8 VAL HA H 1 4.066 0.02 . 1 . . . . B 8 VAL HA . 30245 1 1095 . 2 1 8 8 VAL HB H 1 1.952 0.02 . 1 . . . . B 8 VAL HB . 30245 1 1096 . 2 1 8 8 VAL HG11 H 1 0.831 0.02 . 2 . . . . B 8 VAL HG11 . 30245 1 1097 . 2 1 8 8 VAL HG12 H 1 0.831 0.02 . 2 . . . . B 8 VAL HG12 . 30245 1 1098 . 2 1 8 8 VAL HG13 H 1 0.831 0.02 . 2 . . . . B 8 VAL HG13 . 30245 1 1099 . 2 1 8 8 VAL HG21 H 1 0.775 0.02 . 2 . . . . B 8 VAL HG21 . 30245 1 1100 . 2 1 8 8 VAL HG22 H 1 0.775 0.02 . 2 . . . . B 8 VAL HG22 . 30245 1 1101 . 2 1 8 8 VAL HG23 H 1 0.775 0.02 . 2 . . . . B 8 VAL HG23 . 30245 1 1102 . 2 1 8 8 VAL C C 13 175.724 0.1 . 1 . . . . B 8 VAL C . 30245 1 1103 . 2 1 8 8 VAL CA C 13 62.707 0.1 . 1 . . . . B 8 VAL CA . 30245 1 1104 . 2 1 8 8 VAL CB C 13 33.136 0.1 . 1 . . . . B 8 VAL CB . 30245 1 1105 . 2 1 8 8 VAL CG1 C 13 21.344 0.1 . 1 . . . . B 8 VAL CG1 . 30245 1 1106 . 2 1 8 8 VAL CG2 C 13 21.717 0.1 . 1 . . . . B 8 VAL CG2 . 30245 1 1107 . 2 1 8 8 VAL N N 15 122.882 0.1 . 1 . . . . B 8 VAL N . 30245 1 1108 . 2 1 9 9 ARG H H 1 8.012 0.02 . 1 . . . . B 9 ARG H . 30245 1 1109 . 2 1 9 9 ARG HA H 1 4.309 0.02 . 1 . . . . B 9 ARG HA . 30245 1 1110 . 2 1 9 9 ARG HB2 H 1 1.701 0.02 . 2 . . . . B 9 ARG HB2 . 30245 1 1111 . 2 1 9 9 ARG HB3 H 1 1.640 0.02 . 2 . . . . B 9 ARG HB3 . 30245 1 1112 . 2 1 9 9 ARG HG2 H 1 1.509 0.02 . 2 . . . . B 9 ARG HG2 . 30245 1 1113 . 2 1 9 9 ARG HG3 H 1 1.420 0.02 . 2 . . . . B 9 ARG HG3 . 30245 1 1114 . 2 1 9 9 ARG HD2 H 1 3.118 0.02 . 1 . . . . B 9 ARG HD2 . 30245 1 1115 . 2 1 9 9 ARG C C 13 176.000 0.1 . 1 . . . . B 9 ARG C . 30245 1 1116 . 2 1 9 9 ARG CA C 13 56.145 0.1 . 1 . . . . B 9 ARG CA . 30245 1 1117 . 2 1 9 9 ARG CB C 13 31.835 0.1 . 1 . . . . B 9 ARG CB . 30245 1 1118 . 2 1 9 9 ARG CG C 13 27.876 0.1 . 1 . . . . B 9 ARG CG . 30245 1 1119 . 2 1 9 9 ARG CD C 13 43.809 0.1 . 1 . . . . B 9 ARG CD . 30245 1 1120 . 2 1 9 9 ARG N N 15 124.175 0.1 . 1 . . . . B 9 ARG N . 30245 1 1121 . 2 1 10 10 PHE H H 1 8.226 0.02 . 1 . . . . B 10 PHE H . 30245 1 1122 . 2 1 10 10 PHE HA H 1 4.615 0.02 . 1 . . . . B 10 PHE HA . 30245 1 1123 . 2 1 10 10 PHE HB2 H 1 3.043 0.02 . 2 . . . . B 10 PHE HB2 . 30245 1 1124 . 2 1 10 10 PHE HB3 H 1 2.859 0.02 . 2 . . . . B 10 PHE HB3 . 30245 1 1125 . 2 1 10 10 PHE HD1 H 1 7.174 0.02 . 1 . . . . B 10 PHE HD1 . 30245 1 1126 . 2 1 10 10 PHE HD2 H 1 7.174 0.02 . 1 . . . . B 10 PHE HD2 . 30245 1 1127 . 2 1 10 10 PHE C C 13 175.407 0.1 . 1 . . . . B 10 PHE C . 30245 1 1128 . 2 1 10 10 PHE CA C 13 58.044 0.1 . 1 . . . . B 10 PHE CA . 30245 1 1129 . 2 1 10 10 PHE CB C 13 40.125 0.1 . 1 . . . . B 10 PHE CB . 30245 1 1130 . 2 1 10 10 PHE CD1 C 13 132.309 0.1 . 1 . . . . B 10 PHE CD1 . 30245 1 1131 . 2 1 10 10 PHE N N 15 121.954 0.1 . 1 . . . . B 10 PHE N . 30245 1 1132 . 2 1 11 11 ASP H H 1 8.148 0.02 . 1 . . . . B 11 ASP H . 30245 1 1133 . 2 1 11 11 ASP HA H 1 4.571 0.02 . 1 . . . . B 11 ASP HA . 30245 1 1134 . 2 1 11 11 ASP HB2 H 1 2.564 0.02 . 1 . . . . B 11 ASP HB2 . 30245 1 1135 . 2 1 11 11 ASP C C 13 176.000 0.1 . 1 . . . . B 11 ASP C . 30245 1 1136 . 2 1 11 11 ASP CA C 13 54.553 0.1 . 1 . . . . B 11 ASP CA . 30245 1 1137 . 2 1 11 11 ASP CB C 13 41.889 0.1 . 1 . . . . B 11 ASP CB . 30245 1 1138 . 2 1 11 11 ASP N N 15 121.918 0.1 . 1 . . . . B 11 ASP N . 30245 1 1139 . 2 1 12 12 PHE H H 1 7.958 0.02 . 1 . . . . B 12 PHE H . 30245 1 1140 . 2 1 12 12 PHE HA H 1 4.558 0.02 . 1 . . . . B 12 PHE HA . 30245 1 1141 . 2 1 12 12 PHE HB2 H 1 3.167 0.02 . 2 . . . . B 12 PHE HB2 . 30245 1 1142 . 2 1 12 12 PHE HB3 H 1 3.032 0.02 . 2 . . . . B 12 PHE HB3 . 30245 1 1143 . 2 1 12 12 PHE HD1 H 1 7.271 0.02 . 1 . . . . B 12 PHE HD1 . 30245 1 1144 . 2 1 12 12 PHE HD2 H 1 7.271 0.02 . 1 . . . . B 12 PHE HD2 . 30245 1 1145 . 2 1 12 12 PHE C C 13 175.947 0.1 . 1 . . . . B 12 PHE C . 30245 1 1146 . 2 1 12 12 PHE CA C 13 58.541 0.1 . 1 . . . . B 12 PHE CA . 30245 1 1147 . 2 1 12 12 PHE CB C 13 40.094 0.1 . 1 . . . . B 12 PHE CB . 30245 1 1148 . 2 1 12 12 PHE CD1 C 13 132.309 0.1 . 1 . . . . B 12 PHE CD1 . 30245 1 1149 . 2 1 12 12 PHE N N 15 120.505 0.1 . 1 . . . . B 12 PHE N . 30245 1 1150 . 2 1 13 13 ASP H H 1 8.193 0.02 . 1 . . . . B 13 ASP H . 30245 1 1151 . 2 1 13 13 ASP HA H 1 4.580 0.02 . 1 . . . . B 13 ASP HA . 30245 1 1152 . 2 1 13 13 ASP HB2 H 1 2.667 0.02 . 1 . . . . B 13 ASP HB2 . 30245 1 1153 . 2 1 13 13 ASP C C 13 176.487 0.1 . 1 . . . . B 13 ASP C . 30245 1 1154 . 2 1 13 13 ASP CA C 13 55.165 0.1 . 1 . . . . B 13 ASP CA . 30245 1 1155 . 2 1 13 13 ASP CB C 13 42.280 0.1 . 1 . . . . B 13 ASP CB . 30245 1 1156 . 2 1 13 13 ASP N N 15 121.885 0.1 . 1 . . . . B 13 ASP N . 30245 1 1157 . 2 1 14 14 ASP H H 1 8.124 0.02 . 1 . . . . B 14 ASP H . 30245 1 1158 . 2 1 14 14 ASP HA H 1 4.516 0.02 . 1 . . . . B 14 ASP HA . 30245 1 1159 . 2 1 14 14 ASP HB2 H 1 2.687 0.02 . 1 . . . . B 14 ASP HB2 . 30245 1 1160 . 2 1 14 14 ASP C C 13 177.039 0.1 . 1 . . . . B 14 ASP C . 30245 1 1161 . 2 1 14 14 ASP CA C 13 55.539 0.1 . 1 . . . . B 14 ASP CA . 30245 1 1162 . 2 1 14 14 ASP CB C 13 41.856 0.1 . 1 . . . . B 14 ASP CB . 30245 1 1163 . 2 1 14 14 ASP N N 15 121.296 0.1 . 1 . . . . B 14 ASP N . 30245 1 1164 . 2 1 15 15 ASN H H 1 8.320 0.02 . 1 . . . . B 15 ASN H . 30245 1 1165 . 2 1 15 15 ASN HA H 1 4.628 0.02 . 1 . . . . B 15 ASN HA . 30245 1 1166 . 2 1 15 15 ASN HB2 H 1 2.827 0.02 . 1 . . . . B 15 ASN HB2 . 30245 1 1167 . 2 1 15 15 ASN HD21 H 1 7.434 0.02 . 2 . . . . B 15 ASN HD21 . 30245 1 1168 . 2 1 15 15 ASN HD22 H 1 6.747 0.02 . 2 . . . . B 15 ASN HD22 . 30245 1 1169 . 2 1 15 15 ASN C C 13 176.256 0.1 . 1 . . . . B 15 ASN C . 30245 1 1170 . 2 1 15 15 ASN CA C 13 54.629 0.1 . 1 . . . . B 15 ASN CA . 30245 1 1171 . 2 1 15 15 ASN CB C 13 39.216 0.1 . 1 . . . . B 15 ASN CB . 30245 1 1172 . 2 1 15 15 ASN N N 15 118.912 0.1 . 1 . . . . B 15 ASN N . 30245 1 1173 . 2 1 15 15 ASN ND2 N 15 112.142 0.1 . 1 . . . . B 15 ASN ND2 . 30245 1 1174 . 2 1 16 16 ARG H H 1 8.006 0.02 . 1 . . . . B 16 ARG H . 30245 1 1175 . 2 1 16 16 ARG HA H 1 4.242 0.02 . 1 . . . . B 16 ARG HA . 30245 1 1176 . 2 1 16 16 ARG HB2 H 1 1.896 0.02 . 2 . . . . B 16 ARG HB2 . 30245 1 1177 . 2 1 16 16 ARG HB3 H 1 1.818 0.02 . 2 . . . . B 16 ARG HB3 . 30245 1 1178 . 2 1 16 16 ARG HG2 H 1 1.616 0.02 . 1 . . . . B 16 ARG HG2 . 30245 1 1179 . 2 1 16 16 ARG HD2 H 1 3.207 0.02 . 1 . . . . B 16 ARG HD2 . 30245 1 1180 . 2 1 16 16 ARG C C 13 177.099 0.1 . 1 . . . . B 16 ARG C . 30245 1 1181 . 2 1 16 16 ARG CA C 13 57.776 0.1 . 1 . . . . B 16 ARG CA . 30245 1 1182 . 2 1 16 16 ARG CB C 13 30.861 0.1 . 1 . . . . B 16 ARG CB . 30245 1 1183 . 2 1 16 16 ARG CG C 13 27.690 0.1 . 1 . . . . B 16 ARG CG . 30245 1 1184 . 2 1 16 16 ARG CD C 13 43.809 0.1 . 1 . . . . B 16 ARG CD . 30245 1 1185 . 2 1 16 16 ARG N N 15 120.924 0.1 . 1 . . . . B 16 ARG N . 30245 1 1186 . 2 1 17 17 LYS H H 1 8.114 0.02 . 1 . . . . B 17 LYS H . 30245 1 1187 . 2 1 17 17 LYS HA H 1 4.138 0.02 . 1 . . . . B 17 LYS HA . 30245 1 1188 . 2 1 17 17 LYS HB2 H 1 1.852 0.02 . 2 . . . . B 17 LYS HB2 . 30245 1 1189 . 2 1 17 17 LYS HB3 H 1 1.812 0.02 . 2 . . . . B 17 LYS HB3 . 30245 1 1190 . 2 1 17 17 LYS HG2 H 1 1.424 0.02 . 1 . . . . B 17 LYS HG2 . 30245 1 1191 . 2 1 17 17 LYS HD2 H 1 1.681 0.02 . 1 . . . . B 17 LYS HD2 . 30245 1 1192 . 2 1 17 17 LYS HE2 H 1 3.010 0.02 . 1 . . . . B 17 LYS HE2 . 30245 1 1193 . 2 1 17 17 LYS C C 13 177.602 0.1 . 1 . . . . B 17 LYS C . 30245 1 1194 . 2 1 17 17 LYS CA C 13 57.985 0.1 . 1 . . . . B 17 LYS CA . 30245 1 1195 . 2 1 17 17 LYS CB C 13 33.277 0.1 . 1 . . . . B 17 LYS CB . 30245 1 1196 . 2 1 17 17 LYS CG C 13 25.637 0.1 . 1 . . . . B 17 LYS CG . 30245 1 1197 . 2 1 17 17 LYS CD C 13 29.566 0.1 . 1 . . . . B 17 LYS CD . 30245 1 1198 . 2 1 17 17 LYS N N 15 121.442 0.1 . 1 . . . . B 17 LYS N . 30245 1 1199 . 2 1 18 18 LYS H H 1 8.120 0.02 . 1 . . . . B 18 LYS H . 30245 1 1200 . 2 1 18 18 LYS HA H 1 4.309 0.02 . 1 . . . . B 18 LYS HA . 30245 1 1201 . 2 1 18 18 LYS HB2 H 1 1.867 0.02 . 2 . . . . B 18 LYS HB2 . 30245 1 1202 . 2 1 18 18 LYS HB3 H 1 1.803 0.02 . 2 . . . . B 18 LYS HB3 . 30245 1 1203 . 2 1 18 18 LYS HG2 H 1 1.486 0.02 . 1 . . . . B 18 LYS HG2 . 30245 1 1204 . 2 1 18 18 LYS HD2 H 1 1.672 0.02 . 1 . . . . B 18 LYS HD2 . 30245 1 1205 . 2 1 18 18 LYS HE2 H 1 3.013 0.02 . 1 . . . . B 18 LYS HE2 . 30245 1 1206 . 2 1 18 18 LYS C C 13 177.096 0.1 . 1 . . . . B 18 LYS C . 30245 1 1207 . 2 1 18 18 LYS CA C 13 57.117 0.1 . 1 . . . . B 18 LYS CA . 30245 1 1208 . 2 1 18 18 LYS CB C 13 33.900 0.1 . 1 . . . . B 18 LYS CB . 30245 1 1209 . 2 1 18 18 LYS CG C 13 25.682 0.1 . 1 . . . . B 18 LYS CG . 30245 1 1210 . 2 1 18 18 LYS CD C 13 29.566 0.1 . 1 . . . . B 18 LYS CD . 30245 1 1211 . 2 1 18 18 LYS N N 15 122.812 0.1 . 1 . . . . B 18 LYS N . 30245 1 1212 . 2 1 19 19 ALA H H 1 8.325 0.02 . 1 . . . . B 19 ALA H . 30245 1 1213 . 2 1 19 19 ALA HA H 1 4.413 0.02 . 1 . . . . B 19 ALA HA . 30245 1 1214 . 2 1 19 19 ALA HB1 H 1 1.566 0.02 . 1 . . . . B 19 ALA HB1 . 30245 1 1215 . 2 1 19 19 ALA HB2 H 1 1.566 0.02 . 1 . . . . B 19 ALA HB2 . 30245 1 1216 . 2 1 19 19 ALA HB3 H 1 1.566 0.02 . 1 . . . . B 19 ALA HB3 . 30245 1 1217 . 2 1 19 19 ALA C C 13 179.372 0.1 . 1 . . . . B 19 ALA C . 30245 1 1218 . 2 1 19 19 ALA CA C 13 53.520 0.1 . 1 . . . . B 19 ALA CA . 30245 1 1219 . 2 1 19 19 ALA CB C 13 19.531 0.1 . 1 . . . . B 19 ALA CB . 30245 1 1220 . 2 1 19 19 ALA N N 15 123.622 0.1 . 1 . . . . B 19 ALA N . 30245 1 1221 . 2 1 20 20 ILE H H 1 8.331 0.02 . 1 . . . . B 20 ILE H . 30245 1 1222 . 2 1 20 20 ILE HA H 1 3.187 0.02 . 1 . . . . B 20 ILE HA . 30245 1 1223 . 2 1 20 20 ILE HB H 1 1.610 0.02 . 1 . . . . B 20 ILE HB . 30245 1 1224 . 2 1 20 20 ILE HG12 H 1 1.342 0.02 . 2 . . . . B 20 ILE HG12 . 30245 1 1225 . 2 1 20 20 ILE HG13 H 1 0.023 0.02 . 2 . . . . B 20 ILE HG13 . 30245 1 1226 . 2 1 20 20 ILE HG21 H 1 0.531 0.02 . 1 . . . . B 20 ILE HG21 . 30245 1 1227 . 2 1 20 20 ILE HG22 H 1 0.531 0.02 . 1 . . . . B 20 ILE HG22 . 30245 1 1228 . 2 1 20 20 ILE HG23 H 1 0.531 0.02 . 1 . . . . B 20 ILE HG23 . 30245 1 1229 . 2 1 20 20 ILE HD11 H 1 0.586 0.02 . 1 . . . . B 20 ILE HD11 . 30245 1 1230 . 2 1 20 20 ILE HD12 H 1 0.586 0.02 . 1 . . . . B 20 ILE HD12 . 30245 1 1231 . 2 1 20 20 ILE HD13 H 1 0.586 0.02 . 1 . . . . B 20 ILE HD13 . 30245 1 1232 . 2 1 20 20 ILE C C 13 177.753 0.1 . 1 . . . . B 20 ILE C . 30245 1 1233 . 2 1 20 20 ILE CA C 13 66.247 0.1 . 1 . . . . B 20 ILE CA . 30245 1 1234 . 2 1 20 20 ILE CB C 13 37.983 0.1 . 1 . . . . B 20 ILE CB . 30245 1 1235 . 2 1 20 20 ILE CG1 C 13 29.243 0.1 . 1 . . . . B 20 ILE CG1 . 30245 1 1236 . 2 1 20 20 ILE CG2 C 13 17.589 0.1 . 1 . . . . B 20 ILE CG2 . 30245 1 1237 . 2 1 20 20 ILE CD1 C 13 14.029 0.1 . 1 . . . . B 20 ILE CD1 . 30245 1 1238 . 2 1 20 20 ILE N N 15 122.213 0.1 . 1 . . . . B 20 ILE N . 30245 1 1239 . 2 1 21 21 SER H H 1 8.237 0.02 . 1 . . . . B 21 SER H . 30245 1 1240 . 2 1 21 21 SER HA H 1 3.954 0.02 . 1 . . . . B 21 SER HA . 30245 1 1241 . 2 1 21 21 SER HB2 H 1 3.855 0.02 . 2 . . . . B 21 SER HB2 . 30245 1 1242 . 2 1 21 21 SER HB3 H 1 3.679 0.02 . 2 . . . . B 21 SER HB3 . 30245 1 1243 . 2 1 21 21 SER HG H 1 6.227 0.02 . 1 . . . . B 21 SER HG . 30245 1 1244 . 2 1 21 21 SER C C 13 176.882 0.1 . 1 . . . . B 21 SER C . 30245 1 1245 . 2 1 21 21 SER CA C 13 62.547 0.1 . 1 . . . . B 21 SER CA . 30245 1 1246 . 2 1 21 21 SER CB C 13 61.937 0.1 . 1 . . . . B 21 SER CB . 30245 1 1247 . 2 1 21 21 SER N N 15 114.975 0.1 . 1 . . . . B 21 SER N . 30245 1 1248 . 2 1 22 22 GLU H H 1 7.287 0.02 . 1 . . . . B 22 GLU H . 30245 1 1249 . 2 1 22 22 GLU HA H 1 4.218 0.02 . 1 . . . . B 22 GLU HA . 30245 1 1250 . 2 1 22 22 GLU HB2 H 1 2.218 0.02 . 2 . . . . B 22 GLU HB2 . 30245 1 1251 . 2 1 22 22 GLU HB3 H 1 2.139 0.02 . 2 . . . . B 22 GLU HB3 . 30245 1 1252 . 2 1 22 22 GLU HG2 H 1 2.403 0.02 . 2 . . . . B 22 GLU HG2 . 30245 1 1253 . 2 1 22 22 GLU HG3 H 1 2.256 0.02 . 2 . . . . B 22 GLU HG3 . 30245 1 1254 . 2 1 22 22 GLU C C 13 179.947 0.1 . 1 . . . . B 22 GLU C . 30245 1 1255 . 2 1 22 22 GLU CA C 13 59.660 0.1 . 1 . . . . B 22 GLU CA . 30245 1 1256 . 2 1 22 22 GLU CB C 13 30.449 0.1 . 1 . . . . B 22 GLU CB . 30245 1 1257 . 2 1 22 22 GLU CG C 13 37.335 0.1 . 1 . . . . B 22 GLU CG . 30245 1 1258 . 2 1 22 22 GLU N N 15 122.757 0.1 . 1 . . . . B 22 GLU N . 30245 1 1259 . 2 1 23 23 THR H H 1 8.466 0.02 . 1 . . . . B 23 THR H . 30245 1 1260 . 2 1 23 23 THR HA H 1 3.789 0.02 . 1 . . . . B 23 THR HA . 30245 1 1261 . 2 1 23 23 THR HB H 1 4.376 0.02 . 1 . . . . B 23 THR HB . 30245 1 1262 . 2 1 23 23 THR HG21 H 1 1.162 0.02 . 1 . . . . B 23 THR HG21 . 30245 1 1263 . 2 1 23 23 THR HG22 H 1 1.162 0.02 . 1 . . . . B 23 THR HG22 . 30245 1 1264 . 2 1 23 23 THR HG23 H 1 1.162 0.02 . 1 . . . . B 23 THR HG23 . 30245 1 1265 . 2 1 23 23 THR C C 13 176.326 0.1 . 1 . . . . B 23 THR C . 30245 1 1266 . 2 1 23 23 THR CA C 13 67.892 0.1 . 1 . . . . B 23 THR CA . 30245 1 1267 . 2 1 23 23 THR CB C 13 67.993 0.1 . 1 . . . . B 23 THR CB . 30245 1 1268 . 2 1 23 23 THR CG2 C 13 23.416 0.1 . 1 . . . . B 23 THR CG2 . 30245 1 1269 . 2 1 23 23 THR N N 15 119.291 0.1 . 1 . . . . B 23 THR N . 30245 1 1270 . 2 1 24 24 LEU H H 1 8.584 0.02 . 1 . . . . B 24 LEU H . 30245 1 1271 . 2 1 24 24 LEU HA H 1 3.919 0.02 . 1 . . . . B 24 LEU HA . 30245 1 1272 . 2 1 24 24 LEU HB2 H 1 1.886 0.02 . 2 . . . . B 24 LEU HB2 . 30245 1 1273 . 2 1 24 24 LEU HB3 H 1 1.318 0.02 . 2 . . . . B 24 LEU HB3 . 30245 1 1274 . 2 1 24 24 LEU HG H 1 1.784 0.02 . 1 . . . . B 24 LEU HG . 30245 1 1275 . 2 1 24 24 LEU HD11 H 1 0.594 0.02 . 2 . . . . B 24 LEU HD11 . 30245 1 1276 . 2 1 24 24 LEU HD12 H 1 0.594 0.02 . 2 . . . . B 24 LEU HD12 . 30245 1 1277 . 2 1 24 24 LEU HD13 H 1 0.594 0.02 . 2 . . . . B 24 LEU HD13 . 30245 1 1278 . 2 1 24 24 LEU HD21 H 1 0.727 0.02 . 2 . . . . B 24 LEU HD21 . 30245 1 1279 . 2 1 24 24 LEU HD22 H 1 0.727 0.02 . 2 . . . . B 24 LEU HD22 . 30245 1 1280 . 2 1 24 24 LEU HD23 H 1 0.727 0.02 . 2 . . . . B 24 LEU HD23 . 30245 1 1281 . 2 1 24 24 LEU C C 13 178.539 0.1 . 1 . . . . B 24 LEU C . 30245 1 1282 . 2 1 24 24 LEU CA C 13 58.955 0.1 . 1 . . . . B 24 LEU CA . 30245 1 1283 . 2 1 24 24 LEU CB C 13 41.998 0.1 . 1 . . . . B 24 LEU CB . 30245 1 1284 . 2 1 24 24 LEU CG C 13 27.624 0.1 . 1 . . . . B 24 LEU CG . 30245 1 1285 . 2 1 24 24 LEU CD1 C 13 26.395 0.1 . 1 . . . . B 24 LEU CD1 . 30245 1 1286 . 2 1 24 24 LEU CD2 C 13 22.866 0.1 . 1 . . . . B 24 LEU CD2 . 30245 1 1287 . 2 1 24 24 LEU N N 15 119.050 0.1 . 1 . . . . B 24 LEU N . 30245 1 1288 . 2 1 25 25 GLU H H 1 8.167 0.02 . 1 . . . . B 25 GLU H . 30245 1 1289 . 2 1 25 25 GLU HA H 1 3.849 0.02 . 1 . . . . B 25 GLU HA . 30245 1 1290 . 2 1 25 25 GLU HB2 H 1 2.222 0.02 . 2 . . . . B 25 GLU HB2 . 30245 1 1291 . 2 1 25 25 GLU HB3 H 1 2.163 0.02 . 2 . . . . B 25 GLU HB3 . 30245 1 1292 . 2 1 25 25 GLU HG2 H 1 2.305 0.02 . 2 . . . . B 25 GLU HG2 . 30245 1 1293 . 2 1 25 25 GLU HG3 H 1 2.236 0.02 . 2 . . . . B 25 GLU HG3 . 30245 1 1294 . 2 1 25 25 GLU C C 13 178.186 0.1 . 1 . . . . B 25 GLU C . 30245 1 1295 . 2 1 25 25 GLU CA C 13 60.992 0.1 . 1 . . . . B 25 GLU CA . 30245 1 1296 . 2 1 25 25 GLU CB C 13 29.700 0.1 . 1 . . . . B 25 GLU CB . 30245 1 1297 . 2 1 25 25 GLU CG C 13 36.365 0.1 . 1 . . . . B 25 GLU CG . 30245 1 1298 . 2 1 25 25 GLU N N 15 119.549 0.1 . 1 . . . . B 25 GLU N . 30245 1 1299 . 2 1 26 26 THR H H 1 7.998 0.02 . 1 . . . . B 26 THR H . 30245 1 1300 . 2 1 26 26 THR HA H 1 3.964 0.02 . 1 . . . . B 26 THR HA . 30245 1 1301 . 2 1 26 26 THR HB H 1 4.299 0.02 . 1 . . . . B 26 THR HB . 30245 1 1302 . 2 1 26 26 THR HG21 H 1 1.237 0.02 . 1 . . . . B 26 THR HG21 . 30245 1 1303 . 2 1 26 26 THR HG22 H 1 1.237 0.02 . 1 . . . . B 26 THR HG22 . 30245 1 1304 . 2 1 26 26 THR HG23 H 1 1.237 0.02 . 1 . . . . B 26 THR HG23 . 30245 1 1305 . 2 1 26 26 THR C C 13 177.285 0.1 . 1 . . . . B 26 THR C . 30245 1 1306 . 2 1 26 26 THR CA C 13 67.722 0.1 . 1 . . . . B 26 THR CA . 30245 1 1307 . 2 1 26 26 THR CB C 13 69.434 0.1 . 1 . . . . B 26 THR CB . 30245 1 1308 . 2 1 26 26 THR CG2 C 13 22.116 0.1 . 1 . . . . B 26 THR CG2 . 30245 1 1309 . 2 1 26 26 THR N N 15 116.364 0.1 . 1 . . . . B 26 THR N . 30245 1 1310 . 2 1 27 27 VAL H H 1 8.500 0.02 . 1 . . . . B 27 VAL H . 30245 1 1311 . 2 1 27 27 VAL HA H 1 3.509 0.02 . 1 . . . . B 27 VAL HA . 30245 1 1312 . 2 1 27 27 VAL HB H 1 2.182 0.02 . 1 . . . . B 27 VAL HB . 30245 1 1313 . 2 1 27 27 VAL HG11 H 1 1.099 0.02 . 2 . . . . B 27 VAL HG11 . 30245 1 1314 . 2 1 27 27 VAL HG12 H 1 1.099 0.02 . 2 . . . . B 27 VAL HG12 . 30245 1 1315 . 2 1 27 27 VAL HG13 H 1 1.099 0.02 . 2 . . . . B 27 VAL HG13 . 30245 1 1316 . 2 1 27 27 VAL HG21 H 1 0.909 0.02 . 2 . . . . B 27 VAL HG21 . 30245 1 1317 . 2 1 27 27 VAL HG22 H 1 0.909 0.02 . 2 . . . . B 27 VAL HG22 . 30245 1 1318 . 2 1 27 27 VAL HG23 H 1 0.909 0.02 . 2 . . . . B 27 VAL HG23 . 30245 1 1319 . 2 1 27 27 VAL C C 13 177.003 0.1 . 1 . . . . B 27 VAL C . 30245 1 1320 . 2 1 27 27 VAL CA C 13 67.545 0.1 . 1 . . . . B 27 VAL CA . 30245 1 1321 . 2 1 27 27 VAL CB C 13 32.480 0.1 . 1 . . . . B 27 VAL CB . 30245 1 1322 . 2 1 27 27 VAL CG1 C 13 24.387 0.1 . 1 . . . . B 27 VAL CG1 . 30245 1 1323 . 2 1 27 27 VAL CG2 C 13 22.445 0.1 . 1 . . . . B 27 VAL CG2 . 30245 1 1324 . 2 1 27 27 VAL N N 15 121.571 0.1 . 1 . . . . B 27 VAL N . 30245 1 1325 . 2 1 28 28 TYR H H 1 8.753 0.02 . 1 . . . . B 28 TYR H . 30245 1 1326 . 2 1 28 28 TYR HA H 1 3.763 0.02 . 1 . . . . B 28 TYR HA . 30245 1 1327 . 2 1 28 28 TYR HB2 H 1 3.413 0.02 . 2 . . . . B 28 TYR HB2 . 30245 1 1328 . 2 1 28 28 TYR HB3 H 1 2.934 0.02 . 2 . . . . B 28 TYR HB3 . 30245 1 1329 . 2 1 28 28 TYR HD1 H 1 6.748 0.02 . 1 . . . . B 28 TYR HD1 . 30245 1 1330 . 2 1 28 28 TYR HD2 H 1 6.748 0.02 . 1 . . . . B 28 TYR HD2 . 30245 1 1331 . 2 1 28 28 TYR HE1 H 1 6.697 0.02 . 1 . . . . B 28 TYR HE1 . 30245 1 1332 . 2 1 28 28 TYR HE2 H 1 6.697 0.02 . 1 . . . . B 28 TYR HE2 . 30245 1 1333 . 2 1 28 28 TYR C C 13 177.328 0.1 . 1 . . . . B 28 TYR C . 30245 1 1334 . 2 1 28 28 TYR CA C 13 63.548 0.1 . 1 . . . . B 28 TYR CA . 30245 1 1335 . 2 1 28 28 TYR CB C 13 39.300 0.1 . 1 . . . . B 28 TYR CB . 30245 1 1336 . 2 1 28 28 TYR CD1 C 13 133.344 0.1 . 1 . . . . B 28 TYR CD1 . 30245 1 1337 . 2 1 28 28 TYR CE1 C 13 118.843 0.1 . 1 . . . . B 28 TYR CE1 . 30245 1 1338 . 2 1 28 28 TYR N N 15 120.213 0.1 . 1 . . . . B 28 TYR N . 30245 1 1339 . 2 1 29 29 ARG H H 1 8.341 0.02 . 1 . . . . B 29 ARG H . 30245 1 1340 . 2 1 29 29 ARG HA H 1 4.231 0.02 . 1 . . . . B 29 ARG HA . 30245 1 1341 . 2 1 29 29 ARG HB2 H 1 2.166 0.02 . 2 . . . . B 29 ARG HB2 . 30245 1 1342 . 2 1 29 29 ARG HB3 H 1 2.095 0.02 . 2 . . . . B 29 ARG HB3 . 30245 1 1343 . 2 1 29 29 ARG HG2 H 1 2.135 0.02 . 2 . . . . B 29 ARG HG2 . 30245 1 1344 . 2 1 29 29 ARG HG3 H 1 1.984 0.02 . 2 . . . . B 29 ARG HG3 . 30245 1 1345 . 2 1 29 29 ARG HD2 H 1 3.432 0.02 . 2 . . . . B 29 ARG HD2 . 30245 1 1346 . 2 1 29 29 ARG HD3 H 1 3.326 0.02 . 2 . . . . B 29 ARG HD3 . 30245 1 1347 . 2 1 29 29 ARG C C 13 179.274 0.1 . 1 . . . . B 29 ARG C . 30245 1 1348 . 2 1 29 29 ARG CA C 13 59.812 0.1 . 1 . . . . B 29 ARG CA . 30245 1 1349 . 2 1 29 29 ARG CB C 13 30.449 0.1 . 1 . . . . B 29 ARG CB . 30245 1 1350 . 2 1 29 29 ARG CG C 13 28.595 0.1 . 1 . . . . B 29 ARG CG . 30245 1 1351 . 2 1 29 29 ARG CD C 13 43.809 0.1 . 1 . . . . B 29 ARG CD . 30245 1 1352 . 2 1 29 29 ARG N N 15 117.151 0.1 . 1 . . . . B 29 ARG N . 30245 1 1353 . 2 1 30 30 ALA H H 1 8.179 0.02 . 1 . . . . B 30 ALA H . 30245 1 1354 . 2 1 30 30 ALA HA H 1 4.240 0.02 . 1 . . . . B 30 ALA HA . 30245 1 1355 . 2 1 30 30 ALA HB1 H 1 1.496 0.02 . 1 . . . . B 30 ALA HB1 . 30245 1 1356 . 2 1 30 30 ALA HB2 H 1 1.496 0.02 . 1 . . . . B 30 ALA HB2 . 30245 1 1357 . 2 1 30 30 ALA HB3 H 1 1.496 0.02 . 1 . . . . B 30 ALA HB3 . 30245 1 1358 . 2 1 30 30 ALA C C 13 179.604 0.1 . 1 . . . . B 30 ALA C . 30245 1 1359 . 2 1 30 30 ALA CA C 13 56.006 0.1 . 1 . . . . B 30 ALA CA . 30245 1 1360 . 2 1 30 30 ALA CB C 13 19.278 0.1 . 1 . . . . B 30 ALA CB . 30245 1 1361 . 2 1 30 30 ALA N N 15 122.727 0.1 . 1 . . . . B 30 ALA N . 30245 1 1362 . 2 1 31 31 LEU H H 1 7.948 0.02 . 1 . . . . B 31 LEU H . 30245 1 1363 . 2 1 31 31 LEU HA H 1 3.903 0.02 . 1 . . . . B 31 LEU HA . 30245 1 1364 . 2 1 31 31 LEU HB2 H 1 2.114 0.02 . 2 . . . . B 31 LEU HB2 . 30245 1 1365 . 2 1 31 31 LEU HB3 H 1 1.034 0.02 . 2 . . . . B 31 LEU HB3 . 30245 1 1366 . 2 1 31 31 LEU HG H 1 1.661 0.02 . 1 . . . . B 31 LEU HG . 30245 1 1367 . 2 1 31 31 LEU HD11 H 1 0.956 0.02 . 2 . . . . B 31 LEU HD11 . 30245 1 1368 . 2 1 31 31 LEU HD12 H 1 0.956 0.02 . 2 . . . . B 31 LEU HD12 . 30245 1 1369 . 2 1 31 31 LEU HD13 H 1 0.956 0.02 . 2 . . . . B 31 LEU HD13 . 30245 1 1370 . 2 1 31 31 LEU HD21 H 1 0.700 0.02 . 2 . . . . B 31 LEU HD21 . 30245 1 1371 . 2 1 31 31 LEU HD22 H 1 0.700 0.02 . 2 . . . . B 31 LEU HD22 . 30245 1 1372 . 2 1 31 31 LEU HD23 H 1 0.700 0.02 . 2 . . . . B 31 LEU HD23 . 30245 1 1373 . 2 1 31 31 LEU C C 13 179.025 0.1 . 1 . . . . B 31 LEU C . 30245 1 1374 . 2 1 31 31 LEU CA C 13 58.740 0.1 . 1 . . . . B 31 LEU CA . 30245 1 1375 . 2 1 31 31 LEU CB C 13 42.940 0.1 . 1 . . . . B 31 LEU CB . 30245 1 1376 . 2 1 31 31 LEU CG C 13 28.919 0.1 . 1 . . . . B 31 LEU CG . 30245 1 1377 . 2 1 31 31 LEU CD1 C 13 26.977 0.1 . 1 . . . . B 31 LEU CD1 . 30245 1 1378 . 2 1 31 31 LEU CD2 C 13 26.329 0.1 . 1 . . . . B 31 LEU CD2 . 30245 1 1379 . 2 1 31 31 LEU N N 15 116.115 0.1 . 1 . . . . B 31 LEU N . 30245 1 1380 . 2 1 32 32 GLU H H 1 8.548 0.02 . 1 . . . . B 32 GLU H . 30245 1 1381 . 2 1 32 32 GLU HA H 1 4.044 0.02 . 1 . . . . B 32 GLU HA . 30245 1 1382 . 2 1 32 32 GLU HB2 H 1 2.228 0.02 . 2 . . . . B 32 GLU HB2 . 30245 1 1383 . 2 1 32 32 GLU HB3 H 1 1.897 0.02 . 2 . . . . B 32 GLU HB3 . 30245 1 1384 . 2 1 32 32 GLU HG2 H 1 2.284 0.02 . 2 . . . . B 32 GLU HG2 . 30245 1 1385 . 2 1 32 32 GLU HG3 H 1 2.253 0.02 . 2 . . . . B 32 GLU HG3 . 30245 1 1386 . 2 1 32 32 GLU C C 13 180.986 0.1 . 1 . . . . B 32 GLU C . 30245 1 1387 . 2 1 32 32 GLU CA C 13 60.043 0.1 . 1 . . . . B 32 GLU CA . 30245 1 1388 . 2 1 32 32 GLU CB C 13 30.684 0.1 . 1 . . . . B 32 GLU CB . 30245 1 1389 . 2 1 32 32 GLU CG C 13 37.012 0.1 . 1 . . . . B 32 GLU CG . 30245 1 1390 . 2 1 32 32 GLU N N 15 120.908 0.1 . 1 . . . . B 32 GLU N . 30245 1 1391 . 2 1 33 33 GLU H H 1 8.327 0.02 . 1 . . . . B 33 GLU H . 30245 1 1392 . 2 1 33 33 GLU HA H 1 4.128 0.02 . 1 . . . . B 33 GLU HA . 30245 1 1393 . 2 1 33 33 GLU HB2 H 1 2.392 0.02 . 2 . . . . B 33 GLU HB2 . 30245 1 1394 . 2 1 33 33 GLU HB3 H 1 2.221 0.02 . 2 . . . . B 33 GLU HB3 . 30245 1 1395 . 2 1 33 33 GLU HG2 H 1 2.553 0.02 . 2 . . . . B 33 GLU HG2 . 30245 1 1396 . 2 1 33 33 GLU HG3 H 1 2.405 0.02 . 2 . . . . B 33 GLU HG3 . 30245 1 1397 . 2 1 33 33 GLU C C 13 178.439 0.1 . 1 . . . . B 33 GLU C . 30245 1 1398 . 2 1 33 33 GLU CA C 13 59.729 0.1 . 1 . . . . B 33 GLU CA . 30245 1 1399 . 2 1 33 33 GLU CB C 13 30.355 0.1 . 1 . . . . B 33 GLU CB . 30245 1 1400 . 2 1 33 33 GLU CG C 13 37.012 0.1 . 1 . . . . B 33 GLU CG . 30245 1 1401 . 2 1 33 33 GLU N N 15 120.190 0.1 . 1 . . . . B 33 GLU N . 30245 1 1402 . 2 1 34 34 LYS H H 1 7.228 0.02 . 1 . . . . B 34 LYS H . 30245 1 1403 . 2 1 34 34 LYS HA H 1 4.291 0.02 . 1 . . . . B 34 LYS HA . 30245 1 1404 . 2 1 34 34 LYS HB2 H 1 2.089 0.02 . 2 . . . . B 34 LYS HB2 . 30245 1 1405 . 2 1 34 34 LYS HB3 H 1 1.852 0.02 . 2 . . . . B 34 LYS HB3 . 30245 1 1406 . 2 1 34 34 LYS HG2 H 1 1.229 0.02 . 1 . . . . B 34 LYS HG2 . 30245 1 1407 . 2 1 34 34 LYS HD2 H 1 1.358 0.02 . 2 . . . . B 34 LYS HD2 . 30245 1 1408 . 2 1 34 34 LYS HD3 H 1 1.186 0.02 . 2 . . . . B 34 LYS HD3 . 30245 1 1409 . 2 1 34 34 LYS HE2 H 1 2.541 0.02 . 2 . . . . B 34 LYS HE2 . 30245 1 1410 . 2 1 34 34 LYS HE3 H 1 2.309 0.02 . 2 . . . . B 34 LYS HE3 . 30245 1 1411 . 2 1 34 34 LYS C C 13 176.579 0.1 . 1 . . . . B 34 LYS C . 30245 1 1412 . 2 1 34 34 LYS CA C 13 54.400 0.1 . 1 . . . . B 34 LYS CA . 30245 1 1413 . 2 1 34 34 LYS CB C 13 32.806 0.1 . 1 . . . . B 34 LYS CB . 30245 1 1414 . 2 1 34 34 LYS CG C 13 25.035 0.1 . 1 . . . . B 34 LYS CG . 30245 1 1415 . 2 1 34 34 LYS CD C 13 27.624 0.1 . 1 . . . . B 34 LYS CD . 30245 1 1416 . 2 1 34 34 LYS CE C 13 42.191 0.1 . 1 . . . . B 34 LYS CE . 30245 1 1417 . 2 1 34 34 LYS N N 15 115.391 0.1 . 1 . . . . B 34 LYS N . 30245 1 1418 . 2 1 35 35 GLY H H 1 7.712 0.02 . 1 . . . . B 35 GLY H . 30245 1 1419 . 2 1 35 35 GLY HA2 H 1 4.019 0.02 . 2 . . . . B 35 GLY HA2 . 30245 1 1420 . 2 1 35 35 GLY HA3 H 1 3.785 0.02 . 2 . . . . B 35 GLY HA3 . 30245 1 1421 . 2 1 35 35 GLY C C 13 175.188 0.1 . 1 . . . . B 35 GLY C . 30245 1 1422 . 2 1 35 35 GLY CA C 13 46.370 0.1 . 1 . . . . B 35 GLY CA . 30245 1 1423 . 2 1 35 35 GLY N N 15 106.626 0.1 . 1 . . . . B 35 GLY N . 30245 1 1424 . 2 1 36 36 TYR H H 1 7.631 0.02 . 1 . . . . B 36 TYR H . 30245 1 1425 . 2 1 36 36 TYR HA H 1 4.458 0.02 . 1 . . . . B 36 TYR HA . 30245 1 1426 . 2 1 36 36 TYR HB2 H 1 2.793 0.02 . 2 . . . . B 36 TYR HB2 . 30245 1 1427 . 2 1 36 36 TYR HB3 H 1 2.468 0.02 . 2 . . . . B 36 TYR HB3 . 30245 1 1428 . 2 1 36 36 TYR HD1 H 1 7.145 0.02 . 1 . . . . B 36 TYR HD1 . 30245 1 1429 . 2 1 36 36 TYR HD2 H 1 7.145 0.02 . 1 . . . . B 36 TYR HD2 . 30245 1 1430 . 2 1 36 36 TYR HE1 H 1 6.736 0.02 . 1 . . . . B 36 TYR HE1 . 30245 1 1431 . 2 1 36 36 TYR HE2 H 1 6.736 0.02 . 1 . . . . B 36 TYR HE2 . 30245 1 1432 . 2 1 36 36 TYR C C 13 175.489 0.1 . 1 . . . . B 36 TYR C . 30245 1 1433 . 2 1 36 36 TYR CA C 13 58.097 0.1 . 1 . . . . B 36 TYR CA . 30245 1 1434 . 2 1 36 36 TYR CB C 13 40.572 0.1 . 1 . . . . B 36 TYR CB . 30245 1 1435 . 2 1 36 36 TYR CD1 C 13 133.603 0.1 . 1 . . . . B 36 TYR CD1 . 30245 1 1436 . 2 1 36 36 TYR CE1 C 13 118.843 0.1 . 1 . . . . B 36 TYR CE1 . 30245 1 1437 . 2 1 36 36 TYR N N 15 117.982 0.1 . 1 . . . . B 36 TYR N . 30245 1 1438 . 2 1 37 37 ASN H H 1 8.948 0.02 . 1 . . . . B 37 ASN H . 30245 1 1439 . 2 1 37 37 ASN HA H 1 5.092 0.02 . 1 . . . . B 37 ASN HA . 30245 1 1440 . 2 1 37 37 ASN HB2 H 1 3.202 0.02 . 2 . . . . B 37 ASN HB2 . 30245 1 1441 . 2 1 37 37 ASN HB3 H 1 2.883 0.02 . 2 . . . . B 37 ASN HB3 . 30245 1 1442 . 2 1 37 37 ASN HD21 H 1 7.702 0.02 . 2 . . . . B 37 ASN HD21 . 30245 1 1443 . 2 1 37 37 ASN HD22 H 1 6.985 0.02 . 2 . . . . B 37 ASN HD22 . 30245 1 1444 . 2 1 37 37 ASN C C 13 175.347 0.1 . 1 . . . . B 37 ASN C . 30245 1 1445 . 2 1 37 37 ASN CA C 13 50.931 0.1 . 1 . . . . B 37 ASN CA . 30245 1 1446 . 2 1 37 37 ASN CB C 13 38.630 0.1 . 1 . . . . B 37 ASN CB . 30245 1 1447 . 2 1 37 37 ASN N N 15 120.671 0.1 . 1 . . . . B 37 ASN N . 30245 1 1448 . 2 1 37 37 ASN ND2 N 15 114.164 0.1 . 1 . . . . B 37 ASN ND2 . 30245 1 1449 . 2 1 38 38 PRO HA H 1 3.907 0.02 . 1 . . . . B 38 PRO HA . 30245 1 1450 . 2 1 38 38 PRO HB2 H 1 1.947 0.02 . 2 . . . . B 38 PRO HB2 . 30245 1 1451 . 2 1 38 38 PRO HB3 H 1 1.528 0.02 . 2 . . . . B 38 PRO HB3 . 30245 1 1452 . 2 1 38 38 PRO HG2 H 1 1.266 0.02 . 2 . . . . B 38 PRO HG2 . 30245 1 1453 . 2 1 38 38 PRO HG3 H 1 1.217 0.02 . 2 . . . . B 38 PRO HG3 . 30245 1 1454 . 2 1 38 38 PRO HD2 H 1 4.430 0.02 . 2 . . . . B 38 PRO HD2 . 30245 1 1455 . 2 1 38 38 PRO HD3 H 1 3.682 0.02 . 2 . . . . B 38 PRO HD3 . 30245 1 1456 . 2 1 38 38 PRO C C 13 179.369 0.1 . 1 . . . . B 38 PRO C . 30245 1 1457 . 2 1 38 38 PRO CA C 13 65.497 0.1 . 1 . . . . B 38 PRO CA . 30245 1 1458 . 2 1 38 38 PRO CB C 13 34.422 0.1 . 1 . . . . B 38 PRO CB . 30245 1 1459 . 2 1 38 38 PRO CG C 13 28.595 0.1 . 1 . . . . B 38 PRO CG . 30245 1 1460 . 2 1 38 38 PRO CD C 13 51.902 0.1 . 1 . . . . B 38 PRO CD . 30245 1 1461 . 2 1 39 39 ILE H H 1 7.601 0.02 . 1 . . . . B 39 ILE H . 30245 1 1462 . 2 1 39 39 ILE HA H 1 3.663 0.02 . 1 . . . . B 39 ILE HA . 30245 1 1463 . 2 1 39 39 ILE HB H 1 2.319 0.02 . 1 . . . . B 39 ILE HB . 30245 1 1464 . 2 1 39 39 ILE HG12 H 1 1.748 0.02 . 2 . . . . B 39 ILE HG12 . 30245 1 1465 . 2 1 39 39 ILE HG13 H 1 1.667 0.02 . 2 . . . . B 39 ILE HG13 . 30245 1 1466 . 2 1 39 39 ILE HG21 H 1 1.009 0.02 . 1 . . . . B 39 ILE HG21 . 30245 1 1467 . 2 1 39 39 ILE HG22 H 1 1.009 0.02 . 1 . . . . B 39 ILE HG22 . 30245 1 1468 . 2 1 39 39 ILE HG23 H 1 1.009 0.02 . 1 . . . . B 39 ILE HG23 . 30245 1 1469 . 2 1 39 39 ILE HD11 H 1 0.969 0.02 . 1 . . . . B 39 ILE HD11 . 30245 1 1470 . 2 1 39 39 ILE HD12 H 1 0.969 0.02 . 1 . . . . B 39 ILE HD12 . 30245 1 1471 . 2 1 39 39 ILE HD13 H 1 0.969 0.02 . 1 . . . . B 39 ILE HD13 . 30245 1 1472 . 2 1 39 39 ILE C C 13 177.572 0.1 . 1 . . . . B 39 ILE C . 30245 1 1473 . 2 1 39 39 ILE CA C 13 63.931 0.1 . 1 . . . . B 39 ILE CA . 30245 1 1474 . 2 1 39 39 ILE CB C 13 36.000 0.1 . 1 . . . . B 39 ILE CB . 30245 1 1475 . 2 1 39 39 ILE CG1 C 13 28.919 0.1 . 1 . . . . B 39 ILE CG1 . 30245 1 1476 . 2 1 39 39 ILE CG2 C 13 18.560 0.1 . 1 . . . . B 39 ILE CG2 . 30245 1 1477 . 2 1 39 39 ILE CD1 C 13 11.439 0.1 . 1 . . . . B 39 ILE CD1 . 30245 1 1478 . 2 1 39 39 ILE N N 15 113.904 0.1 . 1 . . . . B 39 ILE N . 30245 1 1479 . 2 1 40 40 ASN H H 1 7.494 0.02 . 1 . . . . B 40 ASN H . 30245 1 1480 . 2 1 40 40 ASN HA H 1 4.353 0.02 . 1 . . . . B 40 ASN HA . 30245 1 1481 . 2 1 40 40 ASN HB2 H 1 2.934 0.02 . 2 . . . . B 40 ASN HB2 . 30245 1 1482 . 2 1 40 40 ASN HB3 H 1 2.845 0.02 . 2 . . . . B 40 ASN HB3 . 30245 1 1483 . 2 1 40 40 ASN HD21 H 1 7.645 0.02 . 2 . . . . B 40 ASN HD21 . 30245 1 1484 . 2 1 40 40 ASN HD22 H 1 6.953 0.02 . 2 . . . . B 40 ASN HD22 . 30245 1 1485 . 2 1 40 40 ASN C C 13 179.017 0.1 . 1 . . . . B 40 ASN C . 30245 1 1486 . 2 1 40 40 ASN CA C 13 56.757 0.1 . 1 . . . . B 40 ASN CA . 30245 1 1487 . 2 1 40 40 ASN CB C 13 38.630 0.1 . 1 . . . . B 40 ASN CB . 30245 1 1488 . 2 1 40 40 ASN N N 15 117.383 0.1 . 1 . . . . B 40 ASN N . 30245 1 1489 . 2 1 40 40 ASN ND2 N 15 111.331 0.1 . 1 . . . . B 40 ASN ND2 . 30245 1 1490 . 2 1 41 41 GLN H H 1 7.551 0.02 . 1 . . . . B 41 GLN H . 30245 1 1491 . 2 1 41 41 GLN HA H 1 4.268 0.02 . 1 . . . . B 41 GLN HA . 30245 1 1492 . 2 1 41 41 GLN HB2 H 1 2.566 0.02 . 2 . . . . B 41 GLN HB2 . 30245 1 1493 . 2 1 41 41 GLN HB3 H 1 2.039 0.02 . 2 . . . . B 41 GLN HB3 . 30245 1 1494 . 2 1 41 41 GLN HG2 H 1 2.758 0.02 . 2 . . . . B 41 GLN HG2 . 30245 1 1495 . 2 1 41 41 GLN HG3 H 1 2.315 0.02 . 2 . . . . B 41 GLN HG3 . 30245 1 1496 . 2 1 41 41 GLN HE21 H 1 8.435 0.02 . 2 . . . . B 41 GLN HE21 . 30245 1 1497 . 2 1 41 41 GLN HE22 H 1 7.436 0.02 . 2 . . . . B 41 GLN HE22 . 30245 1 1498 . 2 1 41 41 GLN C C 13 177.626 0.1 . 1 . . . . B 41 GLN C . 30245 1 1499 . 2 1 41 41 GLN CA C 13 58.664 0.1 . 1 . . . . B 41 GLN CA . 30245 1 1500 . 2 1 41 41 GLN CB C 13 29.082 0.1 . 1 . . . . B 41 GLN CB . 30245 1 1501 . 2 1 41 41 GLN CG C 13 35.393 0.1 . 1 . . . . B 41 GLN CG . 30245 1 1502 . 2 1 41 41 GLN N N 15 116.237 0.1 . 1 . . . . B 41 GLN N . 30245 1 1503 . 2 1 41 41 GLN NE2 N 15 112.355 0.1 . 1 . . . . B 41 GLN NE2 . 30245 1 1504 . 2 1 42 42 ILE H H 1 8.146 0.02 . 1 . . . . B 42 ILE H . 30245 1 1505 . 2 1 42 42 ILE HA H 1 3.454 0.02 . 1 . . . . B 42 ILE HA . 30245 1 1506 . 2 1 42 42 ILE HB H 1 1.836 0.02 . 1 . . . . B 42 ILE HB . 30245 1 1507 . 2 1 42 42 ILE HG12 H 1 1.895 0.02 . 2 . . . . B 42 ILE HG12 . 30245 1 1508 . 2 1 42 42 ILE HG13 H 1 0.589 0.02 . 2 . . . . B 42 ILE HG13 . 30245 1 1509 . 2 1 42 42 ILE HG21 H 1 0.836 0.02 . 1 . . . . B 42 ILE HG21 . 30245 1 1510 . 2 1 42 42 ILE HG22 H 1 0.836 0.02 . 1 . . . . B 42 ILE HG22 . 30245 1 1511 . 2 1 42 42 ILE HG23 H 1 0.836 0.02 . 1 . . . . B 42 ILE HG23 . 30245 1 1512 . 2 1 42 42 ILE HD11 H 1 0.833 0.02 . 1 . . . . B 42 ILE HD11 . 30245 1 1513 . 2 1 42 42 ILE HD12 H 1 0.833 0.02 . 1 . . . . B 42 ILE HD12 . 30245 1 1514 . 2 1 42 42 ILE HD13 H 1 0.833 0.02 . 1 . . . . B 42 ILE HD13 . 30245 1 1515 . 2 1 42 42 ILE C C 13 177.807 0.1 . 1 . . . . B 42 ILE C . 30245 1 1516 . 2 1 42 42 ILE CA C 13 67.217 0.1 . 1 . . . . B 42 ILE CA . 30245 1 1517 . 2 1 42 42 ILE CB C 13 38.792 0.1 . 1 . . . . B 42 ILE CB . 30245 1 1518 . 2 1 42 42 ILE CG1 C 13 30.637 0.1 . 1 . . . . B 42 ILE CG1 . 30245 1 1519 . 2 1 42 42 ILE CG2 C 13 17.266 0.1 . 1 . . . . B 42 ILE CG2 . 30245 1 1520 . 2 1 42 42 ILE CD1 C 13 13.469 0.1 . 1 . . . . B 42 ILE CD1 . 30245 1 1521 . 2 1 42 42 ILE N N 15 119.408 0.1 . 1 . . . . B 42 ILE N . 30245 1 1522 . 2 1 43 43 VAL H H 1 8.636 0.02 . 1 . . . . B 43 VAL H . 30245 1 1523 . 2 1 43 43 VAL HA H 1 3.296 0.02 . 1 . . . . B 43 VAL HA . 30245 1 1524 . 2 1 43 43 VAL HB H 1 2.176 0.02 . 1 . . . . B 43 VAL HB . 30245 1 1525 . 2 1 43 43 VAL HG11 H 1 0.908 0.02 . 2 . . . . B 43 VAL HG11 . 30245 1 1526 . 2 1 43 43 VAL HG12 H 1 0.908 0.02 . 2 . . . . B 43 VAL HG12 . 30245 1 1527 . 2 1 43 43 VAL HG13 H 1 0.908 0.02 . 2 . . . . B 43 VAL HG13 . 30245 1 1528 . 2 1 43 43 VAL HG21 H 1 0.900 0.02 . 2 . . . . B 43 VAL HG21 . 30245 1 1529 . 2 1 43 43 VAL HG22 H 1 0.900 0.02 . 2 . . . . B 43 VAL HG22 . 30245 1 1530 . 2 1 43 43 VAL HG23 H 1 0.900 0.02 . 2 . . . . B 43 VAL HG23 . 30245 1 1531 . 2 1 43 43 VAL C C 13 177.301 0.1 . 1 . . . . B 43 VAL C . 30245 1 1532 . 2 1 43 43 VAL CA C 13 68.211 0.1 . 1 . . . . B 43 VAL CA . 30245 1 1533 . 2 1 43 43 VAL CB C 13 31.800 0.1 . 1 . . . . B 43 VAL CB . 30245 1 1534 . 2 1 43 43 VAL CG1 C 13 24.711 0.1 . 1 . . . . B 43 VAL CG1 . 30245 1 1535 . 2 1 43 43 VAL CG2 C 13 22.121 0.1 . 1 . . . . B 43 VAL CG2 . 30245 1 1536 . 2 1 43 43 VAL N N 15 119.749 0.1 . 1 . . . . B 43 VAL N . 30245 1 1537 . 2 1 44 44 GLY H H 1 7.765 0.02 . 1 . . . . B 44 GLY H . 30245 1 1538 . 2 1 44 44 GLY HA2 H 1 3.331 0.02 . 2 . . . . B 44 GLY HA2 . 30245 1 1539 . 2 1 44 44 GLY HA3 H 1 2.837 0.02 . 2 . . . . B 44 GLY HA3 . 30245 1 1540 . 2 1 44 44 GLY C C 13 177.705 0.1 . 1 . . . . B 44 GLY C . 30245 1 1541 . 2 1 44 44 GLY CA C 13 46.924 0.1 . 1 . . . . B 44 GLY CA . 30245 1 1542 . 2 1 44 44 GLY N N 15 105.716 0.1 . 1 . . . . B 44 GLY N . 30245 1 1543 . 2 1 45 45 TYR H H 1 7.931 0.02 . 1 . . . . B 45 TYR H . 30245 1 1544 . 2 1 45 45 TYR HA H 1 3.906 0.02 . 1 . . . . B 45 TYR HA . 30245 1 1545 . 2 1 45 45 TYR HB2 H 1 3.033 0.02 . 1 . . . . B 45 TYR HB2 . 30245 1 1546 . 2 1 45 45 TYR HD1 H 1 6.898 0.02 . 1 . . . . B 45 TYR HD1 . 30245 1 1547 . 2 1 45 45 TYR HD2 H 1 6.898 0.02 . 1 . . . . B 45 TYR HD2 . 30245 1 1548 . 2 1 45 45 TYR HE1 H 1 6.445 0.02 . 1 . . . . B 45 TYR HE1 . 30245 1 1549 . 2 1 45 45 TYR HE2 H 1 6.445 0.02 . 1 . . . . B 45 TYR HE2 . 30245 1 1550 . 2 1 45 45 TYR C C 13 177.259 0.1 . 1 . . . . B 45 TYR C . 30245 1 1551 . 2 1 45 45 TYR CA C 13 62.155 0.1 . 1 . . . . B 45 TYR CA . 30245 1 1552 . 2 1 45 45 TYR CB C 13 39.262 0.1 . 1 . . . . B 45 TYR CB . 30245 1 1553 . 2 1 45 45 TYR CD1 C 13 133.344 0.1 . 1 . . . . B 45 TYR CD1 . 30245 1 1554 . 2 1 45 45 TYR CE1 C 13 117.289 0.1 . 1 . . . . B 45 TYR CE1 . 30245 1 1555 . 2 1 45 45 TYR N N 15 123.504 0.1 . 1 . . . . B 45 TYR N . 30245 1 1556 . 2 1 46 46 LEU H H 1 8.582 0.02 . 1 . . . . B 46 LEU H . 30245 1 1557 . 2 1 46 46 LEU HA H 1 3.383 0.02 . 1 . . . . B 46 LEU HA . 30245 1 1558 . 2 1 46 46 LEU HB2 H 1 1.896 0.02 . 2 . . . . B 46 LEU HB2 . 30245 1 1559 . 2 1 46 46 LEU HB3 H 1 1.250 0.02 . 2 . . . . B 46 LEU HB3 . 30245 1 1560 . 2 1 46 46 LEU HG H 1 2.000 0.02 . 1 . . . . B 46 LEU HG . 30245 1 1561 . 2 1 46 46 LEU HD11 H 1 0.707 0.02 . 2 . . . . B 46 LEU HD11 . 30245 1 1562 . 2 1 46 46 LEU HD12 H 1 0.707 0.02 . 2 . . . . B 46 LEU HD12 . 30245 1 1563 . 2 1 46 46 LEU HD13 H 1 0.707 0.02 . 2 . . . . B 46 LEU HD13 . 30245 1 1564 . 2 1 46 46 LEU HD21 H 1 0.815 0.02 . 2 . . . . B 46 LEU HD21 . 30245 1 1565 . 2 1 46 46 LEU HD22 H 1 0.815 0.02 . 2 . . . . B 46 LEU HD22 . 30245 1 1566 . 2 1 46 46 LEU HD23 H 1 0.815 0.02 . 2 . . . . B 46 LEU HD23 . 30245 1 1567 . 2 1 46 46 LEU C C 13 178.891 0.1 . 1 . . . . B 46 LEU C . 30245 1 1568 . 2 1 46 46 LEU CA C 13 58.993 0.1 . 1 . . . . B 46 LEU CA . 30245 1 1569 . 2 1 46 46 LEU CB C 13 41.867 0.1 . 1 . . . . B 46 LEU CB . 30245 1 1570 . 2 1 46 46 LEU CG C 13 27.300 0.1 . 1 . . . . B 46 LEU CG . 30245 1 1571 . 2 1 46 46 LEU CD1 C 13 26.653 0.1 . 1 . . . . B 46 LEU CD1 . 30245 1 1572 . 2 1 46 46 LEU CD2 C 13 22.769 0.1 . 1 . . . . B 46 LEU CD2 . 30245 1 1573 . 2 1 46 46 LEU N N 15 120.870 0.1 . 1 . . . . B 46 LEU N . 30245 1 1574 . 2 1 47 47 LEU H H 1 8.194 0.02 . 1 . . . . B 47 LEU H . 30245 1 1575 . 2 1 47 47 LEU HA H 1 3.916 0.02 . 1 . . . . B 47 LEU HA . 30245 1 1576 . 2 1 47 47 LEU HB2 H 1 1.718 0.02 . 2 . . . . B 47 LEU HB2 . 30245 1 1577 . 2 1 47 47 LEU HB3 H 1 1.345 0.02 . 2 . . . . B 47 LEU HB3 . 30245 1 1578 . 2 1 47 47 LEU HG H 1 1.617 0.02 . 1 . . . . B 47 LEU HG . 30245 1 1579 . 2 1 47 47 LEU HD11 H 1 0.666 0.02 . 2 . . . . B 47 LEU HD11 . 30245 1 1580 . 2 1 47 47 LEU HD12 H 1 0.666 0.02 . 2 . . . . B 47 LEU HD12 . 30245 1 1581 . 2 1 47 47 LEU HD13 H 1 0.666 0.02 . 2 . . . . B 47 LEU HD13 . 30245 1 1582 . 2 1 47 47 LEU HD21 H 1 0.662 0.02 . 2 . . . . B 47 LEU HD21 . 30245 1 1583 . 2 1 47 47 LEU HD22 H 1 0.662 0.02 . 2 . . . . B 47 LEU HD22 . 30245 1 1584 . 2 1 47 47 LEU HD23 H 1 0.662 0.02 . 2 . . . . B 47 LEU HD23 . 30245 1 1585 . 2 1 47 47 LEU C C 13 178.042 0.1 . 1 . . . . B 47 LEU C . 30245 1 1586 . 2 1 47 47 LEU CA C 13 57.385 0.1 . 1 . . . . B 47 LEU CA . 30245 1 1587 . 2 1 47 47 LEU CB C 13 43.129 0.1 . 1 . . . . B 47 LEU CB . 30245 1 1588 . 2 1 47 47 LEU CG C 13 26.977 0.1 . 1 . . . . B 47 LEU CG . 30245 1 1589 . 2 1 47 47 LEU CD1 C 13 26.329 0.1 . 1 . . . . B 47 LEU CD1 . 30245 1 1590 . 2 1 47 47 LEU CD2 C 13 23.740 0.1 . 1 . . . . B 47 LEU CD2 . 30245 1 1591 . 2 1 47 47 LEU N N 15 115.227 0.1 . 1 . . . . B 47 LEU N . 30245 1 1592 . 2 1 48 48 SER H H 1 7.453 0.02 . 1 . . . . B 48 SER H . 30245 1 1593 . 2 1 48 48 SER HA H 1 4.547 0.02 . 1 . . . . B 48 SER HA . 30245 1 1594 . 2 1 48 48 SER HB2 H 1 3.984 0.02 . 1 . . . . B 48 SER HB2 . 30245 1 1595 . 2 1 48 48 SER C C 13 176.570 0.1 . 1 . . . . B 48 SER C . 30245 1 1596 . 2 1 48 48 SER CA C 13 60.043 0.1 . 1 . . . . B 48 SER CA . 30245 1 1597 . 2 1 48 48 SER CB C 13 66.839 0.1 . 1 . . . . B 48 SER CB . 30245 1 1598 . 2 1 48 48 SER N N 15 111.236 0.1 . 1 . . . . B 48 SER N . 30245 1 1599 . 2 1 49 49 GLY H H 1 8.869 0.02 . 1 . . . . B 49 GLY H . 30245 1 1600 . 2 1 49 49 GLY HA2 H 1 3.970 0.02 . 2 . . . . B 49 GLY HA2 . 30245 1 1601 . 2 1 49 49 GLY HA3 H 1 2.944 0.02 . 2 . . . . B 49 GLY HA3 . 30245 1 1602 . 2 1 49 49 GLY C C 13 173.089 0.1 . 1 . . . . B 49 GLY C . 30245 1 1603 . 2 1 49 49 GLY CA C 13 46.018 0.1 . 1 . . . . B 49 GLY CA . 30245 1 1604 . 2 1 49 49 GLY N N 15 114.119 0.1 . 1 . . . . B 49 GLY N . 30245 1 1605 . 2 1 50 50 ASP H H 1 8.323 0.02 . 1 . . . . B 50 ASP H . 30245 1 1606 . 2 1 50 50 ASP HA H 1 5.059 0.02 . 1 . . . . B 50 ASP HA . 30245 1 1607 . 2 1 50 50 ASP HB2 H 1 3.363 0.02 . 2 . . . . B 50 ASP HB2 . 30245 1 1608 . 2 1 50 50 ASP HB3 H 1 2.589 0.02 . 2 . . . . B 50 ASP HB3 . 30245 1 1609 . 2 1 50 50 ASP C C 13 176.996 0.1 . 1 . . . . B 50 ASP C . 30245 1 1610 . 2 1 50 50 ASP CA C 13 51.578 0.1 . 1 . . . . B 50 ASP CA . 30245 1 1611 . 2 1 50 50 ASP CB C 13 42.191 0.1 . 1 . . . . B 50 ASP CB . 30245 1 1612 . 2 1 50 50 ASP N N 15 121.699 0.1 . 1 . . . . B 50 ASP N . 30245 1 1613 . 2 1 51 51 PRO HA H 1 4.336 0.02 . 1 . . . . B 51 PRO HA . 30245 1 1614 . 2 1 51 51 PRO HB2 H 1 2.116 0.02 . 2 . . . . B 51 PRO HB2 . 30245 1 1615 . 2 1 51 51 PRO HB3 H 1 1.911 0.02 . 2 . . . . B 51 PRO HB3 . 30245 1 1616 . 2 1 51 51 PRO HG2 H 1 2.110 0.02 . 2 . . . . B 51 PRO HG2 . 30245 1 1617 . 2 1 51 51 PRO HG3 H 1 2.031 0.02 . 2 . . . . B 51 PRO HG3 . 30245 1 1618 . 2 1 51 51 PRO HD2 H 1 4.589 0.02 . 2 . . . . B 51 PRO HD2 . 30245 1 1619 . 2 1 51 51 PRO HD3 H 1 4.088 0.02 . 2 . . . . B 51 PRO HD3 . 30245 1 1620 . 2 1 51 51 PRO C C 13 176.696 0.1 . 1 . . . . B 51 PRO C . 30245 1 1621 . 2 1 51 51 PRO CA C 13 64.560 0.1 . 1 . . . . B 51 PRO CA . 30245 1 1622 . 2 1 51 51 PRO CB C 13 32.853 0.1 . 1 . . . . B 51 PRO CB . 30245 1 1623 . 2 1 51 51 PRO CG C 13 27.624 0.1 . 1 . . . . B 51 PRO CG . 30245 1 1624 . 2 1 51 51 PRO CD C 13 51.902 0.1 . 1 . . . . B 51 PRO CD . 30245 1 1625 . 2 1 52 52 ALA H H 1 8.455 0.02 . 1 . . . . B 52 ALA H . 30245 1 1626 . 2 1 52 52 ALA HA H 1 3.963 0.02 . 1 . . . . B 52 ALA HA . 30245 1 1627 . 2 1 52 52 ALA HB1 H 1 1.253 0.02 . 1 . . . . B 52 ALA HB1 . 30245 1 1628 . 2 1 52 52 ALA HB2 H 1 1.253 0.02 . 1 . . . . B 52 ALA HB2 . 30245 1 1629 . 2 1 52 52 ALA HB3 H 1 1.253 0.02 . 1 . . . . B 52 ALA HB3 . 30245 1 1630 . 2 1 52 52 ALA C C 13 179.252 0.1 . 1 . . . . B 52 ALA C . 30245 1 1631 . 2 1 52 52 ALA CA C 13 54.591 0.1 . 1 . . . . B 52 ALA CA . 30245 1 1632 . 2 1 52 52 ALA CB C 13 18.712 0.1 . 1 . . . . B 52 ALA CB . 30245 1 1633 . 2 1 52 52 ALA N N 15 120.096 0.1 . 1 . . . . B 52 ALA N . 30245 1 1634 . 2 1 53 53 TYR H H 1 7.417 0.02 . 1 . . . . B 53 TYR H . 30245 1 1635 . 2 1 53 53 TYR HA H 1 3.970 0.02 . 1 . . . . B 53 TYR HA . 30245 1 1636 . 2 1 53 53 TYR HB2 H 1 3.497 0.02 . 2 . . . . B 53 TYR HB2 . 30245 1 1637 . 2 1 53 53 TYR HB3 H 1 2.713 0.02 . 2 . . . . B 53 TYR HB3 . 30245 1 1638 . 2 1 53 53 TYR HD1 H 1 7.475 0.02 . 1 . . . . B 53 TYR HD1 . 30245 1 1639 . 2 1 53 53 TYR HD2 H 1 7.475 0.02 . 1 . . . . B 53 TYR HD2 . 30245 1 1640 . 2 1 53 53 TYR HE1 H 1 6.903 0.02 . 1 . . . . B 53 TYR HE1 . 30245 1 1641 . 2 1 53 53 TYR HE2 H 1 6.903 0.02 . 1 . . . . B 53 TYR HE2 . 30245 1 1642 . 2 1 53 53 TYR C C 13 175.378 0.1 . 1 . . . . B 53 TYR C . 30245 1 1643 . 2 1 53 53 TYR CA C 13 62.011 0.1 . 1 . . . . B 53 TYR CA . 30245 1 1644 . 2 1 53 53 TYR CB C 13 40.928 0.1 . 1 . . . . B 53 TYR CB . 30245 1 1645 . 2 1 53 53 TYR CD1 C 13 133.344 0.1 . 1 . . . . B 53 TYR CD1 . 30245 1 1646 . 2 1 53 53 TYR CE1 C 13 119.102 0.1 . 1 . . . . B 53 TYR CE1 . 30245 1 1647 . 2 1 53 53 TYR N N 15 114.019 0.1 . 1 . . . . B 53 TYR N . 30245 1 1648 . 2 1 54 54 ILE H H 1 8.083 0.02 . 1 . . . . B 54 ILE H . 30245 1 1649 . 2 1 54 54 ILE HA H 1 4.543 0.02 . 1 . . . . B 54 ILE HA . 30245 1 1650 . 2 1 54 54 ILE HB H 1 1.903 0.02 . 1 . . . . B 54 ILE HB . 30245 1 1651 . 2 1 54 54 ILE HG12 H 1 1.280 0.02 . 2 . . . . B 54 ILE HG12 . 30245 1 1652 . 2 1 54 54 ILE HG13 H 1 0.832 0.02 . 2 . . . . B 54 ILE HG13 . 30245 1 1653 . 2 1 54 54 ILE HG21 H 1 0.779 0.02 . 1 . . . . B 54 ILE HG21 . 30245 1 1654 . 2 1 54 54 ILE HG22 H 1 0.779 0.02 . 1 . . . . B 54 ILE HG22 . 30245 1 1655 . 2 1 54 54 ILE HG23 H 1 0.779 0.02 . 1 . . . . B 54 ILE HG23 . 30245 1 1656 . 2 1 54 54 ILE HD11 H 1 0.435 0.02 . 1 . . . . B 54 ILE HD11 . 30245 1 1657 . 2 1 54 54 ILE HD12 H 1 0.435 0.02 . 1 . . . . B 54 ILE HD12 . 30245 1 1658 . 2 1 54 54 ILE HD13 H 1 0.435 0.02 . 1 . . . . B 54 ILE HD13 . 30245 1 1659 . 2 1 54 54 ILE C C 13 173.743 0.1 . 1 . . . . B 54 ILE C . 30245 1 1660 . 2 1 54 54 ILE CA C 13 54.815 0.1 . 1 . . . . B 54 ILE CA . 30245 1 1661 . 2 1 54 54 ILE CB C 13 38.306 0.1 . 1 . . . . B 54 ILE CB . 30245 1 1662 . 2 1 54 54 ILE CG1 C 13 26.329 0.1 . 1 . . . . B 54 ILE CG1 . 30245 1 1663 . 2 1 54 54 ILE CG2 C 13 16.618 0.1 . 1 . . . . B 54 ILE CG2 . 30245 1 1664 . 2 1 54 54 ILE CD1 C 13 9.173 0.1 . 1 . . . . B 54 ILE CD1 . 30245 1 1665 . 2 1 54 54 ILE N N 15 119.458 0.1 . 1 . . . . B 54 ILE N . 30245 1 1666 . 2 1 55 55 PRO HA H 1 4.510 0.02 . 1 . . . . B 55 PRO HA . 30245 1 1667 . 2 1 55 55 PRO HB2 H 1 1.929 0.02 . 1 . . . . B 55 PRO HB2 . 30245 1 1668 . 2 1 55 55 PRO HG2 H 1 1.667 0.02 . 2 . . . . B 55 PRO HG2 . 30245 1 1669 . 2 1 55 55 PRO HG3 H 1 1.620 0.02 . 2 . . . . B 55 PRO HG3 . 30245 1 1670 . 2 1 55 55 PRO HD2 H 1 3.501 0.02 . 2 . . . . B 55 PRO HD2 . 30245 1 1671 . 2 1 55 55 PRO HD3 H 1 3.306 0.02 . 2 . . . . B 55 PRO HD3 . 30245 1 1672 . 2 1 55 55 PRO C C 13 175.284 0.1 . 1 . . . . B 55 PRO C . 30245 1 1673 . 2 1 55 55 PRO CA C 13 63.314 0.1 . 1 . . . . B 55 PRO CA . 30245 1 1674 . 2 1 55 55 PRO CB C 13 33.203 0.1 . 1 . . . . B 55 PRO CB . 30245 1 1675 . 2 1 55 55 PRO CG C 13 26.977 0.1 . 1 . . . . B 55 PRO CG . 30245 1 1676 . 2 1 55 55 PRO CD C 13 51.254 0.1 . 1 . . . . B 55 PRO CD . 30245 1 1677 . 2 1 56 56 ARG H H 1 8.479 0.02 . 1 . . . . B 56 ARG H . 30245 1 1678 . 2 1 56 56 ARG HA H 1 4.218 0.02 . 1 . . . . B 56 ARG HA . 30245 1 1679 . 2 1 56 56 ARG HB2 H 1 1.949 0.02 . 2 . . . . B 56 ARG HB2 . 30245 1 1680 . 2 1 56 56 ARG HB3 H 1 1.750 0.02 . 2 . . . . B 56 ARG HB3 . 30245 1 1681 . 2 1 56 56 ARG HG2 H 1 1.657 0.02 . 2 . . . . B 56 ARG HG2 . 30245 1 1682 . 2 1 56 56 ARG HG3 H 1 1.572 0.02 . 2 . . . . B 56 ARG HG3 . 30245 1 1683 . 2 1 56 56 ARG HD2 H 1 3.251 0.02 . 1 . . . . B 56 ARG HD2 . 30245 1 1684 . 2 1 56 56 ARG C C 13 176.985 0.1 . 1 . . . . B 56 ARG C . 30245 1 1685 . 2 1 56 56 ARG CA C 13 57.565 0.1 . 1 . . . . B 56 ARG CA . 30245 1 1686 . 2 1 56 56 ARG CB C 13 30.537 0.1 . 1 . . . . B 56 ARG CB . 30245 1 1687 . 2 1 56 56 ARG CG C 13 28.919 0.1 . 1 . . . . B 56 ARG CG . 30245 1 1688 . 2 1 56 56 ARG CD C 13 44.133 0.1 . 1 . . . . B 56 ARG CD . 30245 1 1689 . 2 1 56 56 ARG N N 15 117.843 0.1 . 1 . . . . B 56 ARG N . 30245 1 1690 . 2 1 57 57 TYR H H 1 7.142 0.02 . 1 . . . . B 57 TYR H . 30245 1 1691 . 2 1 57 57 TYR HA H 1 4.423 0.02 . 1 . . . . B 57 TYR HA . 30245 1 1692 . 2 1 57 57 TYR HB2 H 1 3.276 0.02 . 2 . . . . B 57 TYR HB2 . 30245 1 1693 . 2 1 57 57 TYR HB3 H 1 2.562 0.02 . 2 . . . . B 57 TYR HB3 . 30245 1 1694 . 2 1 57 57 TYR HD1 H 1 7.139 0.02 . 1 . . . . B 57 TYR HD1 . 30245 1 1695 . 2 1 57 57 TYR HD2 H 1 7.139 0.02 . 1 . . . . B 57 TYR HD2 . 30245 1 1696 . 2 1 57 57 TYR HE1 H 1 6.965 0.02 . 1 . . . . B 57 TYR HE1 . 30245 1 1697 . 2 1 57 57 TYR HE2 H 1 6.965 0.02 . 1 . . . . B 57 TYR HE2 . 30245 1 1698 . 2 1 57 57 TYR C C 13 175.047 0.1 . 1 . . . . B 57 TYR C . 30245 1 1699 . 2 1 57 57 TYR CA C 13 58.944 0.1 . 1 . . . . B 57 TYR CA . 30245 1 1700 . 2 1 57 57 TYR CB C 13 40.206 0.1 . 1 . . . . B 57 TYR CB . 30245 1 1701 . 2 1 57 57 TYR CD1 C 13 133.862 0.1 . 1 . . . . B 57 TYR CD1 . 30245 1 1702 . 2 1 57 57 TYR CE1 C 13 119.361 0.1 . 1 . . . . B 57 TYR CE1 . 30245 1 1703 . 2 1 57 57 TYR N N 15 120.829 0.1 . 1 . . . . B 57 TYR N . 30245 1 1704 . 2 1 58 58 GLN H H 1 8.582 0.02 . 1 . . . . B 58 GLN H . 30245 1 1705 . 2 1 58 58 GLN HA H 1 3.546 0.02 . 1 . . . . B 58 GLN HA . 30245 1 1706 . 2 1 58 58 GLN HB2 H 1 2.086 0.02 . 2 . . . . B 58 GLN HB2 . 30245 1 1707 . 2 1 58 58 GLN HB3 H 1 1.639 0.02 . 2 . . . . B 58 GLN HB3 . 30245 1 1708 . 2 1 58 58 GLN HG2 H 1 1.530 0.02 . 1 . . . . B 58 GLN HG2 . 30245 1 1709 . 2 1 58 58 GLN HE21 H 1 6.720 0.02 . 2 . . . . B 58 GLN HE21 . 30245 1 1710 . 2 1 58 58 GLN HE22 H 1 6.575 0.02 . 2 . . . . B 58 GLN HE22 . 30245 1 1711 . 2 1 58 58 GLN C C 13 174.755 0.1 . 1 . . . . B 58 GLN C . 30245 1 1712 . 2 1 58 58 GLN CA C 13 57.681 0.1 . 1 . . . . B 58 GLN CA . 30245 1 1713 . 2 1 58 58 GLN CB C 13 26.329 0.1 . 1 . . . . B 58 GLN CB . 30245 1 1714 . 2 1 58 58 GLN CG C 13 34.098 0.1 . 1 . . . . B 58 GLN CG . 30245 1 1715 . 2 1 58 58 GLN N N 15 122.570 0.1 . 1 . . . . B 58 GLN N . 30245 1 1716 . 2 1 58 58 GLN NE2 N 15 110.392 0.1 . 1 . . . . B 58 GLN NE2 . 30245 1 1717 . 2 1 59 59 ASP H H 1 8.333 0.02 . 1 . . . . B 59 ASP H . 30245 1 1718 . 2 1 59 59 ASP HA H 1 4.497 0.02 . 1 . . . . B 59 ASP HA . 30245 1 1719 . 2 1 59 59 ASP HB2 H 1 3.053 0.02 . 2 . . . . B 59 ASP HB2 . 30245 1 1720 . 2 1 59 59 ASP HB3 H 1 2.539 0.02 . 2 . . . . B 59 ASP HB3 . 30245 1 1721 . 2 1 59 59 ASP C C 13 177.808 0.1 . 1 . . . . B 59 ASP C . 30245 1 1722 . 2 1 59 59 ASP CA C 13 55.585 0.1 . 1 . . . . B 59 ASP CA . 30245 1 1723 . 2 1 59 59 ASP CB C 13 41.809 0.1 . 1 . . . . B 59 ASP CB . 30245 1 1724 . 2 1 59 59 ASP N N 15 113.443 0.1 . 1 . . . . B 59 ASP N . 30245 1 1725 . 2 1 60 60 ALA H H 1 7.690 0.02 . 1 . . . . B 60 ALA H . 30245 1 1726 . 2 1 60 60 ALA HA H 1 3.719 0.02 . 1 . . . . B 60 ALA HA . 30245 1 1727 . 2 1 60 60 ALA HB1 H 1 1.412 0.02 . 1 . . . . B 60 ALA HB1 . 30245 1 1728 . 2 1 60 60 ALA HB2 H 1 1.412 0.02 . 1 . . . . B 60 ALA HB2 . 30245 1 1729 . 2 1 60 60 ALA HB3 H 1 1.412 0.02 . 1 . . . . B 60 ALA HB3 . 30245 1 1730 . 2 1 60 60 ALA C C 13 178.223 0.1 . 1 . . . . B 60 ALA C . 30245 1 1731 . 2 1 60 60 ALA CA C 13 57.163 0.1 . 1 . . . . B 60 ALA CA . 30245 1 1732 . 2 1 60 60 ALA CB C 13 18.005 0.1 . 1 . . . . B 60 ALA CB . 30245 1 1733 . 2 1 60 60 ALA N N 15 122.016 0.1 . 1 . . . . B 60 ALA N . 30245 1 1734 . 2 1 61 61 ARG H H 1 7.345 0.02 . 1 . . . . B 61 ARG H . 30245 1 1735 . 2 1 61 61 ARG HA H 1 3.470 0.02 . 1 . . . . B 61 ARG HA . 30245 1 1736 . 2 1 61 61 ARG HB2 H 1 1.755 0.02 . 1 . . . . B 61 ARG HB2 . 30245 1 1737 . 2 1 61 61 ARG HG2 H 1 0.833 0.02 . 1 . . . . B 61 ARG HG2 . 30245 1 1738 . 2 1 61 61 ARG C C 13 177.184 0.1 . 1 . . . . B 61 ARG C . 30245 1 1739 . 2 1 61 61 ARG CA C 13 59.995 0.1 . 1 . . . . B 61 ARG CA . 30245 1 1740 . 2 1 61 61 ARG CB C 13 30.537 0.1 . 1 . . . . B 61 ARG CB . 30245 1 1741 . 2 1 61 61 ARG N N 15 116.857 0.1 . 1 . . . . B 61 ARG N . 30245 1 1742 . 2 1 62 62 ASN H H 1 7.533 0.02 . 1 . . . . B 62 ASN H . 30245 1 1743 . 2 1 62 62 ASN HA H 1 4.372 0.02 . 1 . . . . B 62 ASN HA . 30245 1 1744 . 2 1 62 62 ASN HB2 H 1 2.748 0.02 . 2 . . . . B 62 ASN HB2 . 30245 1 1745 . 2 1 62 62 ASN HB3 H 1 2.629 0.02 . 2 . . . . B 62 ASN HB3 . 30245 1 1746 . 2 1 62 62 ASN HD21 H 1 8.012 0.02 . 2 . . . . B 62 ASN HD21 . 30245 1 1747 . 2 1 62 62 ASN HD22 H 1 6.837 0.02 . 2 . . . . B 62 ASN HD22 . 30245 1 1748 . 2 1 62 62 ASN C C 13 178.536 0.1 . 1 . . . . B 62 ASN C . 30245 1 1749 . 2 1 62 62 ASN CA C 13 55.924 0.1 . 1 . . . . B 62 ASN CA . 30245 1 1750 . 2 1 62 62 ASN CB C 13 38.415 0.1 . 1 . . . . B 62 ASN CB . 30245 1 1751 . 2 1 62 62 ASN N N 15 116.341 0.1 . 1 . . . . B 62 ASN N . 30245 1 1752 . 2 1 62 62 ASN ND2 N 15 114.405 0.1 . 1 . . . . B 62 ASN ND2 . 30245 1 1753 . 2 1 63 63 LEU H H 1 8.490 0.02 . 1 . . . . B 63 LEU H . 30245 1 1754 . 2 1 63 63 LEU HA H 1 3.946 0.02 . 1 . . . . B 63 LEU HA . 30245 1 1755 . 2 1 63 63 LEU HB2 H 1 1.811 0.02 . 2 . . . . B 63 LEU HB2 . 30245 1 1756 . 2 1 63 63 LEU HB3 H 1 1.449 0.02 . 2 . . . . B 63 LEU HB3 . 30245 1 1757 . 2 1 63 63 LEU HG H 1 1.826 0.02 . 1 . . . . B 63 LEU HG . 30245 1 1758 . 2 1 63 63 LEU HD11 H 1 0.916 0.02 . 2 . . . . B 63 LEU HD11 . 30245 1 1759 . 2 1 63 63 LEU HD12 H 1 0.916 0.02 . 2 . . . . B 63 LEU HD12 . 30245 1 1760 . 2 1 63 63 LEU HD13 H 1 0.916 0.02 . 2 . . . . B 63 LEU HD13 . 30245 1 1761 . 2 1 63 63 LEU HD21 H 1 0.907 0.02 . 2 . . . . B 63 LEU HD21 . 30245 1 1762 . 2 1 63 63 LEU HD22 H 1 0.907 0.02 . 2 . . . . B 63 LEU HD22 . 30245 1 1763 . 2 1 63 63 LEU HD23 H 1 0.907 0.02 . 2 . . . . B 63 LEU HD23 . 30245 1 1764 . 2 1 63 63 LEU C C 13 180.408 0.1 . 1 . . . . B 63 LEU C . 30245 1 1765 . 2 1 63 63 LEU CA C 13 58.619 0.1 . 1 . . . . B 63 LEU CA . 30245 1 1766 . 2 1 63 63 LEU CB C 13 42.658 0.1 . 1 . . . . B 63 LEU CB . 30245 1 1767 . 2 1 63 63 LEU CG C 13 27.300 0.1 . 1 . . . . B 63 LEU CG . 30245 1 1768 . 2 1 63 63 LEU CD1 C 13 25.682 0.1 . 1 . . . . B 63 LEU CD1 . 30245 1 1769 . 2 1 63 63 LEU CD2 C 13 24.063 0.1 . 1 . . . . B 63 LEU CD2 . 30245 1 1770 . 2 1 63 63 LEU N N 15 120.683 0.1 . 1 . . . . B 63 LEU N . 30245 1 1771 . 2 1 64 64 ILE H H 1 7.965 0.02 . 1 . . . . B 64 ILE H . 30245 1 1772 . 2 1 64 64 ILE HA H 1 3.994 0.02 . 1 . . . . B 64 ILE HA . 30245 1 1773 . 2 1 64 64 ILE HB H 1 1.607 0.02 . 1 . . . . B 64 ILE HB . 30245 1 1774 . 2 1 64 64 ILE HG12 H 1 1.346 0.02 . 2 . . . . B 64 ILE HG12 . 30245 1 1775 . 2 1 64 64 ILE HG13 H 1 1.230 0.02 . 2 . . . . B 64 ILE HG13 . 30245 1 1776 . 2 1 64 64 ILE HG21 H 1 0.612 0.02 . 1 . . . . B 64 ILE HG21 . 30245 1 1777 . 2 1 64 64 ILE HG22 H 1 0.612 0.02 . 1 . . . . B 64 ILE HG22 . 30245 1 1778 . 2 1 64 64 ILE HG23 H 1 0.612 0.02 . 1 . . . . B 64 ILE HG23 . 30245 1 1779 . 2 1 64 64 ILE HD11 H 1 0.655 0.02 . 1 . . . . B 64 ILE HD11 . 30245 1 1780 . 2 1 64 64 ILE HD12 H 1 0.655 0.02 . 1 . . . . B 64 ILE HD12 . 30245 1 1781 . 2 1 64 64 ILE HD13 H 1 0.655 0.02 . 1 . . . . B 64 ILE HD13 . 30245 1 1782 . 2 1 64 64 ILE C C 13 176.642 0.1 . 1 . . . . B 64 ILE C . 30245 1 1783 . 2 1 64 64 ILE CA C 13 63.879 0.1 . 1 . . . . B 64 ILE CA . 30245 1 1784 . 2 1 64 64 ILE CB C 13 38.600 0.1 . 1 . . . . B 64 ILE CB . 30245 1 1785 . 2 1 64 64 ILE CG1 C 13 31.185 0.1 . 1 . . . . B 64 ILE CG1 . 30245 1 1786 . 2 1 64 64 ILE CG2 C 13 16.942 0.1 . 1 . . . . B 64 ILE CG2 . 30245 1 1787 . 2 1 64 64 ILE CD1 C 13 14.352 0.1 . 1 . . . . B 64 ILE CD1 . 30245 1 1788 . 2 1 64 64 ILE N N 15 117.268 0.1 . 1 . . . . B 64 ILE N . 30245 1 1789 . 2 1 65 65 ARG H H 1 7.104 0.02 . 1 . . . . B 65 ARG H . 30245 1 1790 . 2 1 65 65 ARG HA H 1 4.383 0.02 . 1 . . . . B 65 ARG HA . 30245 1 1791 . 2 1 65 65 ARG HB2 H 1 2.113 0.02 . 2 . . . . B 65 ARG HB2 . 30245 1 1792 . 2 1 65 65 ARG HB3 H 1 1.867 0.02 . 2 . . . . B 65 ARG HB3 . 30245 1 1793 . 2 1 65 65 ARG HG2 H 1 1.944 0.02 . 2 . . . . B 65 ARG HG2 . 30245 1 1794 . 2 1 65 65 ARG HG3 H 1 1.785 0.02 . 2 . . . . B 65 ARG HG3 . 30245 1 1795 . 2 1 65 65 ARG HD2 H 1 3.251 0.02 . 2 . . . . B 65 ARG HD2 . 30245 1 1796 . 2 1 65 65 ARG HD3 H 1 3.167 0.02 . 2 . . . . B 65 ARG HD3 . 30245 1 1797 . 2 1 65 65 ARG C C 13 176.778 0.1 . 1 . . . . B 65 ARG C . 30245 1 1798 . 2 1 65 65 ARG CA C 13 57.240 0.1 . 1 . . . . B 65 ARG CA . 30245 1 1799 . 2 1 65 65 ARG CB C 13 30.590 0.1 . 1 . . . . B 65 ARG CB . 30245 1 1800 . 2 1 65 65 ARG CG C 13 27.948 0.1 . 1 . . . . B 65 ARG CG . 30245 1 1801 . 2 1 65 65 ARG CD C 13 44.133 0.1 . 1 . . . . B 65 ARG CD . 30245 1 1802 . 2 1 65 65 ARG N N 15 118.765 0.1 . 1 . . . . B 65 ARG N . 30245 1 1803 . 2 1 66 66 ARG H H 1 7.371 0.02 . 1 . . . . B 66 ARG H . 30245 1 1804 . 2 1 66 66 ARG HA H 1 4.059 0.02 . 1 . . . . B 66 ARG HA . 30245 1 1805 . 2 1 66 66 ARG HB2 H 1 1.637 0.02 . 2 . . . . B 66 ARG HB2 . 30245 1 1806 . 2 1 66 66 ARG HB3 H 1 1.576 0.02 . 2 . . . . B 66 ARG HB3 . 30245 1 1807 . 2 1 66 66 ARG HG2 H 1 1.642 0.02 . 2 . . . . B 66 ARG HG2 . 30245 1 1808 . 2 1 66 66 ARG HG3 H 1 1.590 0.02 . 2 . . . . B 66 ARG HG3 . 30245 1 1809 . 2 1 66 66 ARG HD2 H 1 3.065 0.02 . 1 . . . . B 66 ARG HD2 . 30245 1 1810 . 2 1 66 66 ARG C C 13 175.369 0.1 . 1 . . . . B 66 ARG C . 30245 1 1811 . 2 1 66 66 ARG CA C 13 58.014 0.1 . 1 . . . . B 66 ARG CA . 30245 1 1812 . 2 1 66 66 ARG CB C 13 30.213 0.1 . 1 . . . . B 66 ARG CB . 30245 1 1813 . 2 1 66 66 ARG CG C 13 26.977 0.1 . 1 . . . . B 66 ARG CG . 30245 1 1814 . 2 1 66 66 ARG CD C 13 44.133 0.1 . 1 . . . . B 66 ARG CD . 30245 1 1815 . 2 1 66 66 ARG N N 15 118.441 0.1 . 1 . . . . B 66 ARG N . 30245 1 1816 . 2 1 67 67 HIS H H 1 7.103 0.02 . 1 . . . . B 67 HIS H . 30245 1 1817 . 2 1 67 67 HIS HA H 1 4.853 0.02 . 1 . . . . B 67 HIS HA . 30245 1 1818 . 2 1 67 67 HIS HB2 H 1 3.118 0.02 . 2 . . . . B 67 HIS HB2 . 30245 1 1819 . 2 1 67 67 HIS HB3 H 1 2.733 0.02 . 2 . . . . B 67 HIS HB3 . 30245 1 1820 . 2 1 67 67 HIS HD2 H 1 6.797 0.02 . 1 . . . . B 67 HIS HD2 . 30245 1 1821 . 2 1 67 67 HIS HE1 H 1 7.612 0.02 . 1 . . . . B 67 HIS HE1 . 30245 1 1822 . 2 1 67 67 HIS C C 13 175.441 0.1 . 1 . . . . B 67 HIS C . 30245 1 1823 . 2 1 67 67 HIS CA C 13 53.701 0.1 . 1 . . . . B 67 HIS CA . 30245 1 1824 . 2 1 67 67 HIS CB C 13 32.193 0.1 . 1 . . . . B 67 HIS CB . 30245 1 1825 . 2 1 67 67 HIS CD2 C 13 125.835 0.1 . 1 . . . . B 67 HIS CD2 . 30245 1 1826 . 2 1 67 67 HIS CE1 C 13 139.300 0.1 . 1 . . . . B 67 HIS CE1 . 30245 1 1827 . 2 1 67 67 HIS N N 15 115.596 0.1 . 1 . . . . B 67 HIS N . 30245 1 1828 . 2 1 68 68 GLU H H 1 9.108 0.02 . 1 . . . . B 68 GLU H . 30245 1 1829 . 2 1 68 68 GLU HA H 1 4.557 0.02 . 1 . . . . B 68 GLU HA . 30245 1 1830 . 2 1 68 68 GLU HB2 H 1 2.443 0.02 . 2 . . . . B 68 GLU HB2 . 30245 1 1831 . 2 1 68 68 GLU HB3 H 1 1.944 0.02 . 2 . . . . B 68 GLU HB3 . 30245 1 1832 . 2 1 68 68 GLU HG2 H 1 2.571 0.02 . 2 . . . . B 68 GLU HG2 . 30245 1 1833 . 2 1 68 68 GLU HG3 H 1 2.405 0.02 . 2 . . . . B 68 GLU HG3 . 30245 1 1834 . 2 1 68 68 GLU C C 13 179.176 0.1 . 1 . . . . B 68 GLU C . 30245 1 1835 . 2 1 68 68 GLU CB C 13 30.861 0.1 . 1 . . . . B 68 GLU CB . 30245 1 1836 . 2 1 68 68 GLU CG C 13 36.688 0.1 . 1 . . . . B 68 GLU CG . 30245 1 1837 . 2 1 68 68 GLU N N 15 122.112 0.1 . 1 . . . . B 68 GLU N . 30245 1 1838 . 2 1 69 69 ARG H H 1 7.161 0.02 . 1 . . . . B 69 ARG H . 30245 1 1839 . 2 1 69 69 ARG HA H 1 3.834 0.02 . 1 . . . . B 69 ARG HA . 30245 1 1840 . 2 1 69 69 ARG HB2 H 1 1.896 0.02 . 2 . . . . B 69 ARG HB2 . 30245 1 1841 . 2 1 69 69 ARG HB3 H 1 1.753 0.02 . 2 . . . . B 69 ARG HB3 . 30245 1 1842 . 2 1 69 69 ARG HG2 H 1 1.756 0.02 . 2 . . . . B 69 ARG HG2 . 30245 1 1843 . 2 1 69 69 ARG HG3 H 1 1.427 0.02 . 2 . . . . B 69 ARG HG3 . 30245 1 1844 . 2 1 69 69 ARG HD2 H 1 3.129 0.02 . 2 . . . . B 69 ARG HD2 . 30245 1 1845 . 2 1 69 69 ARG HD3 H 1 2.766 0.02 . 2 . . . . B 69 ARG HD3 . 30245 1 1846 . 2 1 69 69 ARG C C 13 178.521 0.1 . 1 . . . . B 69 ARG C . 30245 1 1847 . 2 1 69 69 ARG CA C 13 61.629 0.1 . 1 . . . . B 69 ARG CA . 30245 1 1848 . 2 1 69 69 ARG CB C 13 31.062 0.1 . 1 . . . . B 69 ARG CB . 30245 1 1849 . 2 1 69 69 ARG CG C 13 29.243 0.1 . 1 . . . . B 69 ARG CG . 30245 1 1850 . 2 1 69 69 ARG CD C 13 44.387 0.1 . 1 . . . . B 69 ARG CD . 30245 1 1851 . 2 1 70 70 ASP H H 1 9.096 0.02 . 1 . . . . B 70 ASP H . 30245 1 1852 . 2 1 70 70 ASP HA H 1 3.953 0.02 . 1 . . . . B 70 ASP HA . 30245 1 1853 . 2 1 70 70 ASP HB2 H 1 2.554 0.02 . 1 . . . . B 70 ASP HB2 . 30245 1 1854 . 2 1 70 70 ASP C C 13 177.885 0.1 . 1 . . . . B 70 ASP C . 30245 1 1855 . 2 1 70 70 ASP CA C 13 57.445 0.1 . 1 . . . . B 70 ASP CA . 30245 1 1856 . 2 1 70 70 ASP CB C 13 39.358 0.1 . 1 . . . . B 70 ASP CB . 30245 1 1857 . 2 1 70 70 ASP N N 15 115.766 0.1 . 1 . . . . B 70 ASP N . 30245 1 1858 . 2 1 71 71 GLU H H 1 7.154 0.02 . 1 . . . . B 71 GLU H . 30245 1 1859 . 2 1 71 71 GLU HA H 1 4.126 0.02 . 1 . . . . B 71 GLU HA . 30245 1 1860 . 2 1 71 71 GLU HB2 H 1 2.411 0.02 . 2 . . . . B 71 GLU HB2 . 30245 1 1861 . 2 1 71 71 GLU HB3 H 1 2.221 0.02 . 2 . . . . B 71 GLU HB3 . 30245 1 1862 . 2 1 71 71 GLU HG2 H 1 2.426 0.02 . 2 . . . . B 71 GLU HG2 . 30245 1 1863 . 2 1 71 71 GLU HG3 H 1 2.340 0.02 . 2 . . . . B 71 GLU HG3 . 30245 1 1864 . 2 1 71 71 GLU C C 13 180.288 0.1 . 1 . . . . B 71 GLU C . 30245 1 1865 . 2 1 71 71 GLU CA C 13 59.345 0.1 . 1 . . . . B 71 GLU CA . 30245 1 1866 . 2 1 71 71 GLU CB C 13 30.449 0.1 . 1 . . . . B 71 GLU CB . 30245 1 1867 . 2 1 71 71 GLU CG C 13 37.012 0.1 . 1 . . . . B 71 GLU CG . 30245 1 1868 . 2 1 71 71 GLU N N 15 121.210 0.1 . 1 . . . . B 71 GLU N . 30245 1 1869 . 2 1 72 72 ILE H H 1 7.730 0.02 . 1 . . . . B 72 ILE H . 30245 1 1870 . 2 1 72 72 ILE HA H 1 3.499 0.02 . 1 . . . . B 72 ILE HA . 30245 1 1871 . 2 1 72 72 ILE HB H 1 1.891 0.02 . 1 . . . . B 72 ILE HB . 30245 1 1872 . 2 1 72 72 ILE HG12 H 1 1.874 0.02 . 2 . . . . B 72 ILE HG12 . 30245 1 1873 . 2 1 72 72 ILE HG13 H 1 0.659 0.02 . 2 . . . . B 72 ILE HG13 . 30245 1 1874 . 2 1 72 72 ILE HG21 H 1 0.755 0.02 . 1 . . . . B 72 ILE HG21 . 30245 1 1875 . 2 1 72 72 ILE HG22 H 1 0.755 0.02 . 1 . . . . B 72 ILE HG22 . 30245 1 1876 . 2 1 72 72 ILE HG23 H 1 0.755 0.02 . 1 . . . . B 72 ILE HG23 . 30245 1 1877 . 2 1 72 72 ILE HD11 H 1 0.964 0.02 . 1 . . . . B 72 ILE HD11 . 30245 1 1878 . 2 1 72 72 ILE HD12 H 1 0.964 0.02 . 1 . . . . B 72 ILE HD12 . 30245 1 1879 . 2 1 72 72 ILE HD13 H 1 0.964 0.02 . 1 . . . . B 72 ILE HD13 . 30245 1 1880 . 2 1 72 72 ILE C C 13 177.663 0.1 . 1 . . . . B 72 ILE C . 30245 1 1881 . 2 1 72 72 ILE CA C 13 66.504 0.1 . 1 . . . . B 72 ILE CA . 30245 1 1882 . 2 1 72 72 ILE CB C 13 38.250 0.1 . 1 . . . . B 72 ILE CB . 30245 1 1883 . 2 1 72 72 ILE CG1 C 13 28.919 0.1 . 1 . . . . B 72 ILE CG1 . 30245 1 1884 . 2 1 72 72 ILE CG2 C 13 18.237 0.1 . 1 . . . . B 72 ILE CG2 . 30245 1 1885 . 2 1 72 72 ILE CD1 C 13 13.705 0.1 . 1 . . . . B 72 ILE CD1 . 30245 1 1886 . 2 1 72 72 ILE N N 15 119.643 0.1 . 1 . . . . B 72 ILE N . 30245 1 1887 . 2 1 73 73 MET H H 1 8.436 0.02 . 1 . . . . B 73 MET H . 30245 1 1888 . 2 1 73 73 MET HA H 1 4.090 0.02 . 1 . . . . B 73 MET HA . 30245 1 1889 . 2 1 73 73 MET HB2 H 1 2.054 0.02 . 1 . . . . B 73 MET HB2 . 30245 1 1890 . 2 1 73 73 MET HG2 H 1 2.500 0.02 . 2 . . . . B 73 MET HG2 . 30245 1 1891 . 2 1 73 73 MET HG3 H 1 2.390 0.02 . 2 . . . . B 73 MET HG3 . 30245 1 1892 . 2 1 73 73 MET HE1 H 1 1.884 0.02 . 1 . . . . B 73 MET HE1 . 30245 1 1893 . 2 1 73 73 MET HE2 H 1 1.884 0.02 . 1 . . . . B 73 MET HE2 . 30245 1 1894 . 2 1 73 73 MET HE3 H 1 1.884 0.02 . 1 . . . . B 73 MET HE3 . 30245 1 1895 . 2 1 73 73 MET C C 13 179.600 0.1 . 1 . . . . B 73 MET C . 30245 1 1896 . 2 1 73 73 MET CA C 13 58.537 0.1 . 1 . . . . B 73 MET CA . 30245 1 1897 . 2 1 73 73 MET CB C 13 33.513 0.1 . 1 . . . . B 73 MET CB . 30245 1 1898 . 2 1 73 73 MET CG C 13 33.451 0.1 . 1 . . . . B 73 MET CG . 30245 1 1899 . 2 1 73 73 MET CE C 13 19.531 0.1 . 1 . . . . B 73 MET CE . 30245 1 1900 . 2 1 73 73 MET N N 15 117.584 0.1 . 1 . . . . B 73 MET N . 30245 1 1901 . 2 1 74 74 GLU H H 1 8.795 0.02 . 1 . . . . B 74 GLU H . 30245 1 1902 . 2 1 74 74 GLU HA H 1 3.662 0.02 . 1 . . . . B 74 GLU HA . 30245 1 1903 . 2 1 74 74 GLU HB2 H 1 2.269 0.02 . 2 . . . . B 74 GLU HB2 . 30245 1 1904 . 2 1 74 74 GLU HB3 H 1 2.145 0.02 . 2 . . . . B 74 GLU HB3 . 30245 1 1905 . 2 1 74 74 GLU HG2 H 1 2.318 0.02 . 2 . . . . B 74 GLU HG2 . 30245 1 1906 . 2 1 74 74 GLU HG3 H 1 2.145 0.02 . 2 . . . . B 74 GLU HG3 . 30245 1 1907 . 2 1 74 74 GLU C C 13 177.293 0.1 . 1 . . . . B 74 GLU C . 30245 1 1908 . 2 1 74 74 GLU CA C 13 61.242 0.1 . 1 . . . . B 74 GLU CA . 30245 1 1909 . 2 1 74 74 GLU CB C 13 29.890 0.1 . 1 . . . . B 74 GLU CB . 30245 1 1910 . 2 1 74 74 GLU CG C 13 37.012 0.1 . 1 . . . . B 74 GLU CG . 30245 1 1911 . 2 1 74 74 GLU N N 15 123.489 0.1 . 1 . . . . B 74 GLU N . 30245 1 1912 . 2 1 75 75 GLU H H 1 7.550 0.02 . 1 . . . . B 75 GLU H . 30245 1 1913 . 2 1 75 75 GLU HA H 1 4.415 0.02 . 1 . . . . B 75 GLU HA . 30245 1 1914 . 2 1 75 75 GLU HB2 H 1 2.171 0.02 . 2 . . . . B 75 GLU HB2 . 30245 1 1915 . 2 1 75 75 GLU HB3 H 1 1.951 0.02 . 2 . . . . B 75 GLU HB3 . 30245 1 1916 . 2 1 75 75 GLU HG2 H 1 2.245 0.02 . 2 . . . . B 75 GLU HG2 . 30245 1 1917 . 2 1 75 75 GLU HG3 H 1 2.133 0.02 . 2 . . . . B 75 GLU HG3 . 30245 1 1918 . 2 1 75 75 GLU C C 13 178.837 0.1 . 1 . . . . B 75 GLU C . 30245 1 1919 . 2 1 75 75 GLU CA C 13 59.599 0.1 . 1 . . . . B 75 GLU CA . 30245 1 1920 . 2 1 75 75 GLU CB C 13 29.243 0.1 . 1 . . . . B 75 GLU CB . 30245 1 1921 . 2 1 75 75 GLU CG C 13 34.098 0.1 . 1 . . . . B 75 GLU CG . 30245 1 1922 . 2 1 75 75 GLU N N 15 120.934 0.1 . 1 . . . . B 75 GLU N . 30245 1 1923 . 2 1 76 76 LEU H H 1 8.169 0.02 . 1 . . . . B 76 LEU H . 30245 1 1924 . 2 1 76 76 LEU HA H 1 3.915 0.02 . 1 . . . . B 76 LEU HA . 30245 1 1925 . 2 1 76 76 LEU HB2 H 1 1.724 0.02 . 2 . . . . B 76 LEU HB2 . 30245 1 1926 . 2 1 76 76 LEU HB3 H 1 1.270 0.02 . 2 . . . . B 76 LEU HB3 . 30245 1 1927 . 2 1 76 76 LEU HG H 1 1.568 0.02 . 1 . . . . B 76 LEU HG . 30245 1 1928 . 2 1 76 76 LEU HD11 H 1 0.354 0.02 . 2 . . . . B 76 LEU HD11 . 30245 1 1929 . 2 1 76 76 LEU HD12 H 1 0.354 0.02 . 2 . . . . B 76 LEU HD12 . 30245 1 1930 . 2 1 76 76 LEU HD13 H 1 0.354 0.02 . 2 . . . . B 76 LEU HD13 . 30245 1 1931 . 2 1 76 76 LEU HD21 H 1 0.256 0.02 . 2 . . . . B 76 LEU HD21 . 30245 1 1932 . 2 1 76 76 LEU HD22 H 1 0.256 0.02 . 2 . . . . B 76 LEU HD22 . 30245 1 1933 . 2 1 76 76 LEU HD23 H 1 0.256 0.02 . 2 . . . . B 76 LEU HD23 . 30245 1 1934 . 2 1 76 76 LEU C C 13 180.643 0.1 . 1 . . . . B 76 LEU C . 30245 1 1935 . 2 1 76 76 LEU CA C 13 59.222 0.1 . 1 . . . . B 76 LEU CA . 30245 1 1936 . 2 1 76 76 LEU CB C 13 43.412 0.1 . 1 . . . . B 76 LEU CB . 30245 1 1937 . 2 1 76 76 LEU CG C 13 28.272 0.1 . 1 . . . . B 76 LEU CG . 30245 1 1938 . 2 1 76 76 LEU CD1 C 13 24.711 0.1 . 1 . . . . B 76 LEU CD1 . 30245 1 1939 . 2 1 76 76 LEU CD2 C 13 24.063 0.1 . 1 . . . . B 76 LEU CD2 . 30245 1 1940 . 2 1 76 76 LEU N N 15 117.710 0.1 . 1 . . . . B 76 LEU N . 30245 1 1941 . 2 1 77 77 THR H H 1 8.182 0.02 . 1 . . . . B 77 THR H . 30245 1 1942 . 2 1 77 77 THR HA H 1 3.805 0.02 . 1 . . . . B 77 THR HA . 30245 1 1943 . 2 1 77 77 THR HB H 1 4.046 0.02 . 1 . . . . B 77 THR HB . 30245 1 1944 . 2 1 77 77 THR HG21 H 1 1.126 0.02 . 1 . . . . B 77 THR HG21 . 30245 1 1945 . 2 1 77 77 THR HG22 H 1 1.126 0.02 . 1 . . . . B 77 THR HG22 . 30245 1 1946 . 2 1 77 77 THR HG23 H 1 1.126 0.02 . 1 . . . . B 77 THR HG23 . 30245 1 1947 . 2 1 77 77 THR C C 13 176.427 0.1 . 1 . . . . B 77 THR C . 30245 1 1948 . 2 1 77 77 THR CA C 13 68.434 0.1 . 1 . . . . B 77 THR CA . 30245 1 1949 . 2 1 77 77 THR CB C 13 68.734 0.1 . 1 . . . . B 77 THR CB . 30245 1 1950 . 2 1 77 77 THR CG2 C 13 22.121 0.1 . 1 . . . . B 77 THR CG2 . 30245 1 1951 . 2 1 77 77 THR N N 15 116.735 0.1 . 1 . . . . B 77 THR N . 30245 1 1952 . 2 1 78 78 LYS H H 1 8.898 0.02 . 1 . . . . B 78 LYS H . 30245 1 1953 . 2 1 78 78 LYS HA H 1 3.842 0.02 . 1 . . . . B 78 LYS HA . 30245 1 1954 . 2 1 78 78 LYS HB2 H 1 2.010 0.02 . 1 . . . . B 78 LYS HB2 . 30245 1 1955 . 2 1 78 78 LYS HG2 H 1 1.824 0.02 . 2 . . . . B 78 LYS HG2 . 30245 1 1956 . 2 1 78 78 LYS HG3 H 1 1.428 0.02 . 2 . . . . B 78 LYS HG3 . 30245 1 1957 . 2 1 78 78 LYS HD2 H 1 1.863 0.02 . 2 . . . . B 78 LYS HD2 . 30245 1 1958 . 2 1 78 78 LYS HD3 H 1 1.800 0.02 . 2 . . . . B 78 LYS HD3 . 30245 1 1959 . 2 1 78 78 LYS HE2 H 1 3.000 0.02 . 1 . . . . B 78 LYS HE2 . 30245 1 1960 . 2 1 78 78 LYS C C 13 178.204 0.1 . 1 . . . . B 78 LYS C . 30245 1 1961 . 2 1 78 78 LYS CA C 13 61.826 0.1 . 1 . . . . B 78 LYS CA . 30245 1 1962 . 2 1 78 78 LYS CB C 13 33.183 0.1 . 1 . . . . B 78 LYS CB . 30245 1 1963 . 2 1 78 78 LYS CG C 13 27.300 0.1 . 1 . . . . B 78 LYS CG . 30245 1 1964 . 2 1 78 78 LYS CD C 13 30.214 0.1 . 1 . . . . B 78 LYS CD . 30245 1 1965 . 2 1 78 78 LYS CE C 13 42.514 0.1 . 1 . . . . B 78 LYS CE . 30245 1 1966 . 2 1 78 78 LYS N N 15 121.955 0.1 . 1 . . . . B 78 LYS N . 30245 1 1967 . 2 1 79 79 TYR H H 1 8.427 0.02 . 1 . . . . B 79 TYR H . 30245 1 1968 . 2 1 79 79 TYR HA H 1 4.176 0.02 . 1 . . . . B 79 TYR HA . 30245 1 1969 . 2 1 79 79 TYR HB2 H 1 3.689 0.02 . 2 . . . . B 79 TYR HB2 . 30245 1 1970 . 2 1 79 79 TYR HB3 H 1 3.379 0.02 . 2 . . . . B 79 TYR HB3 . 30245 1 1971 . 2 1 79 79 TYR HD1 H 1 7.580 0.02 . 1 . . . . B 79 TYR HD1 . 30245 1 1972 . 2 1 79 79 TYR HD2 H 1 7.580 0.02 . 1 . . . . B 79 TYR HD2 . 30245 1 1973 . 2 1 79 79 TYR HE1 H 1 6.705 0.02 . 1 . . . . B 79 TYR HE1 . 30245 1 1974 . 2 1 79 79 TYR HE2 H 1 6.705 0.02 . 1 . . . . B 79 TYR HE2 . 30245 1 1975 . 2 1 79 79 TYR C C 13 178.512 0.1 . 1 . . . . B 79 TYR C . 30245 1 1976 . 2 1 79 79 TYR CA C 13 63.212 0.1 . 1 . . . . B 79 TYR CA . 30245 1 1977 . 2 1 79 79 TYR CB C 13 39.925 0.1 . 1 . . . . B 79 TYR CB . 30245 1 1978 . 2 1 79 79 TYR CD1 C 13 134.380 0.1 . 1 . . . . B 79 TYR CD1 . 30245 1 1979 . 2 1 79 79 TYR CE1 C 13 118.843 0.1 . 1 . . . . B 79 TYR CE1 . 30245 1 1980 . 2 1 79 79 TYR N N 15 118.386 0.1 . 1 . . . . B 79 TYR N . 30245 1 1981 . 2 1 80 80 TYR H H 1 7.991 0.02 . 1 . . . . B 80 TYR H . 30245 1 1982 . 2 1 80 80 TYR HA H 1 3.987 0.02 . 1 . . . . B 80 TYR HA . 30245 1 1983 . 2 1 80 80 TYR HB2 H 1 3.894 0.02 . 2 . . . . B 80 TYR HB2 . 30245 1 1984 . 2 1 80 80 TYR HB3 H 1 2.971 0.02 . 2 . . . . B 80 TYR HB3 . 30245 1 1985 . 2 1 80 80 TYR HD1 H 1 6.699 0.02 . 1 . . . . B 80 TYR HD1 . 30245 1 1986 . 2 1 80 80 TYR HD2 H 1 6.699 0.02 . 1 . . . . B 80 TYR HD2 . 30245 1 1987 . 2 1 80 80 TYR HE1 H 1 6.188 0.02 . 1 . . . . B 80 TYR HE1 . 30245 1 1988 . 2 1 80 80 TYR HE2 H 1 6.188 0.02 . 1 . . . . B 80 TYR HE2 . 30245 1 1989 . 2 1 80 80 TYR C C 13 180.500 0.1 . 1 . . . . B 80 TYR C . 30245 1 1990 . 2 1 80 80 TYR CA C 13 63.279 0.1 . 1 . . . . B 80 TYR CA . 30245 1 1991 . 2 1 80 80 TYR CB C 13 39.925 0.1 . 1 . . . . B 80 TYR CB . 30245 1 1992 . 2 1 80 80 TYR CD1 C 13 133.085 0.1 . 1 . . . . B 80 TYR CD1 . 30245 1 1993 . 2 1 80 80 TYR CE1 C 13 117.807 0.1 . 1 . . . . B 80 TYR CE1 . 30245 1 1994 . 2 1 80 80 TYR N N 15 119.361 0.1 . 1 . . . . B 80 TYR N . 30245 1 1995 . 2 1 81 81 LEU H H 1 8.548 0.02 . 1 . . . . B 81 LEU H . 30245 1 1996 . 2 1 81 81 LEU HA H 1 3.904 0.02 . 1 . . . . B 81 LEU HA . 30245 1 1997 . 2 1 81 81 LEU HB2 H 1 1.833 0.02 . 2 . . . . B 81 LEU HB2 . 30245 1 1998 . 2 1 81 81 LEU HB3 H 1 1.085 0.02 . 2 . . . . B 81 LEU HB3 . 30245 1 1999 . 2 1 81 81 LEU HG H 1 1.996 0.02 . 1 . . . . B 81 LEU HG . 30245 1 2000 . 2 1 81 81 LEU HD11 H 1 0.856 0.02 . 2 . . . . B 81 LEU HD11 . 30245 1 2001 . 2 1 81 81 LEU HD12 H 1 0.856 0.02 . 2 . . . . B 81 LEU HD12 . 30245 1 2002 . 2 1 81 81 LEU HD13 H 1 0.856 0.02 . 2 . . . . B 81 LEU HD13 . 30245 1 2003 . 2 1 81 81 LEU HD21 H 1 0.781 0.02 . 2 . . . . B 81 LEU HD21 . 30245 1 2004 . 2 1 81 81 LEU HD22 H 1 0.781 0.02 . 2 . . . . B 81 LEU HD22 . 30245 1 2005 . 2 1 81 81 LEU HD23 H 1 0.781 0.02 . 2 . . . . B 81 LEU HD23 . 30245 1 2006 . 2 1 81 81 LEU C C 13 179.008 0.1 . 1 . . . . B 81 LEU C . 30245 1 2007 . 2 1 81 81 LEU CA C 13 59.090 0.1 . 1 . . . . B 81 LEU CA . 30245 1 2008 . 2 1 81 81 LEU CB C 13 41.543 0.1 . 1 . . . . B 81 LEU CB . 30245 1 2009 . 2 1 81 81 LEU CG C 13 27.948 0.1 . 1 . . . . B 81 LEU CG . 30245 1 2010 . 2 1 81 81 LEU CD1 C 13 27.624 0.1 . 1 . . . . B 81 LEU CD1 . 30245 1 2011 . 2 1 81 81 LEU CD2 C 13 22.769 0.1 . 1 . . . . B 81 LEU CD2 . 30245 1 2012 . 2 1 81 81 LEU N N 15 120.908 0.1 . 1 . . . . B 81 LEU N . 30245 1 2013 . 2 1 82 82 ALA H H 1 8.690 0.02 . 1 . . . . B 82 ALA H . 30245 1 2014 . 2 1 82 82 ALA HA H 1 4.717 0.02 . 1 . . . . B 82 ALA HA . 30245 1 2015 . 2 1 82 82 ALA HB1 H 1 1.428 0.02 . 1 . . . . B 82 ALA HB1 . 30245 1 2016 . 2 1 82 82 ALA HB2 H 1 1.428 0.02 . 1 . . . . B 82 ALA HB2 . 30245 1 2017 . 2 1 82 82 ALA HB3 H 1 1.428 0.02 . 1 . . . . B 82 ALA HB3 . 30245 1 2018 . 2 1 82 82 ALA C C 13 181.031 0.1 . 1 . . . . B 82 ALA C . 30245 1 2019 . 2 1 82 82 ALA CA C 13 54.813 0.1 . 1 . . . . B 82 ALA CA . 30245 1 2020 . 2 1 82 82 ALA CB C 13 18.712 0.1 . 1 . . . . B 82 ALA CB . 30245 1 2021 . 2 1 82 82 ALA N N 15 122.333 0.1 . 1 . . . . B 82 ALA N . 30245 1 2022 . 2 1 83 83 ASN H H 1 7.279 0.02 . 1 . . . . B 83 ASN H . 30245 1 2023 . 2 1 83 83 ASN HA H 1 4.512 0.02 . 1 . . . . B 83 ASN HA . 30245 1 2024 . 2 1 83 83 ASN HB2 H 1 2.838 0.02 . 2 . . . . B 83 ASN HB2 . 30245 1 2025 . 2 1 83 83 ASN HB3 H 1 2.323 0.02 . 2 . . . . B 83 ASN HB3 . 30245 1 2026 . 2 1 83 83 ASN HD21 H 1 6.949 0.02 . 2 . . . . B 83 ASN HD21 . 30245 1 2027 . 2 1 83 83 ASN HD22 H 1 6.173 0.02 . 2 . . . . B 83 ASN HD22 . 30245 1 2028 . 2 1 83 83 ASN C C 13 174.809 0.1 . 1 . . . . B 83 ASN C . 30245 1 2029 . 2 1 83 83 ASN CA C 13 55.272 0.1 . 1 . . . . B 83 ASN CA . 30245 1 2030 . 2 1 83 83 ASN CB C 13 40.275 0.1 . 1 . . . . B 83 ASN CB . 30245 1 2031 . 2 1 83 83 ASN N N 15 113.565 0.1 . 1 . . . . B 83 ASN N . 30245 1 2032 . 2 1 83 83 ASN ND2 N 15 114.119 0.1 . 1 . . . . B 83 ASN ND2 . 30245 1 2033 . 2 1 84 84 HIS H H 1 7.532 0.02 . 1 . . . . B 84 HIS H . 30245 1 2034 . 2 1 84 84 HIS HA H 1 4.465 0.02 . 1 . . . . B 84 HIS HA . 30245 1 2035 . 2 1 84 84 HIS HB2 H 1 3.599 0.02 . 2 . . . . B 84 HIS HB2 . 30245 1 2036 . 2 1 84 84 HIS HB3 H 1 2.470 0.02 . 2 . . . . B 84 HIS HB3 . 30245 1 2037 . 2 1 84 84 HIS HD2 H 1 7.030 0.02 . 1 . . . . B 84 HIS HD2 . 30245 1 2038 . 2 1 84 84 HIS HE1 H 1 7.632 0.02 . 1 . . . . B 84 HIS HE1 . 30245 1 2039 . 2 1 84 84 HIS C C 13 174.646 0.1 . 1 . . . . B 84 HIS C . 30245 1 2040 . 2 1 84 84 HIS CA C 13 57.792 0.1 . 1 . . . . B 84 HIS CA . 30245 1 2041 . 2 1 84 84 HIS CB C 13 28.186 0.1 . 1 . . . . B 84 HIS CB . 30245 1 2042 . 2 1 84 84 HIS CD2 C 13 121.174 0.1 . 1 . . . . B 84 HIS CD2 . 30245 1 2043 . 2 1 84 84 HIS CE1 C 13 139.041 0.1 . 1 . . . . B 84 HIS CE1 . 30245 1 2044 . 2 1 84 84 HIS N N 15 116.863 0.1 . 1 . . . . B 84 HIS N . 30245 1 2045 . 2 1 85 85 GLY H H 1 7.586 0.02 . 1 . . . . B 85 GLY H . 30245 1 2046 . 2 1 85 85 GLY HA2 H 1 4.118 0.02 . 2 . . . . B 85 GLY HA2 . 30245 1 2047 . 2 1 85 85 GLY HA3 H 1 3.631 0.02 . 2 . . . . B 85 GLY HA3 . 30245 1 2048 . 2 1 85 85 GLY C C 13 174.284 0.1 . 1 . . . . B 85 GLY C . 30245 1 2049 . 2 1 85 85 GLY CA C 13 46.615 0.1 . 1 . . . . B 85 GLY CA . 30245 1 2050 . 2 1 85 85 GLY N N 15 105.790 0.1 . 1 . . . . B 85 GLY N . 30245 1 2051 . 2 1 86 86 ILE H H 1 7.458 0.02 . 1 . . . . B 86 ILE H . 30245 1 2052 . 2 1 86 86 ILE HA H 1 3.969 0.02 . 1 . . . . B 86 ILE HA . 30245 1 2053 . 2 1 86 86 ILE HB H 1 1.325 0.02 . 1 . . . . B 86 ILE HB . 30245 1 2054 . 2 1 86 86 ILE HG12 H 1 1.055 0.02 . 2 . . . . B 86 ILE HG12 . 30245 1 2055 . 2 1 86 86 ILE HG13 H 1 1.025 0.02 . 2 . . . . B 86 ILE HG13 . 30245 1 2056 . 2 1 86 86 ILE HG21 H 1 0.138 0.02 . 1 . . . . B 86 ILE HG21 . 30245 1 2057 . 2 1 86 86 ILE HG22 H 1 0.138 0.02 . 1 . . . . B 86 ILE HG22 . 30245 1 2058 . 2 1 86 86 ILE HG23 H 1 0.138 0.02 . 1 . . . . B 86 ILE HG23 . 30245 1 2059 . 2 1 86 86 ILE HD11 H 1 0.594 0.02 . 1 . . . . B 86 ILE HD11 . 30245 1 2060 . 2 1 86 86 ILE HD12 H 1 0.594 0.02 . 1 . . . . B 86 ILE HD12 . 30245 1 2061 . 2 1 86 86 ILE HD13 H 1 0.594 0.02 . 1 . . . . B 86 ILE HD13 . 30245 1 2062 . 2 1 86 86 ILE C C 13 175.218 0.1 . 1 . . . . B 86 ILE C . 30245 1 2063 . 2 1 86 86 ILE CA C 13 60.353 0.1 . 1 . . . . B 86 ILE CA . 30245 1 2064 . 2 1 86 86 ILE CB C 13 37.640 0.1 . 1 . . . . B 86 ILE CB . 30245 1 2065 . 2 1 86 86 ILE CG1 C 13 28.272 0.1 . 1 . . . . B 86 ILE CG1 . 30245 1 2066 . 2 1 86 86 ILE CG2 C 13 17.913 0.1 . 1 . . . . B 86 ILE CG2 . 30245 1 2067 . 2 1 86 86 ILE CD1 C 13 12.734 0.1 . 1 . . . . B 86 ILE CD1 . 30245 1 2068 . 2 1 86 86 ILE N N 15 121.652 0.1 . 1 . . . . B 86 ILE N . 30245 1 2069 . 2 1 87 87 ASP H H 1 8.253 0.02 . 1 . . . . B 87 ASP H . 30245 1 2070 . 2 1 87 87 ASP HA H 1 4.604 0.02 . 1 . . . . B 87 ASP HA . 30245 1 2071 . 2 1 87 87 ASP HB2 H 1 2.706 0.02 . 2 . . . . B 87 ASP HB2 . 30245 1 2072 . 2 1 87 87 ASP HB3 H 1 2.553 0.02 . 2 . . . . B 87 ASP HB3 . 30245 1 2073 . 2 1 87 87 ASP C C 13 175.338 0.1 . 1 . . . . B 87 ASP C . 30245 1 2074 . 2 1 87 87 ASP CA C 13 54.301 0.1 . 1 . . . . B 87 ASP CA . 30245 1 2075 . 2 1 87 87 ASP CB C 13 40.620 0.1 . 1 . . . . B 87 ASP CB . 30245 1 2076 . 2 1 87 87 ASP N N 15 127.023 0.1 . 1 . . . . B 87 ASP N . 30245 1 2077 . 2 1 88 88 ILE H H 1 7.831 0.02 . 1 . . . . B 88 ILE H . 30245 1 2078 . 2 1 88 88 ILE HA H 1 4.254 0.02 . 1 . . . . B 88 ILE HA . 30245 1 2079 . 2 1 88 88 ILE HB H 1 1.904 0.02 . 1 . . . . B 88 ILE HB . 30245 1 2080 . 2 1 88 88 ILE HG12 H 1 1.483 0.02 . 2 . . . . B 88 ILE HG12 . 30245 1 2081 . 2 1 88 88 ILE HG13 H 1 1.220 0.02 . 2 . . . . B 88 ILE HG13 . 30245 1 2082 . 2 1 88 88 ILE HG21 H 1 0.945 0.02 . 1 . . . . B 88 ILE HG21 . 30245 1 2083 . 2 1 88 88 ILE HG22 H 1 0.945 0.02 . 1 . . . . B 88 ILE HG22 . 30245 1 2084 . 2 1 88 88 ILE HG23 H 1 0.945 0.02 . 1 . . . . B 88 ILE HG23 . 30245 1 2085 . 2 1 88 88 ILE HD11 H 1 0.870 0.02 . 1 . . . . B 88 ILE HD11 . 30245 1 2086 . 2 1 88 88 ILE HD12 H 1 0.870 0.02 . 1 . . . . B 88 ILE HD12 . 30245 1 2087 . 2 1 88 88 ILE HD13 H 1 0.870 0.02 . 1 . . . . B 88 ILE HD13 . 30245 1 2088 . 2 1 88 88 ILE C C 13 175.364 0.1 . 1 . . . . B 88 ILE C . 30245 1 2089 . 2 1 88 88 ILE CA C 13 60.912 0.1 . 1 . . . . B 88 ILE CA . 30245 1 2090 . 2 1 88 88 ILE CB C 13 39.197 0.1 . 1 . . . . B 88 ILE CB . 30245 1 2091 . 2 1 88 88 ILE CG1 C 13 27.503 0.1 . 1 . . . . B 88 ILE CG1 . 30245 1 2092 . 2 1 88 88 ILE CG2 C 13 18.171 0.1 . 1 . . . . B 88 ILE CG2 . 30245 1 2093 . 2 1 88 88 ILE CD1 C 13 14.029 0.1 . 1 . . . . B 88 ILE CD1 . 30245 1 2094 . 2 1 88 88 ILE N N 15 125.104 0.1 . 1 . . . . B 88 ILE N . 30245 1 2095 . 2 1 89 89 LYS H H 1 7.908 0.02 . 1 . . . . B 89 LYS H . 30245 1 2096 . 2 1 89 89 LYS HA H 1 4.230 0.02 . 1 . . . . B 89 LYS HA . 30245 1 2097 . 2 1 89 89 LYS HB2 H 1 1.865 0.02 . 2 . . . . B 89 LYS HB2 . 30245 1 2098 . 2 1 89 89 LYS HB3 H 1 1.779 0.02 . 2 . . . . B 89 LYS HB3 . 30245 1 2099 . 2 1 89 89 LYS HG2 H 1 1.454 0.02 . 1 . . . . B 89 LYS HG2 . 30245 1 2100 . 2 1 89 89 LYS HD2 H 1 1.709 0.02 . 1 . . . . B 89 LYS HD2 . 30245 1 2101 . 2 1 89 89 LYS HE2 H 1 3.045 0.02 . 1 . . . . B 89 LYS HE2 . 30245 1 2102 . 2 1 89 89 LYS CA C 13 58.376 0.1 . 1 . . . . B 89 LYS CA . 30245 1 2103 . 2 1 89 89 LYS CB C 13 34.098 0.1 . 1 . . . . B 89 LYS CB . 30245 1 2104 . 2 1 89 89 LYS CG C 13 25.035 0.1 . 1 . . . . B 89 LYS CG . 30245 1 2105 . 2 1 89 89 LYS CD C 13 29.566 0.1 . 1 . . . . B 89 LYS CD . 30245 1 2106 . 2 1 89 89 LYS N N 15 131.647 0.1 . 1 . . . . B 89 LYS N . 30245 1 stop_ save_