data_30782 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30782 _Entry.Title ; A common binding motif in the ET domain of BRD3 participates in polymorphic structural interfaces with host and viral proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-03 _Entry.Accession_date 2020-08-03 _Entry.Last_release_date 2020-08-19 _Entry.Original_release_date 2020-08-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Aiyer S. . . . 30782 2 G. Swapna G. V.T. . . 30782 3 M. Roth M. . . . 30782 4 G. Montelione G. T. . . 30782 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BET proteins' . 30782 BRD3 . 30782 Integrase . 30782 'VIRAL PROTEIN' . 30782 'extra-terminal domain' . 30782 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30782 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 30782 '15N chemical shifts' 87 30782 '1H chemical shifts' 601 30782 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 . . 2021-09-22 2020-08-03 update BMRB 'update entry citation' 30782 1 . . 2021-03-01 2020-08-03 original author 'original release' 30782 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7JMY 'BMRB Entry Tracking System' 30782 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30782 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33592170 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 8 _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 886 _Citation.Page_last 898 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Aiyer S. . . . 30782 1 2 G. Swapna G. V.T. . . 30782 1 3 L. Ma L. . . . 30782 1 4 G. Liu G. . . . 30782 1 5 J. Hao J. . . . 30782 1 6 G. Chalmers G. . . . 30782 1 7 B. Jacobs B. C. . . 30782 1 8 G. Montelione G. T. . . 30782 1 9 M. Roth M. . . . 30782 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30782 _Assembly.ID 1 _Assembly.Name 'Bromodomain-containing protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30782 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30782 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHSHMGKQASASYDSE EEEEGLPMSYDEKRQLSLDI NRLPGEKLGRVVHIIQSREP SLRDSNPDEIEIDFETLKPT TLRELERYVKSCLQKK ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11264.543 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING3-like protein' common 30782 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HIS . 30782 1 2 . HIS . 30782 1 3 . HIS . 30782 1 4 . HIS . 30782 1 5 . HIS . 30782 1 6 . HIS . 30782 1 7 . SER . 30782 1 8 . HIS . 30782 1 9 . MET . 30782 1 10 . GLY . 30782 1 11 . LYS . 30782 1 12 . GLN . 30782 1 13 . ALA . 30782 1 14 . SER . 30782 1 15 . ALA . 30782 1 16 . SER . 30782 1 17 . TYR . 30782 1 18 . ASP . 30782 1 19 . SER . 30782 1 20 . GLU . 30782 1 21 . GLU . 30782 1 22 . GLU . 30782 1 23 . GLU . 30782 1 24 . GLU . 30782 1 25 . GLY . 30782 1 26 . LEU . 30782 1 27 . PRO . 30782 1 28 . MET . 30782 1 29 . SER . 30782 1 30 . TYR . 30782 1 31 . ASP . 30782 1 32 . GLU . 30782 1 33 . LYS . 30782 1 34 . ARG . 30782 1 35 . GLN . 30782 1 36 . LEU . 30782 1 37 . SER . 30782 1 38 . LEU . 30782 1 39 . ASP . 30782 1 40 . ILE . 30782 1 41 . ASN . 30782 1 42 . ARG . 30782 1 43 . LEU . 30782 1 44 . PRO . 30782 1 45 . GLY . 30782 1 46 . GLU . 30782 1 47 . LYS . 30782 1 48 . LEU . 30782 1 49 . GLY . 30782 1 50 . ARG . 30782 1 51 . VAL . 30782 1 52 . VAL . 30782 1 53 . HIS . 30782 1 54 . ILE . 30782 1 55 . ILE . 30782 1 56 . GLN . 30782 1 57 . SER . 30782 1 58 . ARG . 30782 1 59 . GLU . 30782 1 60 . PRO . 30782 1 61 . SER . 30782 1 62 . LEU . 30782 1 63 . ARG . 30782 1 64 . ASP . 30782 1 65 . SER . 30782 1 66 . ASN . 30782 1 67 . PRO . 30782 1 68 . ASP . 30782 1 69 . GLU . 30782 1 70 . ILE . 30782 1 71 . GLU . 30782 1 72 . ILE . 30782 1 73 . ASP . 30782 1 74 . PHE . 30782 1 75 . GLU . 30782 1 76 . THR . 30782 1 77 . LEU . 30782 1 78 . LYS . 30782 1 79 . PRO . 30782 1 80 . THR . 30782 1 81 . THR . 30782 1 82 . LEU . 30782 1 83 . ARG . 30782 1 84 . GLU . 30782 1 85 . LEU . 30782 1 86 . GLU . 30782 1 87 . ARG . 30782 1 88 . TYR . 30782 1 89 . VAL . 30782 1 90 . LYS . 30782 1 91 . SER . 30782 1 92 . CYS . 30782 1 93 . LEU . 30782 1 94 . GLN . 30782 1 95 . LYS . 30782 1 96 . LYS . 30782 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 . HIS 1 1 30782 1 . HIS 2 2 30782 1 . HIS 3 3 30782 1 . HIS 4 4 30782 1 . HIS 5 5 30782 1 . HIS 6 6 30782 1 . SER 7 7 30782 1 . HIS 8 8 30782 1 . MET 9 9 30782 1 . GLY 10 10 30782 1 . LYS 11 11 30782 1 . GLN 12 12 30782 1 . ALA 13 13 30782 1 . SER 14 14 30782 1 . ALA 15 15 30782 1 . SER 16 16 30782 1 . TYR 17 17 30782 1 . ASP 18 18 30782 1 . SER 19 19 30782 1 . GLU 20 20 30782 1 . GLU 21 21 30782 1 . GLU 22 22 30782 1 . GLU 23 23 30782 1 . GLU 24 24 30782 1 . GLY 25 25 30782 1 . LEU 26 26 30782 1 . PRO 27 27 30782 1 . MET 28 28 30782 1 . SER 29 29 30782 1 . TYR 30 30 30782 1 . ASP 31 31 30782 1 . GLU 32 32 30782 1 . LYS 33 33 30782 1 . ARG 34 34 30782 1 . GLN 35 35 30782 1 . LEU 36 36 30782 1 . SER 37 37 30782 1 . LEU 38 38 30782 1 . ASP 39 39 30782 1 . ILE 40 40 30782 1 . ASN 41 41 30782 1 . ARG 42 42 30782 1 . LEU 43 43 30782 1 . PRO 44 44 30782 1 . GLY 45 45 30782 1 . GLU 46 46 30782 1 . LYS 47 47 30782 1 . LEU 48 48 30782 1 . GLY 49 49 30782 1 . ARG 50 50 30782 1 . VAL 51 51 30782 1 . VAL 52 52 30782 1 . HIS 53 53 30782 1 . ILE 54 54 30782 1 . ILE 55 55 30782 1 . GLN 56 56 30782 1 . SER 57 57 30782 1 . ARG 58 58 30782 1 . GLU 59 59 30782 1 . PRO 60 60 30782 1 . SER 61 61 30782 1 . LEU 62 62 30782 1 . ARG 63 63 30782 1 . ASP 64 64 30782 1 . SER 65 65 30782 1 . ASN 66 66 30782 1 . PRO 67 67 30782 1 . ASP 68 68 30782 1 . GLU 69 69 30782 1 . ILE 70 70 30782 1 . GLU 71 71 30782 1 . ILE 72 72 30782 1 . ASP 73 73 30782 1 . PHE 74 74 30782 1 . GLU 75 75 30782 1 . THR 76 76 30782 1 . LEU 77 77 30782 1 . LYS 78 78 30782 1 . PRO 79 79 30782 1 . THR 80 80 30782 1 . THR 81 81 30782 1 . LEU 82 82 30782 1 . ARG 83 83 30782 1 . GLU 84 84 30782 1 . LEU 85 85 30782 1 . GLU 86 86 30782 1 . ARG 87 87 30782 1 . TYR 88 88 30782 1 . VAL 89 89 30782 1 . LYS 90 90 30782 1 . SER 91 91 30782 1 . CYS 92 92 30782 1 . LEU 93 93 30782 1 . GLN 94 94 30782 1 . LYS 95 95 30782 1 . LYS 96 96 30782 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 30782 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BRD3, KIAA0043, RING3L' . 30782 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 30782 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . Plasmid . . pET15_NESG . . . 30782 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30782 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM 2-mercapto ethanol, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Brd3 ET Domain' [U-15N] . . 1 $entity_1 . . 0.5 . . mM 0.02 . . . 30782 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 0.02 . . . 30782 1 3 Na3PO4 'natural abundance' . . . . . . 20 . . mM 0.02 . . . 30782 1 4 '2-mercapto ethanol' 'natural abundance' . . . . . . 2 . . mM 0.02 . . . 30782 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30782 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM beta-mercaptoethanol, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Brd3 ET Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.02 . . . 30782 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 0.02 . . . 30782 2 3 Na3PO4 'natural abundance' . . . . . . 20 . . mM 0.02 . . . 30782 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM 0.02 . . . 30782 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 30782 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.2 mM 30782 1 pH 7.0 0.05 pH 30782 1 pressure 1 0.05 atm 30782 1 temperature 298 0.1 K 30782 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30782 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.2 mM 30782 2 pH 7.0 0.05 pH 30782 2 pressure 1 0.05 atm 30782 2 temperature 298 0.1 K 30782 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30782 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30782 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30782 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30782 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30782 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30782 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30782 _Software.ID 3 _Software.Type . _Software.Name AutoAssign _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 30782 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30782 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30782 _Software.ID 4 _Software.Type . _Software.Name ASDP _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang et al' . . 30782 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30782 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30782 _Software.ID 5 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30782 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30782 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30782 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30782 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30782 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30782 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 2.3b _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30782 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30782 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 30782 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with 1.7mm microcryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30782 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30782 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 30782 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 30782 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 30782 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30782 1 2 '1D T1' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30782 1 3 '1D T2' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30782 1 4 '2D HNOE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30782 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 7 '3D 1H-13C,15N simNOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 11 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 12 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 13 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30782 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 30782 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; 1D 1H spectrum with internal DSS line was used for referencing the proton. Carbon and Nitrogen spins were referenced indirectly using the gyromagnetic ratios. ; 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 carbons' . . . . ppm 0.0 internal indirect 0.25144953 . . . . . 30782 1 H 1 DSS protons . . . . ppm 0.0 internal direct 1 . . . . . 30782 1 N 15 DSS nitrogen . . . . ppm 0.0 internal indirect 0.10000 . . . . . 30782 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 30782 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30782 1 2 '1D T1' . . . 30782 1 3 '1D T2' . . . 30782 1 4 '2D HNOE' . . . 30782 1 5 '2D 1H-15N HSQC' . . . 30782 1 6 '3D 1H-13C NOESY aromatic' . . . 30782 1 7 '3D 1H-13C,15N simNOESY' . . . 30782 1 8 '3D HCCH-TOCSY' . . . 30782 1 9 '3D HBHA(CO)NH' . . . 30782 1 10 '3D CBCA(CO)NH' . . . 30782 1 11 '3D HNCACB' . . . 30782 1 12 '3D HNCA' . . . 30782 1 13 '3D HNCO' . . . 30782 1 14 '2D 1H-13C HSQC aliphatic' . . . 30782 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 MET HA H 1 4.407 0.020 . 1 . . . . A 9 MET HA . 30782 1 2 . 1 . 1 9 9 MET HB2 H 1 2.023 0.020 . 2 . . . . A 9 MET HB2 . 30782 1 3 . 1 . 1 9 9 MET HB3 H 1 1.969 0.020 . 2 . . . . A 9 MET HB3 . 30782 1 4 . 1 . 1 9 9 MET HE1 H 1 2.017 0.020 . 1 . . . . A 9 MET HE1 . 30782 1 5 . 1 . 1 9 9 MET HE2 H 1 2.017 0.020 . 1 . . . . A 9 MET HE2 . 30782 1 6 . 1 . 1 9 9 MET HE3 H 1 2.017 0.020 . 1 . . . . A 9 MET HE3 . 30782 1 7 . 1 . 1 9 9 MET CA C 13 55.766 0.400 . 1 . . . . A 9 MET CA . 30782 1 8 . 1 . 1 9 9 MET CB C 13 32.699 0.400 . 1 . . . . A 9 MET CB . 30782 1 9 . 1 . 1 9 9 MET CE C 13 16.859 0.400 . 1 . . . . A 9 MET CE . 30782 1 10 . 1 . 1 10 10 GLY H H 1 8.395 0.020 . 1 . . . . A 10 GLY H . 30782 1 11 . 1 . 1 10 10 GLY HA2 H 1 3.938 0.020 . 2 . . . . A 10 GLY HA2 . 30782 1 12 . 1 . 1 10 10 GLY HA3 H 1 3.938 0.020 . 2 . . . . A 10 GLY HA3 . 30782 1 13 . 1 . 1 10 10 GLY C C 13 174.104 0.400 . 1 . . . . A 10 GLY C . 30782 1 14 . 1 . 1 10 10 GLY CA C 13 45.113 0.400 . 1 . . . . A 10 GLY CA . 30782 1 15 . 1 . 1 10 10 GLY N N 15 109.888 0.400 . 1 . . . . A 10 GLY N . 30782 1 16 . 1 . 1 11 11 LYS H H 1 8.220 0.020 . 1 . . . . A 11 LYS H . 30782 1 17 . 1 . 1 11 11 LYS HA H 1 4.300 0.020 . 1 . . . . A 11 LYS HA . 30782 1 18 . 1 . 1 11 11 LYS HB2 H 1 1.746 0.020 . 2 . . . . A 11 LYS HB2 . 30782 1 19 . 1 . 1 11 11 LYS HB3 H 1 1.736 0.020 . 2 . . . . A 11 LYS HB3 . 30782 1 20 . 1 . 1 11 11 LYS C C 13 176.779 0.400 . 1 . . . . A 11 LYS C . 30782 1 21 . 1 . 1 11 11 LYS CA C 13 56.576 0.400 . 1 . . . . A 11 LYS CA . 30782 1 22 . 1 . 1 11 11 LYS CB C 13 33.112 0.400 . 1 . . . . A 11 LYS CB . 30782 1 23 . 1 . 1 11 11 LYS N N 15 121.013 0.400 . 1 . . . . A 11 LYS N . 30782 1 24 . 1 . 1 12 12 GLN H H 1 8.459 0.020 . 1 . . . . A 12 GLN H . 30782 1 25 . 1 . 1 12 12 GLN HA H 1 4.273 0.020 . 1 . . . . A 12 GLN HA . 30782 1 26 . 1 . 1 12 12 GLN HB2 H 1 2.079 0.020 . 2 . . . . A 12 GLN HB2 . 30782 1 27 . 1 . 1 12 12 GLN HB3 H 1 1.948 0.020 . 2 . . . . A 12 GLN HB3 . 30782 1 28 . 1 . 1 12 12 GLN C C 13 175.835 0.400 . 1 . . . . A 12 GLN C . 30782 1 29 . 1 . 1 12 12 GLN CA C 13 56.173 0.400 . 1 . . . . A 12 GLN CA . 30782 1 30 . 1 . 1 12 12 GLN CB C 13 29.315 0.400 . 1 . . . . A 12 GLN CB . 30782 1 31 . 1 . 1 12 12 GLN N N 15 121.540 0.400 . 1 . . . . A 12 GLN N . 30782 1 32 . 1 . 1 13 13 ALA H H 1 8.383 0.020 . 1 . . . . A 13 ALA H . 30782 1 33 . 1 . 1 13 13 ALA HA H 1 4.278 0.020 . 1 . . . . A 13 ALA HA . 30782 1 34 . 1 . 1 13 13 ALA HB1 H 1 1.360 0.020 . 1 . . . . A 13 ALA HB1 . 30782 1 35 . 1 . 1 13 13 ALA HB2 H 1 1.360 0.020 . 1 . . . . A 13 ALA HB2 . 30782 1 36 . 1 . 1 13 13 ALA HB3 H 1 1.360 0.020 . 1 . . . . A 13 ALA HB3 . 30782 1 37 . 1 . 1 13 13 ALA C C 13 177.759 0.400 . 1 . . . . A 13 ALA C . 30782 1 38 . 1 . 1 13 13 ALA CA C 13 52.807 0.400 . 1 . . . . A 13 ALA CA . 30782 1 39 . 1 . 1 13 13 ALA CB C 13 19.271 0.400 . 1 . . . . A 13 ALA CB . 30782 1 40 . 1 . 1 13 13 ALA N N 15 125.510 0.400 . 1 . . . . A 13 ALA N . 30782 1 41 . 1 . 1 14 14 SER H H 1 8.249 0.020 . 1 . . . . A 14 SER H . 30782 1 42 . 1 . 1 14 14 SER HA H 1 4.377 0.020 . 1 . . . . A 14 SER HA . 30782 1 43 . 1 . 1 14 14 SER HB2 H 1 3.859 0.020 . 2 . . . . A 14 SER HB2 . 30782 1 44 . 1 . 1 14 14 SER HB3 H 1 3.838 0.020 . 2 . . . . A 14 SER HB3 . 30782 1 45 . 1 . 1 14 14 SER C C 13 174.224 0.400 . 1 . . . . A 14 SER C . 30782 1 46 . 1 . 1 14 14 SER CA C 13 58.353 0.400 . 1 . . . . A 14 SER CA . 30782 1 47 . 1 . 1 14 14 SER CB C 13 63.987 0.400 . 1 . . . . A 14 SER CB . 30782 1 48 . 1 . 1 14 14 SER N N 15 114.939 0.400 . 1 . . . . A 14 SER N . 30782 1 49 . 1 . 1 15 15 ALA H H 1 8.298 0.020 . 1 . . . . A 15 ALA H . 30782 1 50 . 1 . 1 15 15 ALA HA H 1 4.315 0.020 . 1 . . . . A 15 ALA HA . 30782 1 51 . 1 . 1 15 15 ALA HB1 H 1 1.318 0.020 . 1 . . . . A 15 ALA HB1 . 30782 1 52 . 1 . 1 15 15 ALA HB2 H 1 1.318 0.020 . 1 . . . . A 15 ALA HB2 . 30782 1 53 . 1 . 1 15 15 ALA HB3 H 1 1.318 0.020 . 1 . . . . A 15 ALA HB3 . 30782 1 54 . 1 . 1 15 15 ALA C C 13 177.471 0.400 . 1 . . . . A 15 ALA C . 30782 1 55 . 1 . 1 15 15 ALA CA C 13 52.625 0.400 . 1 . . . . A 15 ALA CA . 30782 1 56 . 1 . 1 15 15 ALA CB C 13 19.342 0.400 . 1 . . . . A 15 ALA CB . 30782 1 57 . 1 . 1 15 15 ALA N N 15 125.863 0.400 . 1 . . . . A 15 ALA N . 30782 1 58 . 1 . 1 16 16 SER H H 1 8.170 0.020 . 1 . . . . A 16 SER H . 30782 1 59 . 1 . 1 16 16 SER HA H 1 4.392 0.020 . 1 . . . . A 16 SER HA . 30782 1 60 . 1 . 1 16 16 SER HB2 H 1 3.788 0.020 . 2 . . . . A 16 SER HB2 . 30782 1 61 . 1 . 1 16 16 SER HB3 H 1 3.778 0.020 . 2 . . . . A 16 SER HB3 . 30782 1 62 . 1 . 1 16 16 SER C C 13 174.076 0.400 . 1 . . . . A 16 SER C . 30782 1 63 . 1 . 1 16 16 SER CA C 13 58.752 0.400 . 1 . . . . A 16 SER CA . 30782 1 64 . 1 . 1 16 16 SER CB C 13 64.004 0.400 . 1 . . . . A 16 SER CB . 30782 1 65 . 1 . 1 16 16 SER N N 15 114.732 0.400 . 1 . . . . A 16 SER N . 30782 1 66 . 1 . 1 17 17 TYR H H 1 8.114 0.020 . 1 . . . . A 17 TYR H . 30782 1 67 . 1 . 1 17 17 TYR HA H 1 4.571 0.020 . 1 . . . . A 17 TYR HA . 30782 1 68 . 1 . 1 17 17 TYR HB2 H 1 3.040 0.020 . 2 . . . . A 17 TYR HB2 . 30782 1 69 . 1 . 1 17 17 TYR HB3 H 1 2.907 0.020 . 2 . . . . A 17 TYR HB3 . 30782 1 70 . 1 . 1 17 17 TYR HD1 H 1 7.070 0.020 . 1 . . . . A 17 TYR HD1 . 30782 1 71 . 1 . 1 17 17 TYR HD2 H 1 7.070 0.020 . 1 . . . . A 17 TYR HD2 . 30782 1 72 . 1 . 1 17 17 TYR HE1 H 1 6.776 0.020 . 1 . . . . A 17 TYR HE1 . 30782 1 73 . 1 . 1 17 17 TYR HE2 H 1 6.776 0.020 . 1 . . . . A 17 TYR HE2 . 30782 1 74 . 1 . 1 17 17 TYR C C 13 175.333 0.400 . 1 . . . . A 17 TYR C . 30782 1 75 . 1 . 1 17 17 TYR CA C 13 57.726 0.400 . 1 . . . . A 17 TYR CA . 30782 1 76 . 1 . 1 17 17 TYR CB C 13 38.833 0.400 . 1 . . . . A 17 TYR CB . 30782 1 77 . 1 . 1 17 17 TYR CD1 C 13 133.304 0.400 . 3 . . . . A 17 TYR CD1 . 30782 1 78 . 1 . 1 17 17 TYR CD2 C 13 133.304 0.400 . 3 . . . . A 17 TYR CD2 . 30782 1 79 . 1 . 1 17 17 TYR CE1 C 13 118.200 0.400 . 3 . . . . A 17 TYR CE1 . 30782 1 80 . 1 . 1 17 17 TYR CE2 C 13 118.200 0.400 . 3 . . . . A 17 TYR CE2 . 30782 1 81 . 1 . 1 17 17 TYR N N 15 121.927 0.400 . 1 . . . . A 17 TYR N . 30782 1 82 . 1 . 1 18 18 ASP H H 1 8.292 0.020 . 1 . . . . A 18 ASP H . 30782 1 83 . 1 . 1 18 18 ASP HA H 1 4.606 0.020 . 1 . . . . A 18 ASP HA . 30782 1 84 . 1 . 1 18 18 ASP HB2 H 1 2.670 0.020 . 2 . . . . A 18 ASP HB2 . 30782 1 85 . 1 . 1 18 18 ASP HB3 H 1 2.553 0.020 . 2 . . . . A 18 ASP HB3 . 30782 1 86 . 1 . 1 18 18 ASP C C 13 176.000 0.400 . 1 . . . . A 18 ASP C . 30782 1 87 . 1 . 1 18 18 ASP CA C 13 54.227 0.400 . 1 . . . . A 18 ASP CA . 30782 1 88 . 1 . 1 18 18 ASP CB C 13 41.370 0.400 . 1 . . . . A 18 ASP CB . 30782 1 89 . 1 . 1 18 18 ASP N N 15 122.271 0.400 . 1 . . . . A 18 ASP N . 30782 1 90 . 1 . 1 19 19 SER H H 1 8.175 0.020 . 1 . . . . A 19 SER H . 30782 1 91 . 1 . 1 19 19 SER HA H 1 4.393 0.020 . 1 . . . . A 19 SER HA . 30782 1 92 . 1 . 1 19 19 SER HB2 H 1 3.899 0.020 . 2 . . . . A 19 SER HB2 . 30782 1 93 . 1 . 1 19 19 SER HB3 H 1 3.824 0.020 . 2 . . . . A 19 SER HB3 . 30782 1 94 . 1 . 1 19 19 SER C C 13 174.674 0.400 . 1 . . . . A 19 SER C . 30782 1 95 . 1 . 1 19 19 SER CA C 13 58.650 0.400 . 1 . . . . A 19 SER CA . 30782 1 96 . 1 . 1 19 19 SER CB C 13 64.060 0.400 . 1 . . . . A 19 SER CB . 30782 1 97 . 1 . 1 19 19 SER N N 15 116.251 0.400 . 1 . . . . A 19 SER N . 30782 1 98 . 1 . 1 20 20 GLU H H 1 8.499 0.020 . 1 . . . . A 20 GLU H . 30782 1 99 . 1 . 1 20 20 GLU C C 13 176.626 0.400 . 1 . . . . A 20 GLU C . 30782 1 100 . 1 . 1 20 20 GLU N N 15 122.592 0.400 . 1 . . . . A 20 GLU N . 30782 1 101 . 1 . 1 21 21 GLU H H 1 8.312 0.020 . 1 . . . . A 21 GLU H . 30782 1 102 . 1 . 1 21 21 GLU C C 13 176.442 0.400 . 1 . . . . A 21 GLU C . 30782 1 103 . 1 . 1 21 21 GLU N N 15 121.158 0.400 . 1 . . . . A 21 GLU N . 30782 1 104 . 1 . 1 22 22 GLU H H 1 8.499 0.020 . 1 . . . . A 22 GLU H . 30782 1 105 . 1 . 1 22 22 GLU HA H 1 4.250 0.020 . 1 . . . . A 22 GLU HA . 30782 1 106 . 1 . 1 22 22 GLU HB2 H 1 1.948 0.020 . 2 . . . . A 22 GLU HB2 . 30782 1 107 . 1 . 1 22 22 GLU HB3 H 1 2.041 0.020 . 2 . . . . A 22 GLU HB3 . 30782 1 108 . 1 . 1 22 22 GLU HG2 H 1 2.260 0.020 . 2 . . . . A 22 GLU HG2 . 30782 1 109 . 1 . 1 22 22 GLU HG3 H 1 2.260 0.020 . 2 . . . . A 22 GLU HG3 . 30782 1 110 . 1 . 1 22 22 GLU C C 13 176.509 0.400 . 1 . . . . A 22 GLU C . 30782 1 111 . 1 . 1 22 22 GLU CA C 13 56.739 0.400 . 1 . . . . A 22 GLU CA . 30782 1 112 . 1 . 1 22 22 GLU CB C 13 30.284 0.400 . 1 . . . . A 22 GLU CB . 30782 1 113 . 1 . 1 22 22 GLU N N 15 122.592 0.400 . 1 . . . . A 22 GLU N . 30782 1 114 . 1 . 1 23 23 GLU H H 1 8.408 0.020 . 1 . . . . A 23 GLU H . 30782 1 115 . 1 . 1 23 23 GLU HA H 1 4.227 0.020 . 1 . . . . A 23 GLU HA . 30782 1 116 . 1 . 1 23 23 GLU HB2 H 1 2.038 0.020 . 2 . . . . A 23 GLU HB2 . 30782 1 117 . 1 . 1 23 23 GLU HB3 H 1 1.932 0.020 . 2 . . . . A 23 GLU HB3 . 30782 1 118 . 1 . 1 23 23 GLU HG2 H 1 2.237 0.020 . 2 . . . . A 23 GLU HG2 . 30782 1 119 . 1 . 1 23 23 GLU HG3 H 1 2.238 0.020 . 2 . . . . A 23 GLU HG3 . 30782 1 120 . 1 . 1 23 23 GLU C C 13 176.540 0.400 . 1 . . . . A 23 GLU C . 30782 1 121 . 1 . 1 23 23 GLU CA C 13 56.773 0.400 . 1 . . . . A 23 GLU CA . 30782 1 122 . 1 . 1 23 23 GLU CB C 13 30.404 0.400 . 1 . . . . A 23 GLU CB . 30782 1 123 . 1 . 1 23 23 GLU CG C 13 36.342 0.400 . 1 . . . . A 23 GLU CG . 30782 1 124 . 1 . 1 23 23 GLU N N 15 122.380 0.400 . 1 . . . . A 23 GLU N . 30782 1 125 . 1 . 1 24 24 GLU H H 1 8.377 0.020 . 1 . . . . A 24 GLU H . 30782 1 126 . 1 . 1 24 24 GLU HA H 1 4.235 0.020 . 1 . . . . A 24 GLU HA . 30782 1 127 . 1 . 1 24 24 GLU HB2 H 1 2.019 0.020 . 2 . . . . A 24 GLU HB2 . 30782 1 128 . 1 . 1 24 24 GLU HB3 H 1 1.919 0.020 . 2 . . . . A 24 GLU HB3 . 30782 1 129 . 1 . 1 24 24 GLU C C 13 176.752 0.400 . 1 . . . . A 24 GLU C . 30782 1 130 . 1 . 1 24 24 GLU CA C 13 56.958 0.400 . 1 . . . . A 24 GLU CA . 30782 1 131 . 1 . 1 24 24 GLU CB C 13 30.442 0.400 . 1 . . . . A 24 GLU CB . 30782 1 132 . 1 . 1 24 24 GLU N N 15 121.995 0.400 . 1 . . . . A 24 GLU N . 30782 1 133 . 1 . 1 25 25 GLY H H 1 8.409 0.020 . 1 . . . . A 25 GLY H . 30782 1 134 . 1 . 1 25 25 GLY HA2 H 1 3.972 0.020 . 2 . . . . A 25 GLY HA2 . 30782 1 135 . 1 . 1 25 25 GLY HA3 H 1 3.590 0.020 . 2 . . . . A 25 GLY HA3 . 30782 1 136 . 1 . 1 25 25 GLY C C 13 173.043 0.400 . 1 . . . . A 25 GLY C . 30782 1 137 . 1 . 1 25 25 GLY CA C 13 45.186 0.400 . 1 . . . . A 25 GLY CA . 30782 1 138 . 1 . 1 25 25 GLY N N 15 109.262 0.400 . 1 . . . . A 25 GLY N . 30782 1 139 . 1 . 1 26 26 LEU H H 1 8.241 0.020 . 1 . . . . A 26 LEU H . 30782 1 140 . 1 . 1 26 26 LEU HA H 1 4.561 0.020 . 1 . . . . A 26 LEU HA . 30782 1 141 . 1 . 1 26 26 LEU HB2 H 1 1.560 0.020 . 2 . . . . A 26 LEU HB2 . 30782 1 142 . 1 . 1 26 26 LEU HB3 H 1 1.570 0.020 . 2 . . . . A 26 LEU HB3 . 30782 1 143 . 1 . 1 26 26 LEU HG H 1 1.665 0.020 . 1 . . . . A 26 LEU HG . 30782 1 144 . 1 . 1 26 26 LEU HD11 H 1 0.892 0.020 . 2 . . . . A 26 LEU HD11 . 30782 1 145 . 1 . 1 26 26 LEU HD12 H 1 0.892 0.020 . 2 . . . . A 26 LEU HD12 . 30782 1 146 . 1 . 1 26 26 LEU HD13 H 1 0.892 0.020 . 2 . . . . A 26 LEU HD13 . 30782 1 147 . 1 . 1 26 26 LEU HD21 H 1 0.931 0.020 . 2 . . . . A 26 LEU HD21 . 30782 1 148 . 1 . 1 26 26 LEU HD22 H 1 0.931 0.020 . 2 . . . . A 26 LEU HD22 . 30782 1 149 . 1 . 1 26 26 LEU HD23 H 1 0.931 0.020 . 2 . . . . A 26 LEU HD23 . 30782 1 150 . 1 . 1 26 26 LEU CA C 13 53.336 0.400 . 1 . . . . A 26 LEU CA . 30782 1 151 . 1 . 1 26 26 LEU CB C 13 41.606 0.400 . 1 . . . . A 26 LEU CB . 30782 1 152 . 1 . 1 26 26 LEU CG C 13 26.768 0.400 . 1 . . . . A 26 LEU CG . 30782 1 153 . 1 . 1 26 26 LEU CD1 C 13 23.720 0.400 . 2 . . . . A 26 LEU CD1 . 30782 1 154 . 1 . 1 26 26 LEU CD2 C 13 24.832 0.400 . 2 . . . . A 26 LEU CD2 . 30782 1 155 . 1 . 1 26 26 LEU N N 15 123.414 0.400 . 1 . . . . A 26 LEU N . 30782 1 156 . 1 . 1 27 27 PRO HA H 1 4.297 0.020 . 1 . . . . A 27 PRO HA . 30782 1 157 . 1 . 1 27 27 PRO HB2 H 1 2.335 0.020 . 2 . . . . A 27 PRO HB2 . 30782 1 158 . 1 . 1 27 27 PRO HB3 H 1 1.803 0.020 . 2 . . . . A 27 PRO HB3 . 30782 1 159 . 1 . 1 27 27 PRO HG2 H 1 2.067 0.020 . 2 . . . . A 27 PRO HG2 . 30782 1 160 . 1 . 1 27 27 PRO HG3 H 1 1.964 0.020 . 2 . . . . A 27 PRO HG3 . 30782 1 161 . 1 . 1 27 27 PRO HD2 H 1 3.989 0.020 . 2 . . . . A 27 PRO HD2 . 30782 1 162 . 1 . 1 27 27 PRO HD3 H 1 3.611 0.020 . 2 . . . . A 27 PRO HD3 . 30782 1 163 . 1 . 1 27 27 PRO C C 13 176.845 0.400 . 1 . . . . A 27 PRO C . 30782 1 164 . 1 . 1 27 27 PRO CA C 13 63.232 0.400 . 1 . . . . A 27 PRO CA . 30782 1 165 . 1 . 1 27 27 PRO CB C 13 32.090 0.400 . 1 . . . . A 27 PRO CB . 30782 1 166 . 1 . 1 27 27 PRO CG C 13 27.770 0.400 . 1 . . . . A 27 PRO CG . 30782 1 167 . 1 . 1 27 27 PRO CD C 13 50.820 0.400 . 1 . . . . A 27 PRO CD . 30782 1 168 . 1 . 1 28 28 MET H H 1 8.607 0.020 . 1 . . . . A 28 MET H . 30782 1 169 . 1 . 1 28 28 MET HA H 1 4.552 0.020 . 1 . . . . A 28 MET HA . 30782 1 170 . 1 . 1 28 28 MET HB2 H 1 2.044 0.020 . 2 . . . . A 28 MET HB2 . 30782 1 171 . 1 . 1 28 28 MET HB3 H 1 1.705 0.020 . 2 . . . . A 28 MET HB3 . 30782 1 172 . 1 . 1 28 28 MET HG2 H 1 2.585 0.020 . 2 . . . . A 28 MET HG2 . 30782 1 173 . 1 . 1 28 28 MET HG3 H 1 2.274 0.020 . 2 . . . . A 28 MET HG3 . 30782 1 174 . 1 . 1 28 28 MET HE1 H 1 1.790 0.020 . 1 . . . . A 28 MET HE1 . 30782 1 175 . 1 . 1 28 28 MET HE2 H 1 1.790 0.020 . 1 . . . . A 28 MET HE2 . 30782 1 176 . 1 . 1 28 28 MET HE3 H 1 1.790 0.020 . 1 . . . . A 28 MET HE3 . 30782 1 177 . 1 . 1 28 28 MET C C 13 176.746 0.400 . 1 . . . . A 28 MET C . 30782 1 178 . 1 . 1 28 28 MET CA C 13 56.076 0.400 . 1 . . . . A 28 MET CA . 30782 1 179 . 1 . 1 28 28 MET CB C 13 35.663 0.400 . 1 . . . . A 28 MET CB . 30782 1 180 . 1 . 1 28 28 MET CG C 13 34.216 0.400 . 1 . . . . A 28 MET CG . 30782 1 181 . 1 . 1 28 28 MET CE C 13 18.750 0.400 . 1 . . . . A 28 MET CE . 30782 1 182 . 1 . 1 28 28 MET N N 15 122.276 0.400 . 1 . . . . A 28 MET N . 30782 1 183 . 1 . 1 29 29 SER H H 1 9.251 0.020 . 1 . . . . A 29 SER H . 30782 1 184 . 1 . 1 29 29 SER HA H 1 4.525 0.020 . 1 . . . . A 29 SER HA . 30782 1 185 . 1 . 1 29 29 SER HB2 H 1 4.475 0.020 . 2 . . . . A 29 SER HB2 . 30782 1 186 . 1 . 1 29 29 SER HB3 H 1 4.049 0.020 . 2 . . . . A 29 SER HB3 . 30782 1 187 . 1 . 1 29 29 SER C C 13 174.984 0.400 . 1 . . . . A 29 SER C . 30782 1 188 . 1 . 1 29 29 SER CA C 13 57.000 0.400 . 1 . . . . A 29 SER CA . 30782 1 189 . 1 . 1 29 29 SER CB C 13 65.816 0.400 . 1 . . . . A 29 SER CB . 30782 1 190 . 1 . 1 29 29 SER N N 15 119.976 0.400 . 1 . . . . A 29 SER N . 30782 1 191 . 1 . 1 30 30 TYR H H 1 9.023 0.020 . 1 . . . . A 30 TYR H . 30782 1 192 . 1 . 1 30 30 TYR HA H 1 4.083 0.020 . 1 . . . . A 30 TYR HA . 30782 1 193 . 1 . 1 30 30 TYR HB2 H 1 3.231 0.020 . 2 . . . . A 30 TYR HB2 . 30782 1 194 . 1 . 1 30 30 TYR HB3 H 1 3.012 0.020 . 2 . . . . A 30 TYR HB3 . 30782 1 195 . 1 . 1 30 30 TYR HD1 H 1 7.197 0.020 . 1 . . . . A 30 TYR HD1 . 30782 1 196 . 1 . 1 30 30 TYR HD2 H 1 7.197 0.020 . 1 . . . . A 30 TYR HD2 . 30782 1 197 . 1 . 1 30 30 TYR HE1 H 1 6.849 0.020 . 1 . . . . A 30 TYR HE1 . 30782 1 198 . 1 . 1 30 30 TYR HE2 H 1 6.849 0.020 . 1 . . . . A 30 TYR HE2 . 30782 1 199 . 1 . 1 30 30 TYR C C 13 178.080 0.400 . 1 . . . . A 30 TYR C . 30782 1 200 . 1 . 1 30 30 TYR CA C 13 62.499 0.400 . 1 . . . . A 30 TYR CA . 30782 1 201 . 1 . 1 30 30 TYR CB C 13 38.035 0.400 . 1 . . . . A 30 TYR CB . 30782 1 202 . 1 . 1 30 30 TYR CD1 C 13 133.500 0.400 . 3 . . . . A 30 TYR CD1 . 30782 1 203 . 1 . 1 30 30 TYR CD2 C 13 133.500 0.400 . 3 . . . . A 30 TYR CD2 . 30782 1 204 . 1 . 1 30 30 TYR CE1 C 13 118.300 0.400 . 3 . . . . A 30 TYR CE1 . 30782 1 205 . 1 . 1 30 30 TYR CE2 C 13 118.300 0.400 . 3 . . . . A 30 TYR CE2 . 30782 1 206 . 1 . 1 30 30 TYR N N 15 121.623 0.400 . 1 . . . . A 30 TYR N . 30782 1 207 . 1 . 1 31 31 ASP H H 1 8.545 0.020 . 1 . . . . A 31 ASP H . 30782 1 208 . 1 . 1 31 31 ASP HA H 1 4.272 0.020 . 1 . . . . A 31 ASP HA . 30782 1 209 . 1 . 1 31 31 ASP HB2 H 1 2.618 0.020 . 2 . . . . A 31 ASP HB2 . 30782 1 210 . 1 . 1 31 31 ASP HB3 H 1 2.579 0.020 . 2 . . . . A 31 ASP HB3 . 30782 1 211 . 1 . 1 31 31 ASP C C 13 179.134 0.400 . 1 . . . . A 31 ASP C . 30782 1 212 . 1 . 1 31 31 ASP CA C 13 57.794 0.400 . 1 . . . . A 31 ASP CA . 30782 1 213 . 1 . 1 31 31 ASP CB C 13 40.728 0.400 . 1 . . . . A 31 ASP CB . 30782 1 214 . 1 . 1 31 31 ASP N N 15 118.378 0.400 . 1 . . . . A 31 ASP N . 30782 1 215 . 1 . 1 32 32 GLU H H 1 7.845 0.020 . 1 . . . . A 32 GLU H . 30782 1 216 . 1 . 1 32 32 GLU HA H 1 3.964 0.020 . 1 . . . . A 32 GLU HA . 30782 1 217 . 1 . 1 32 32 GLU HB2 H 1 1.954 0.020 . 2 . . . . A 32 GLU HB2 . 30782 1 218 . 1 . 1 32 32 GLU HB3 H 1 1.954 0.020 . 2 . . . . A 32 GLU HB3 . 30782 1 219 . 1 . 1 32 32 GLU HG2 H 1 2.447 0.020 . 2 . . . . A 32 GLU HG2 . 30782 1 220 . 1 . 1 32 32 GLU HG3 H 1 2.213 0.020 . 2 . . . . A 32 GLU HG3 . 30782 1 221 . 1 . 1 32 32 GLU C C 13 179.590 0.400 . 1 . . . . A 32 GLU C . 30782 1 222 . 1 . 1 32 32 GLU CA C 13 59.600 0.400 . 1 . . . . A 32 GLU CA . 30782 1 223 . 1 . 1 32 32 GLU CB C 13 30.410 0.400 . 1 . . . . A 32 GLU CB . 30782 1 224 . 1 . 1 32 32 GLU CG C 13 38.000 0.400 . 1 . . . . A 32 GLU CG . 30782 1 225 . 1 . 1 32 32 GLU N N 15 120.856 0.400 . 1 . . . . A 32 GLU N . 30782 1 226 . 1 . 1 33 33 LYS H H 1 8.181 0.020 . 1 . . . . A 33 LYS H . 30782 1 227 . 1 . 1 33 33 LYS HA H 1 3.737 0.020 . 1 . . . . A 33 LYS HA . 30782 1 228 . 1 . 1 33 33 LYS HB2 H 1 1.794 0.020 . 2 . . . . A 33 LYS HB2 . 30782 1 229 . 1 . 1 33 33 LYS HB3 H 1 1.698 0.020 . 2 . . . . A 33 LYS HB3 . 30782 1 230 . 1 . 1 33 33 LYS HG2 H 1 1.480 0.020 . 2 . . . . A 33 LYS HG2 . 30782 1 231 . 1 . 1 33 33 LYS HG3 H 1 1.171 0.020 . 2 . . . . A 33 LYS HG3 . 30782 1 232 . 1 . 1 33 33 LYS HD2 H 1 1.687 0.020 . 2 . . . . A 33 LYS HD2 . 30782 1 233 . 1 . 1 33 33 LYS HD3 H 1 1.535 0.020 . 2 . . . . A 33 LYS HD3 . 30782 1 234 . 1 . 1 33 33 LYS HE2 H 1 2.803 0.020 . 2 . . . . A 33 LYS HE2 . 30782 1 235 . 1 . 1 33 33 LYS HE3 H 1 2.713 0.020 . 2 . . . . A 33 LYS HE3 . 30782 1 236 . 1 . 1 33 33 LYS C C 13 178.254 0.400 . 1 . . . . A 33 LYS C . 30782 1 237 . 1 . 1 33 33 LYS CA C 13 60.345 0.400 . 1 . . . . A 33 LYS CA . 30782 1 238 . 1 . 1 33 33 LYS CB C 13 32.706 0.400 . 1 . . . . A 33 LYS CB . 30782 1 239 . 1 . 1 33 33 LYS CG C 13 27.680 0.400 . 1 . . . . A 33 LYS CG . 30782 1 240 . 1 . 1 33 33 LYS CD C 13 29.860 0.400 . 1 . . . . A 33 LYS CD . 30782 1 241 . 1 . 1 33 33 LYS CE C 13 41.900 0.400 . 1 . . . . A 33 LYS CE . 30782 1 242 . 1 . 1 33 33 LYS N N 15 121.034 0.400 . 1 . . . . A 33 LYS N . 30782 1 243 . 1 . 1 34 34 ARG H H 1 8.121 0.020 . 1 . . . . A 34 ARG H . 30782 1 244 . 1 . 1 34 34 ARG HA H 1 3.805 0.020 . 1 . . . . A 34 ARG HA . 30782 1 245 . 1 . 1 34 34 ARG HB2 H 1 1.794 0.020 . 2 . . . . A 34 ARG HB2 . 30782 1 246 . 1 . 1 34 34 ARG HB3 H 1 1.575 0.020 . 2 . . . . A 34 ARG HB3 . 30782 1 247 . 1 . 1 34 34 ARG HG2 H 1 1.520 0.020 . 2 . . . . A 34 ARG HG2 . 30782 1 248 . 1 . 1 34 34 ARG HG3 H 1 1.390 0.020 . 2 . . . . A 34 ARG HG3 . 30782 1 249 . 1 . 1 34 34 ARG HD2 H 1 3.173 0.020 . 2 . . . . A 34 ARG HD2 . 30782 1 250 . 1 . 1 34 34 ARG HD3 H 1 3.072 0.020 . 2 . . . . A 34 ARG HD3 . 30782 1 251 . 1 . 1 34 34 ARG C C 13 179.007 0.400 . 1 . . . . A 34 ARG C . 30782 1 252 . 1 . 1 34 34 ARG CA C 13 59.145 0.400 . 1 . . . . A 34 ARG CA . 30782 1 253 . 1 . 1 34 34 ARG CB C 13 29.476 0.400 . 1 . . . . A 34 ARG CB . 30782 1 254 . 1 . 1 34 34 ARG CG C 13 26.880 0.400 . 1 . . . . A 34 ARG CG . 30782 1 255 . 1 . 1 34 34 ARG CD C 13 43.119 0.400 . 1 . . . . A 34 ARG CD . 30782 1 256 . 1 . 1 34 34 ARG N N 15 120.284 0.400 . 1 . . . . A 34 ARG N . 30782 1 257 . 1 . 1 35 35 GLN H H 1 7.979 0.020 . 1 . . . . A 35 GLN H . 30782 1 258 . 1 . 1 35 35 GLN HA H 1 3.784 0.020 . 1 . . . . A 35 GLN HA . 30782 1 259 . 1 . 1 35 35 GLN HB2 H 1 2.139 0.020 . 2 . . . . A 35 GLN HB2 . 30782 1 260 . 1 . 1 35 35 GLN HB3 H 1 2.017 0.020 . 2 . . . . A 35 GLN HB3 . 30782 1 261 . 1 . 1 35 35 GLN HG2 H 1 2.380 0.020 . 2 . . . . A 35 GLN HG2 . 30782 1 262 . 1 . 1 35 35 GLN HG3 H 1 2.380 0.020 . 2 . . . . A 35 GLN HG3 . 30782 1 263 . 1 . 1 35 35 GLN HE21 H 1 6.810 0.020 . 2 . . . . A 35 GLN HE21 . 30782 1 264 . 1 . 1 35 35 GLN HE22 H 1 7.903 0.020 . 2 . . . . A 35 GLN HE22 . 30782 1 265 . 1 . 1 35 35 GLN C C 13 176.933 0.400 . 1 . . . . A 35 GLN C . 30782 1 266 . 1 . 1 35 35 GLN CA C 13 58.342 0.400 . 1 . . . . A 35 GLN CA . 30782 1 267 . 1 . 1 35 35 GLN CB C 13 28.401 0.400 . 1 . . . . A 35 GLN CB . 30782 1 268 . 1 . 1 35 35 GLN CG C 13 33.400 0.400 . 1 . . . . A 35 GLN CG . 30782 1 269 . 1 . 1 35 35 GLN N N 15 119.071 0.400 . 1 . . . . A 35 GLN N . 30782 1 270 . 1 . 1 35 35 GLN NE2 N 15 116.600 0.400 . 1 . . . . A 35 GLN NE2 . 30782 1 271 . 1 . 1 36 36 LEU H H 1 7.920 0.020 . 1 . . . . A 36 LEU H . 30782 1 272 . 1 . 1 36 36 LEU HA H 1 4.320 0.020 . 1 . . . . A 36 LEU HA . 30782 1 273 . 1 . 1 36 36 LEU HB2 H 1 1.840 0.020 . 2 . . . . A 36 LEU HB2 . 30782 1 274 . 1 . 1 36 36 LEU HB3 H 1 1.461 0.020 . 2 . . . . A 36 LEU HB3 . 30782 1 275 . 1 . 1 36 36 LEU HG H 1 1.530 0.020 . 1 . . . . A 36 LEU HG . 30782 1 276 . 1 . 1 36 36 LEU HD11 H 1 0.920 0.020 . 2 . . . . A 36 LEU HD11 . 30782 1 277 . 1 . 1 36 36 LEU HD12 H 1 0.920 0.020 . 2 . . . . A 36 LEU HD12 . 30782 1 278 . 1 . 1 36 36 LEU HD13 H 1 0.920 0.020 . 2 . . . . A 36 LEU HD13 . 30782 1 279 . 1 . 1 36 36 LEU HD21 H 1 0.679 0.020 . 2 . . . . A 36 LEU HD21 . 30782 1 280 . 1 . 1 36 36 LEU HD22 H 1 0.679 0.020 . 2 . . . . A 36 LEU HD22 . 30782 1 281 . 1 . 1 36 36 LEU HD23 H 1 0.679 0.020 . 2 . . . . A 36 LEU HD23 . 30782 1 282 . 1 . 1 36 36 LEU C C 13 178.154 0.400 . 1 . . . . A 36 LEU C . 30782 1 283 . 1 . 1 36 36 LEU CA C 13 58.127 0.400 . 1 . . . . A 36 LEU CA . 30782 1 284 . 1 . 1 36 36 LEU CB C 13 41.290 0.400 . 1 . . . . A 36 LEU CB . 30782 1 285 . 1 . 1 36 36 LEU CG C 13 26.880 0.400 . 1 . . . . A 36 LEU CG . 30782 1 286 . 1 . 1 36 36 LEU CD1 C 13 23.237 0.400 . 2 . . . . A 36 LEU CD1 . 30782 1 287 . 1 . 1 36 36 LEU CD2 C 13 26.951 0.400 . 2 . . . . A 36 LEU CD2 . 30782 1 288 . 1 . 1 36 36 LEU N N 15 119.948 0.400 . 1 . . . . A 36 LEU N . 30782 1 289 . 1 . 1 37 37 SER H H 1 7.807 0.020 . 1 . . . . A 37 SER H . 30782 1 290 . 1 . 1 37 37 SER HA H 1 3.949 0.020 . 1 . . . . A 37 SER HA . 30782 1 291 . 1 . 1 37 37 SER HB2 H 1 3.762 0.020 . 2 . . . . A 37 SER HB2 . 30782 1 292 . 1 . 1 37 37 SER HB3 H 1 3.690 0.020 . 2 . . . . A 37 SER HB3 . 30782 1 293 . 1 . 1 37 37 SER C C 13 176.879 0.400 . 1 . . . . A 37 SER C . 30782 1 294 . 1 . 1 37 37 SER CA C 13 61.571 0.400 . 1 . . . . A 37 SER CA . 30782 1 295 . 1 . 1 37 37 SER CB C 13 63.057 0.400 . 1 . . . . A 37 SER CB . 30782 1 296 . 1 . 1 37 37 SER N N 15 112.471 0.400 . 1 . . . . A 37 SER N . 30782 1 297 . 1 . 1 38 38 LEU H H 1 7.682 0.020 . 1 . . . . A 38 LEU H . 30782 1 298 . 1 . 1 38 38 LEU HA H 1 4.006 0.020 . 1 . . . . A 38 LEU HA . 30782 1 299 . 1 . 1 38 38 LEU HB2 H 1 1.876 0.020 . 2 . . . . A 38 LEU HB2 . 30782 1 300 . 1 . 1 38 38 LEU HB3 H 1 1.475 0.020 . 2 . . . . A 38 LEU HB3 . 30782 1 301 . 1 . 1 38 38 LEU HG H 1 1.730 0.020 . 1 . . . . A 38 LEU HG . 30782 1 302 . 1 . 1 38 38 LEU HD11 H 1 0.840 0.020 . 2 . . . . A 38 LEU HD11 . 30782 1 303 . 1 . 1 38 38 LEU HD12 H 1 0.840 0.020 . 2 . . . . A 38 LEU HD12 . 30782 1 304 . 1 . 1 38 38 LEU HD13 H 1 0.840 0.020 . 2 . . . . A 38 LEU HD13 . 30782 1 305 . 1 . 1 38 38 LEU HD21 H 1 0.821 0.020 . 2 . . . . A 38 LEU HD21 . 30782 1 306 . 1 . 1 38 38 LEU HD22 H 1 0.821 0.020 . 2 . . . . A 38 LEU HD22 . 30782 1 307 . 1 . 1 38 38 LEU HD23 H 1 0.821 0.020 . 2 . . . . A 38 LEU HD23 . 30782 1 308 . 1 . 1 38 38 LEU C C 13 179.946 0.400 . 1 . . . . A 38 LEU C . 30782 1 309 . 1 . 1 38 38 LEU CA C 13 57.999 0.400 . 1 . . . . A 38 LEU CA . 30782 1 310 . 1 . 1 38 38 LEU CB C 13 41.780 0.400 . 1 . . . . A 38 LEU CB . 30782 1 311 . 1 . 1 38 38 LEU CG C 13 26.620 0.400 . 1 . . . . A 38 LEU CG . 30782 1 312 . 1 . 1 38 38 LEU CD1 C 13 23.140 0.400 . 2 . . . . A 38 LEU CD1 . 30782 1 313 . 1 . 1 38 38 LEU CD2 C 13 25.510 0.400 . 2 . . . . A 38 LEU CD2 . 30782 1 314 . 1 . 1 38 38 LEU N N 15 121.446 0.400 . 1 . . . . A 38 LEU N . 30782 1 315 . 1 . 1 39 39 ASP H H 1 8.620 0.020 . 1 . . . . A 39 ASP H . 30782 1 316 . 1 . 1 39 39 ASP HA H 1 4.336 0.020 . 1 . . . . A 39 ASP HA . 30782 1 317 . 1 . 1 39 39 ASP HB2 H 1 2.795 0.020 . 2 . . . . A 39 ASP HB2 . 30782 1 318 . 1 . 1 39 39 ASP HB3 H 1 2.382 0.020 . 2 . . . . A 39 ASP HB3 . 30782 1 319 . 1 . 1 39 39 ASP C C 13 179.525 0.400 . 1 . . . . A 39 ASP C . 30782 1 320 . 1 . 1 39 39 ASP CA C 13 58.051 0.400 . 1 . . . . A 39 ASP CA . 30782 1 321 . 1 . 1 39 39 ASP CB C 13 40.544 0.400 . 1 . . . . A 39 ASP CB . 30782 1 322 . 1 . 1 39 39 ASP N N 15 120.976 0.400 . 1 . . . . A 39 ASP N . 30782 1 323 . 1 . 1 40 40 ILE H H 1 8.698 0.020 . 1 . . . . A 40 ILE H . 30782 1 324 . 1 . 1 40 40 ILE HA H 1 3.647 0.020 . 1 . . . . A 40 ILE HA . 30782 1 325 . 1 . 1 40 40 ILE HB H 1 2.017 0.020 . 1 . . . . A 40 ILE HB . 30782 1 326 . 1 . 1 40 40 ILE HG12 H 1 2.002 0.020 . 2 . . . . A 40 ILE HG12 . 30782 1 327 . 1 . 1 40 40 ILE HG13 H 1 1.043 0.020 . 2 . . . . A 40 ILE HG13 . 30782 1 328 . 1 . 1 40 40 ILE HG21 H 1 0.963 0.020 . 1 . . . . A 40 ILE HG21 . 30782 1 329 . 1 . 1 40 40 ILE HG22 H 1 0.963 0.020 . 1 . . . . A 40 ILE HG22 . 30782 1 330 . 1 . 1 40 40 ILE HG23 H 1 0.963 0.020 . 1 . . . . A 40 ILE HG23 . 30782 1 331 . 1 . 1 40 40 ILE HD11 H 1 0.980 0.020 . 1 . . . . A 40 ILE HD11 . 30782 1 332 . 1 . 1 40 40 ILE HD12 H 1 0.980 0.020 . 1 . . . . A 40 ILE HD12 . 30782 1 333 . 1 . 1 40 40 ILE HD13 H 1 0.980 0.020 . 1 . . . . A 40 ILE HD13 . 30782 1 334 . 1 . 1 40 40 ILE C C 13 178.172 0.400 . 1 . . . . A 40 ILE C . 30782 1 335 . 1 . 1 40 40 ILE CA C 13 65.408 0.400 . 1 . . . . A 40 ILE CA . 30782 1 336 . 1 . 1 40 40 ILE CB C 13 37.777 0.400 . 1 . . . . A 40 ILE CB . 30782 1 337 . 1 . 1 40 40 ILE CG1 C 13 31.580 0.400 . 1 . . . . A 40 ILE CG1 . 30782 1 338 . 1 . 1 40 40 ILE CG2 C 13 17.257 0.400 . 1 . . . . A 40 ILE CG2 . 30782 1 339 . 1 . 1 40 40 ILE CD1 C 13 14.068 0.400 . 1 . . . . A 40 ILE CD1 . 30782 1 340 . 1 . 1 40 40 ILE N N 15 120.422 0.400 . 1 . . . . A 40 ILE N . 30782 1 341 . 1 . 1 41 41 ASN H H 1 7.562 0.020 . 1 . . . . A 41 ASN H . 30782 1 342 . 1 . 1 41 41 ASN HA H 1 4.617 0.020 . 1 . . . . A 41 ASN HA . 30782 1 343 . 1 . 1 41 41 ASN HB2 H 1 2.958 0.020 . 2 . . . . A 41 ASN HB2 . 30782 1 344 . 1 . 1 41 41 ASN HB3 H 1 2.921 0.020 . 2 . . . . A 41 ASN HB3 . 30782 1 345 . 1 . 1 41 41 ASN HD21 H 1 6.946 0.020 . 2 . . . . A 41 ASN HD21 . 30782 1 346 . 1 . 1 41 41 ASN HD22 H 1 7.573 0.020 . 2 . . . . A 41 ASN HD22 . 30782 1 347 . 1 . 1 41 41 ASN C C 13 175.886 0.400 . 1 . . . . A 41 ASN C . 30782 1 348 . 1 . 1 41 41 ASN CA C 13 55.314 0.400 . 1 . . . . A 41 ASN CA . 30782 1 349 . 1 . 1 41 41 ASN CB C 13 38.736 0.400 . 1 . . . . A 41 ASN CB . 30782 1 350 . 1 . 1 41 41 ASN N N 15 115.936 0.400 . 1 . . . . A 41 ASN N . 30782 1 351 . 1 . 1 41 41 ASN ND2 N 15 112.100 0.400 . 1 . . . . A 41 ASN ND2 . 30782 1 352 . 1 . 1 42 42 ARG H H 1 7.603 0.020 . 1 . . . . A 42 ARG H . 30782 1 353 . 1 . 1 42 42 ARG HA H 1 4.458 0.020 . 1 . . . . A 42 ARG HA . 30782 1 354 . 1 . 1 42 42 ARG HB2 H 1 1.993 0.020 . 2 . . . . A 42 ARG HB2 . 30782 1 355 . 1 . 1 42 42 ARG HB3 H 1 1.993 0.020 . 2 . . . . A 42 ARG HB3 . 30782 1 356 . 1 . 1 42 42 ARG HD2 H 1 3.189 0.020 . 2 . . . . A 42 ARG HD2 . 30782 1 357 . 1 . 1 42 42 ARG HD3 H 1 3.189 0.020 . 2 . . . . A 42 ARG HD3 . 30782 1 358 . 1 . 1 42 42 ARG C C 13 176.612 0.400 . 1 . . . . A 42 ARG C . 30782 1 359 . 1 . 1 42 42 ARG CA C 13 56.106 0.400 . 1 . . . . A 42 ARG CA . 30782 1 360 . 1 . 1 42 42 ARG CB C 13 31.118 0.400 . 1 . . . . A 42 ARG CB . 30782 1 361 . 1 . 1 42 42 ARG CD C 13 43.943 0.400 . 1 . . . . A 42 ARG CD . 30782 1 362 . 1 . 1 42 42 ARG N N 15 117.229 0.400 . 1 . . . . A 42 ARG N . 30782 1 363 . 1 . 1 43 43 LEU H H 1 7.515 0.020 . 1 . . . . A 43 LEU H . 30782 1 364 . 1 . 1 43 43 LEU HA H 1 4.353 0.020 . 1 . . . . A 43 LEU HA . 30782 1 365 . 1 . 1 43 43 LEU HB2 H 1 2.002 0.020 . 2 . . . . A 43 LEU HB2 . 30782 1 366 . 1 . 1 43 43 LEU HB3 H 1 1.355 0.020 . 2 . . . . A 43 LEU HB3 . 30782 1 367 . 1 . 1 43 43 LEU HG H 1 2.222 0.020 . 1 . . . . A 43 LEU HG . 30782 1 368 . 1 . 1 43 43 LEU HD11 H 1 0.830 0.020 . 2 . . . . A 43 LEU HD11 . 30782 1 369 . 1 . 1 43 43 LEU HD12 H 1 0.830 0.020 . 2 . . . . A 43 LEU HD12 . 30782 1 370 . 1 . 1 43 43 LEU HD13 H 1 0.830 0.020 . 2 . . . . A 43 LEU HD13 . 30782 1 371 . 1 . 1 43 43 LEU HD21 H 1 1.000 0.020 . 2 . . . . A 43 LEU HD21 . 30782 1 372 . 1 . 1 43 43 LEU HD22 H 1 1.000 0.020 . 2 . . . . A 43 LEU HD22 . 30782 1 373 . 1 . 1 43 43 LEU HD23 H 1 1.000 0.020 . 2 . . . . A 43 LEU HD23 . 30782 1 374 . 1 . 1 43 43 LEU CA C 13 53.570 0.400 . 1 . . . . A 43 LEU CA . 30782 1 375 . 1 . 1 43 43 LEU CB C 13 41.530 0.400 . 1 . . . . A 43 LEU CB . 30782 1 376 . 1 . 1 43 43 LEU CG C 13 26.280 0.400 . 1 . . . . A 43 LEU CG . 30782 1 377 . 1 . 1 43 43 LEU CD1 C 13 23.400 0.400 . 2 . . . . A 43 LEU CD1 . 30782 1 378 . 1 . 1 43 43 LEU CD2 C 13 26.830 0.400 . 2 . . . . A 43 LEU CD2 . 30782 1 379 . 1 . 1 43 43 LEU N N 15 121.817 0.400 . 1 . . . . A 43 LEU N . 30782 1 380 . 1 . 1 44 44 PRO HA H 1 4.619 0.020 . 1 . . . . A 44 PRO HA . 30782 1 381 . 1 . 1 44 44 PRO HB2 H 1 2.515 0.020 . 2 . . . . A 44 PRO HB2 . 30782 1 382 . 1 . 1 44 44 PRO HB3 H 1 2.051 0.020 . 2 . . . . A 44 PRO HB3 . 30782 1 383 . 1 . 1 44 44 PRO HG2 H 1 2.188 0.020 . 2 . . . . A 44 PRO HG2 . 30782 1 384 . 1 . 1 44 44 PRO HG3 H 1 2.042 0.020 . 2 . . . . A 44 PRO HG3 . 30782 1 385 . 1 . 1 44 44 PRO HD2 H 1 3.956 0.020 . 2 . . . . A 44 PRO HD2 . 30782 1 386 . 1 . 1 44 44 PRO HD3 H 1 3.389 0.020 . 2 . . . . A 44 PRO HD3 . 30782 1 387 . 1 . 1 44 44 PRO C C 13 178.387 0.400 . 1 . . . . A 44 PRO C . 30782 1 388 . 1 . 1 44 44 PRO CA C 13 62.365 0.400 . 1 . . . . A 44 PRO CA . 30782 1 389 . 1 . 1 44 44 PRO CB C 13 32.572 0.400 . 1 . . . . A 44 PRO CB . 30782 1 390 . 1 . 1 44 44 PRO CG C 13 27.920 0.400 . 1 . . . . A 44 PRO CG . 30782 1 391 . 1 . 1 44 44 PRO CD C 13 50.340 0.400 . 1 . . . . A 44 PRO CD . 30782 1 392 . 1 . 1 45 45 GLY H H 1 8.955 0.020 . 1 . . . . A 45 GLY H . 30782 1 393 . 1 . 1 45 45 GLY HA2 H 1 3.771 0.020 . 2 . . . . A 45 GLY HA2 . 30782 1 394 . 1 . 1 45 45 GLY HA3 H 1 4.070 0.020 . 2 . . . . A 45 GLY HA3 . 30782 1 395 . 1 . 1 45 45 GLY C C 13 176.835 0.400 . 1 . . . . A 45 GLY C . 30782 1 396 . 1 . 1 45 45 GLY CA C 13 48.156 0.400 . 1 . . . . A 45 GLY CA . 30782 1 397 . 1 . 1 45 45 GLY N N 15 110.506 0.400 . 1 . . . . A 45 GLY N . 30782 1 398 . 1 . 1 46 46 GLU H H 1 9.471 0.020 . 1 . . . . A 46 GLU H . 30782 1 399 . 1 . 1 46 46 GLU HA H 1 4.300 0.020 . 1 . . . . A 46 GLU HA . 30782 1 400 . 1 . 1 46 46 GLU HB2 H 1 2.130 0.020 . 2 . . . . A 46 GLU HB2 . 30782 1 401 . 1 . 1 46 46 GLU HB3 H 1 2.130 0.020 . 2 . . . . A 46 GLU HB3 . 30782 1 402 . 1 . 1 46 46 GLU HG2 H 1 2.288 0.020 . 2 . . . . A 46 GLU HG2 . 30782 1 403 . 1 . 1 46 46 GLU HG3 H 1 2.288 0.020 . 2 . . . . A 46 GLU HG3 . 30782 1 404 . 1 . 1 46 46 GLU C C 13 178.314 0.400 . 1 . . . . A 46 GLU C . 30782 1 405 . 1 . 1 46 46 GLU CA C 13 59.000 0.400 . 1 . . . . A 46 GLU CA . 30782 1 406 . 1 . 1 46 46 GLU CB C 13 28.755 0.400 . 1 . . . . A 46 GLU CB . 30782 1 407 . 1 . 1 46 46 GLU CG C 13 36.330 0.400 . 1 . . . . A 46 GLU CG . 30782 1 408 . 1 . 1 46 46 GLU N N 15 119.909 0.400 . 1 . . . . A 46 GLU N . 30782 1 409 . 1 . 1 47 47 LYS H H 1 7.831 0.020 . 1 . . . . A 47 LYS H . 30782 1 410 . 1 . 1 47 47 LYS HA H 1 4.593 0.020 . 1 . . . . A 47 LYS HA . 30782 1 411 . 1 . 1 47 47 LYS HB2 H 1 2.390 0.020 . 2 . . . . A 47 LYS HB2 . 30782 1 412 . 1 . 1 47 47 LYS HB3 H 1 1.970 0.020 . 2 . . . . A 47 LYS HB3 . 30782 1 413 . 1 . 1 47 47 LYS HG2 H 1 1.555 0.020 . 2 . . . . A 47 LYS HG2 . 30782 1 414 . 1 . 1 47 47 LYS HG3 H 1 1.521 0.020 . 2 . . . . A 47 LYS HG3 . 30782 1 415 . 1 . 1 47 47 LYS HD2 H 1 1.777 0.020 . 2 . . . . A 47 LYS HD2 . 30782 1 416 . 1 . 1 47 47 LYS HD3 H 1 1.777 0.020 . 2 . . . . A 47 LYS HD3 . 30782 1 417 . 1 . 1 47 47 LYS HE2 H 1 3.022 0.020 . 2 . . . . A 47 LYS HE2 . 30782 1 418 . 1 . 1 47 47 LYS HE3 H 1 3.022 0.020 . 2 . . . . A 47 LYS HE3 . 30782 1 419 . 1 . 1 47 47 LYS C C 13 178.615 0.400 . 1 . . . . A 47 LYS C . 30782 1 420 . 1 . 1 47 47 LYS CA C 13 55.885 0.400 . 1 . . . . A 47 LYS CA . 30782 1 421 . 1 . 1 47 47 LYS CB C 13 32.831 0.400 . 1 . . . . A 47 LYS CB . 30782 1 422 . 1 . 1 47 47 LYS CG C 13 25.730 0.400 . 1 . . . . A 47 LYS CG . 30782 1 423 . 1 . 1 47 47 LYS CD C 13 28.190 0.400 . 1 . . . . A 47 LYS CD . 30782 1 424 . 1 . 1 47 47 LYS CE C 13 42.410 0.400 . 1 . . . . A 47 LYS CE . 30782 1 425 . 1 . 1 47 47 LYS N N 15 116.935 0.400 . 1 . . . . A 47 LYS N . 30782 1 426 . 1 . 1 48 48 LEU H H 1 7.924 0.020 . 1 . . . . A 48 LEU H . 30782 1 427 . 1 . 1 48 48 LEU HA H 1 4.158 0.020 . 1 . . . . A 48 LEU HA . 30782 1 428 . 1 . 1 48 48 LEU HB2 H 1 1.749 0.020 . 2 . . . . A 48 LEU HB2 . 30782 1 429 . 1 . 1 48 48 LEU HB3 H 1 1.751 0.020 . 2 . . . . A 48 LEU HB3 . 30782 1 430 . 1 . 1 48 48 LEU HG H 1 1.700 0.020 . 1 . . . . A 48 LEU HG . 30782 1 431 . 1 . 1 48 48 LEU HD11 H 1 0.950 0.020 . 2 . . . . A 48 LEU HD11 . 30782 1 432 . 1 . 1 48 48 LEU HD12 H 1 0.950 0.020 . 2 . . . . A 48 LEU HD12 . 30782 1 433 . 1 . 1 48 48 LEU HD13 H 1 0.950 0.020 . 2 . . . . A 48 LEU HD13 . 30782 1 434 . 1 . 1 48 48 LEU HD21 H 1 0.960 0.020 . 2 . . . . A 48 LEU HD21 . 30782 1 435 . 1 . 1 48 48 LEU HD22 H 1 0.960 0.020 . 2 . . . . A 48 LEU HD22 . 30782 1 436 . 1 . 1 48 48 LEU HD23 H 1 0.960 0.020 . 2 . . . . A 48 LEU HD23 . 30782 1 437 . 1 . 1 48 48 LEU C C 13 179.041 0.400 . 1 . . . . A 48 LEU C . 30782 1 438 . 1 . 1 48 48 LEU CA C 13 57.858 0.400 . 1 . . . . A 48 LEU CA . 30782 1 439 . 1 . 1 48 48 LEU CB C 13 41.705 0.400 . 1 . . . . A 48 LEU CB . 30782 1 440 . 1 . 1 48 48 LEU CG C 13 26.900 0.400 . 1 . . . . A 48 LEU CG . 30782 1 441 . 1 . 1 48 48 LEU CD1 C 13 24.800 0.400 . 2 . . . . A 48 LEU CD1 . 30782 1 442 . 1 . 1 48 48 LEU CD2 C 13 24.000 0.400 . 2 . . . . A 48 LEU CD2 . 30782 1 443 . 1 . 1 48 48 LEU N N 15 122.127 0.400 . 1 . . . . A 48 LEU N . 30782 1 444 . 1 . 1 49 49 GLY H H 1 8.319 0.020 . 1 . . . . A 49 GLY H . 30782 1 445 . 1 . 1 49 49 GLY HA2 H 1 3.919 0.020 . 2 . . . . A 49 GLY HA2 . 30782 1 446 . 1 . 1 49 49 GLY HA3 H 1 3.770 0.020 . 2 . . . . A 49 GLY HA3 . 30782 1 447 . 1 . 1 49 49 GLY C C 13 176.529 0.400 . 1 . . . . A 49 GLY C . 30782 1 448 . 1 . 1 49 49 GLY CA C 13 47.258 0.400 . 1 . . . . A 49 GLY CA . 30782 1 449 . 1 . 1 49 49 GLY N N 15 106.664 0.400 . 1 . . . . A 49 GLY N . 30782 1 450 . 1 . 1 50 50 ARG H H 1 7.516 0.020 . 1 . . . . A 50 ARG H . 30782 1 451 . 1 . 1 50 50 ARG HA H 1 4.100 0.020 . 1 . . . . A 50 ARG HA . 30782 1 452 . 1 . 1 50 50 ARG HB2 H 1 1.827 0.020 . 2 . . . . A 50 ARG HB2 . 30782 1 453 . 1 . 1 50 50 ARG HB3 H 1 1.648 0.020 . 2 . . . . A 50 ARG HB3 . 30782 1 454 . 1 . 1 50 50 ARG HG2 H 1 1.380 0.020 . 2 . . . . A 50 ARG HG2 . 30782 1 455 . 1 . 1 50 50 ARG HG3 H 1 1.330 0.020 . 2 . . . . A 50 ARG HG3 . 30782 1 456 . 1 . 1 50 50 ARG HD2 H 1 3.120 0.020 . 2 . . . . A 50 ARG HD2 . 30782 1 457 . 1 . 1 50 50 ARG HD3 H 1 3.020 0.020 . 2 . . . . A 50 ARG HD3 . 30782 1 458 . 1 . 1 50 50 ARG C C 13 177.924 0.400 . 1 . . . . A 50 ARG C . 30782 1 459 . 1 . 1 50 50 ARG CA C 13 57.649 0.400 . 1 . . . . A 50 ARG CA . 30782 1 460 . 1 . 1 50 50 ARG CB C 13 28.946 0.400 . 1 . . . . A 50 ARG CB . 30782 1 461 . 1 . 1 50 50 ARG CG C 13 26.330 0.400 . 1 . . . . A 50 ARG CG . 30782 1 462 . 1 . 1 50 50 ARG CD C 13 42.700 0.400 . 1 . . . . A 50 ARG CD . 30782 1 463 . 1 . 1 50 50 ARG N N 15 120.553 0.400 . 1 . . . . A 50 ARG N . 30782 1 464 . 1 . 1 51 51 VAL H H 1 7.497 0.020 . 1 . . . . A 51 VAL H . 30782 1 465 . 1 . 1 51 51 VAL HA H 1 3.343 0.020 . 1 . . . . A 51 VAL HA . 30782 1 466 . 1 . 1 51 51 VAL HB H 1 2.671 0.020 . 1 . . . . A 51 VAL HB . 30782 1 467 . 1 . 1 51 51 VAL HG11 H 1 0.956 0.020 . 2 . . . . A 51 VAL HG11 . 30782 1 468 . 1 . 1 51 51 VAL HG12 H 1 0.956 0.020 . 2 . . . . A 51 VAL HG12 . 30782 1 469 . 1 . 1 51 51 VAL HG13 H 1 0.956 0.020 . 2 . . . . A 51 VAL HG13 . 30782 1 470 . 1 . 1 51 51 VAL HG21 H 1 1.183 0.020 . 2 . . . . A 51 VAL HG21 . 30782 1 471 . 1 . 1 51 51 VAL HG22 H 1 1.183 0.020 . 2 . . . . A 51 VAL HG22 . 30782 1 472 . 1 . 1 51 51 VAL HG23 H 1 1.183 0.020 . 2 . . . . A 51 VAL HG23 . 30782 1 473 . 1 . 1 51 51 VAL C C 13 177.095 0.400 . 1 . . . . A 51 VAL C . 30782 1 474 . 1 . 1 51 51 VAL CA C 13 66.984 0.400 . 1 . . . . A 51 VAL CA . 30782 1 475 . 1 . 1 51 51 VAL CB C 13 30.905 0.400 . 1 . . . . A 51 VAL CB . 30782 1 476 . 1 . 1 51 51 VAL CG1 C 13 20.868 0.400 . 2 . . . . A 51 VAL CG1 . 30782 1 477 . 1 . 1 51 51 VAL CG2 C 13 23.344 0.400 . 2 . . . . A 51 VAL CG2 . 30782 1 478 . 1 . 1 51 51 VAL N N 15 119.655 0.400 . 1 . . . . A 51 VAL N . 30782 1 479 . 1 . 1 52 52 VAL H H 1 7.593 0.020 . 1 . . . . A 52 VAL H . 30782 1 480 . 1 . 1 52 52 VAL HA H 1 3.450 0.020 . 1 . . . . A 52 VAL HA . 30782 1 481 . 1 . 1 52 52 VAL HB H 1 2.121 0.020 . 1 . . . . A 52 VAL HB . 30782 1 482 . 1 . 1 52 52 VAL HG11 H 1 0.918 0.020 . 2 . . . . A 52 VAL HG11 . 30782 1 483 . 1 . 1 52 52 VAL HG12 H 1 0.918 0.020 . 2 . . . . A 52 VAL HG12 . 30782 1 484 . 1 . 1 52 52 VAL HG13 H 1 0.918 0.020 . 2 . . . . A 52 VAL HG13 . 30782 1 485 . 1 . 1 52 52 VAL HG21 H 1 0.990 0.020 . 2 . . . . A 52 VAL HG21 . 30782 1 486 . 1 . 1 52 52 VAL HG22 H 1 0.990 0.020 . 2 . . . . A 52 VAL HG22 . 30782 1 487 . 1 . 1 52 52 VAL HG23 H 1 0.990 0.020 . 2 . . . . A 52 VAL HG23 . 30782 1 488 . 1 . 1 52 52 VAL C C 13 177.050 0.400 . 1 . . . . A 52 VAL C . 30782 1 489 . 1 . 1 52 52 VAL CA C 13 66.850 0.400 . 1 . . . . A 52 VAL CA . 30782 1 490 . 1 . 1 52 52 VAL CB C 13 31.262 0.400 . 1 . . . . A 52 VAL CB . 30782 1 491 . 1 . 1 52 52 VAL CG1 C 13 21.660 0.400 . 2 . . . . A 52 VAL CG1 . 30782 1 492 . 1 . 1 52 52 VAL CG2 C 13 22.780 0.400 . 2 . . . . A 52 VAL CG2 . 30782 1 493 . 1 . 1 52 52 VAL N N 15 117.204 0.400 . 1 . . . . A 52 VAL N . 30782 1 494 . 1 . 1 53 53 HIS H H 1 7.686 0.020 . 1 . . . . A 53 HIS H . 30782 1 495 . 1 . 1 53 53 HIS HA H 1 4.372 0.020 . 1 . . . . A 53 HIS HA . 30782 1 496 . 1 . 1 53 53 HIS HB2 H 1 3.179 0.020 . 2 . . . . A 53 HIS HB2 . 30782 1 497 . 1 . 1 53 53 HIS HB3 H 1 3.179 0.020 . 2 . . . . A 53 HIS HB3 . 30782 1 498 . 1 . 1 53 53 HIS C C 13 178.836 0.400 . 1 . . . . A 53 HIS C . 30782 1 499 . 1 . 1 53 53 HIS CA C 13 59.887 0.400 . 1 . . . . A 53 HIS CA . 30782 1 500 . 1 . 1 53 53 HIS CB C 13 30.608 0.400 . 1 . . . . A 53 HIS CB . 30782 1 501 . 1 . 1 53 53 HIS N N 15 119.519 0.400 . 1 . . . . A 53 HIS N . 30782 1 502 . 1 . 1 54 54 ILE H H 1 8.442 0.020 . 1 . . . . A 54 ILE H . 30782 1 503 . 1 . 1 54 54 ILE HA H 1 3.446 0.020 . 1 . . . . A 54 ILE HA . 30782 1 504 . 1 . 1 54 54 ILE HB H 1 1.902 0.020 . 1 . . . . A 54 ILE HB . 30782 1 505 . 1 . 1 54 54 ILE HG12 H 1 0.937 0.020 . 2 . . . . A 54 ILE HG12 . 30782 1 506 . 1 . 1 54 54 ILE HG13 H 1 1.709 0.020 . 2 . . . . A 54 ILE HG13 . 30782 1 507 . 1 . 1 54 54 ILE HG21 H 1 0.736 0.020 . 1 . . . . A 54 ILE HG21 . 30782 1 508 . 1 . 1 54 54 ILE HG22 H 1 0.736 0.020 . 1 . . . . A 54 ILE HG22 . 30782 1 509 . 1 . 1 54 54 ILE HG23 H 1 0.736 0.020 . 1 . . . . A 54 ILE HG23 . 30782 1 510 . 1 . 1 54 54 ILE HD11 H 1 0.479 0.020 . 1 . . . . A 54 ILE HD11 . 30782 1 511 . 1 . 1 54 54 ILE HD12 H 1 0.479 0.020 . 1 . . . . A 54 ILE HD12 . 30782 1 512 . 1 . 1 54 54 ILE HD13 H 1 0.479 0.020 . 1 . . . . A 54 ILE HD13 . 30782 1 513 . 1 . 1 54 54 ILE C C 13 178.129 0.400 . 1 . . . . A 54 ILE C . 30782 1 514 . 1 . 1 54 54 ILE CA C 13 66.005 0.400 . 1 . . . . A 54 ILE CA . 30782 1 515 . 1 . 1 54 54 ILE CB C 13 38.027 0.400 . 1 . . . . A 54 ILE CB . 30782 1 516 . 1 . 1 54 54 ILE CG1 C 13 29.350 0.400 . 1 . . . . A 54 ILE CG1 . 30782 1 517 . 1 . 1 54 54 ILE CG2 C 13 16.950 0.400 . 1 . . . . A 54 ILE CG2 . 30782 1 518 . 1 . 1 54 54 ILE CD1 C 13 14.160 0.400 . 1 . . . . A 54 ILE CD1 . 30782 1 519 . 1 . 1 54 54 ILE N N 15 122.135 0.400 . 1 . . . . A 54 ILE N . 30782 1 520 . 1 . 1 55 55 ILE H H 1 7.707 0.020 . 1 . . . . A 55 ILE H . 30782 1 521 . 1 . 1 55 55 ILE HA H 1 3.395 0.020 . 1 . . . . A 55 ILE HA . 30782 1 522 . 1 . 1 55 55 ILE HB H 1 1.902 0.020 . 1 . . . . A 55 ILE HB . 30782 1 523 . 1 . 1 55 55 ILE HG12 H 1 0.779 0.020 . 2 . . . . A 55 ILE HG12 . 30782 1 524 . 1 . 1 55 55 ILE HG13 H 1 1.888 0.020 . 2 . . . . A 55 ILE HG13 . 30782 1 525 . 1 . 1 55 55 ILE HG21 H 1 0.794 0.020 . 1 . . . . A 55 ILE HG21 . 30782 1 526 . 1 . 1 55 55 ILE HG22 H 1 0.794 0.020 . 1 . . . . A 55 ILE HG22 . 30782 1 527 . 1 . 1 55 55 ILE HG23 H 1 0.794 0.020 . 1 . . . . A 55 ILE HG23 . 30782 1 528 . 1 . 1 55 55 ILE HD11 H 1 0.761 0.020 . 1 . . . . A 55 ILE HD11 . 30782 1 529 . 1 . 1 55 55 ILE HD12 H 1 0.761 0.020 . 1 . . . . A 55 ILE HD12 . 30782 1 530 . 1 . 1 55 55 ILE HD13 H 1 0.761 0.020 . 1 . . . . A 55 ILE HD13 . 30782 1 531 . 1 . 1 55 55 ILE C C 13 177.266 0.400 . 1 . . . . A 55 ILE C . 30782 1 532 . 1 . 1 55 55 ILE CA C 13 66.600 0.400 . 1 . . . . A 55 ILE CA . 30782 1 533 . 1 . 1 55 55 ILE CB C 13 38.008 0.400 . 1 . . . . A 55 ILE CB . 30782 1 534 . 1 . 1 55 55 ILE CG1 C 13 29.770 0.400 . 1 . . . . A 55 ILE CG1 . 30782 1 535 . 1 . 1 55 55 ILE CG2 C 13 18.060 0.400 . 1 . . . . A 55 ILE CG2 . 30782 1 536 . 1 . 1 55 55 ILE CD1 C 13 14.550 0.400 . 1 . . . . A 55 ILE CD1 . 30782 1 537 . 1 . 1 55 55 ILE N N 15 117.990 0.400 . 1 . . . . A 55 ILE N . 30782 1 538 . 1 . 1 56 56 GLN H H 1 8.743 0.020 . 1 . . . . A 56 GLN H . 30782 1 539 . 1 . 1 56 56 GLN HA H 1 3.707 0.020 . 1 . . . . A 56 GLN HA . 30782 1 540 . 1 . 1 56 56 GLN HB2 H 1 2.095 0.020 . 2 . . . . A 56 GLN HB2 . 30782 1 541 . 1 . 1 56 56 GLN HB3 H 1 1.914 0.020 . 2 . . . . A 56 GLN HB3 . 30782 1 542 . 1 . 1 56 56 GLN HG2 H 1 2.507 0.020 . 2 . . . . A 56 GLN HG2 . 30782 1 543 . 1 . 1 56 56 GLN HG3 H 1 2.056 0.020 . 2 . . . . A 56 GLN HG3 . 30782 1 544 . 1 . 1 56 56 GLN HE21 H 1 6.459 0.020 . 2 . . . . A 56 GLN HE21 . 30782 1 545 . 1 . 1 56 56 GLN HE22 H 1 7.275 0.020 . 2 . . . . A 56 GLN HE22 . 30782 1 546 . 1 . 1 56 56 GLN C C 13 177.270 0.400 . 1 . . . . A 56 GLN C . 30782 1 547 . 1 . 1 56 56 GLN CA C 13 60.049 0.400 . 1 . . . . A 56 GLN CA . 30782 1 548 . 1 . 1 56 56 GLN CB C 13 28.960 0.400 . 1 . . . . A 56 GLN CB . 30782 1 549 . 1 . 1 56 56 GLN CG C 13 35.587 0.400 . 1 . . . . A 56 GLN CG . 30782 1 550 . 1 . 1 56 56 GLN N N 15 116.176 0.400 . 1 . . . . A 56 GLN N . 30782 1 551 . 1 . 1 56 56 GLN NE2 N 15 111.600 0.400 . 1 . . . . A 56 GLN NE2 . 30782 1 552 . 1 . 1 57 57 SER H H 1 8.000 0.020 . 1 . . . . A 57 SER H . 30782 1 553 . 1 . 1 57 57 SER HA H 1 4.113 0.020 . 1 . . . . A 57 SER HA . 30782 1 554 . 1 . 1 57 57 SER HB2 H 1 3.863 0.020 . 2 . . . . A 57 SER HB2 . 30782 1 555 . 1 . 1 57 57 SER HB3 H 1 3.714 0.020 . 2 . . . . A 57 SER HB3 . 30782 1 556 . 1 . 1 57 57 SER C C 13 175.814 0.400 . 1 . . . . A 57 SER C . 30782 1 557 . 1 . 1 57 57 SER CA C 13 60.927 0.400 . 1 . . . . A 57 SER CA . 30782 1 558 . 1 . 1 57 57 SER CB C 13 63.262 0.400 . 1 . . . . A 57 SER CB . 30782 1 559 . 1 . 1 57 57 SER N N 15 111.508 0.400 . 1 . . . . A 57 SER N . 30782 1 560 . 1 . 1 58 58 ARG H H 1 7.419 0.020 . 1 . . . . A 58 ARG H . 30782 1 561 . 1 . 1 58 58 ARG HA H 1 4.378 0.020 . 1 . . . . A 58 ARG HA . 30782 1 562 . 1 . 1 58 58 ARG HB2 H 1 2.055 0.020 . 2 . . . . A 58 ARG HB2 . 30782 1 563 . 1 . 1 58 58 ARG HB3 H 1 1.794 0.020 . 2 . . . . A 58 ARG HB3 . 30782 1 564 . 1 . 1 58 58 ARG HD2 H 1 3.030 0.020 . 2 . . . . A 58 ARG HD2 . 30782 1 565 . 1 . 1 58 58 ARG HD3 H 1 3.030 0.020 . 2 . . . . A 58 ARG HD3 . 30782 1 566 . 1 . 1 58 58 ARG C C 13 176.225 0.400 . 1 . . . . A 58 ARG C . 30782 1 567 . 1 . 1 58 58 ARG CA C 13 55.903 0.400 . 1 . . . . A 58 ARG CA . 30782 1 568 . 1 . 1 58 58 ARG CB C 13 33.080 0.400 . 1 . . . . A 58 ARG CB . 30782 1 569 . 1 . 1 58 58 ARG CD C 13 42.600 0.400 . 1 . . . . A 58 ARG CD . 30782 1 570 . 1 . 1 58 58 ARG N N 15 118.754 0.400 . 1 . . . . A 58 ARG N . 30782 1 571 . 1 . 1 59 59 GLU H H 1 7.686 0.020 . 1 . . . . A 59 GLU H . 30782 1 572 . 1 . 1 59 59 GLU HA H 1 4.881 0.020 . 1 . . . . A 59 GLU HA . 30782 1 573 . 1 . 1 59 59 GLU HB2 H 1 2.058 0.020 . 2 . . . . A 59 GLU HB2 . 30782 1 574 . 1 . 1 59 59 GLU HB3 H 1 1.827 0.020 . 2 . . . . A 59 GLU HB3 . 30782 1 575 . 1 . 1 59 59 GLU HG2 H 1 2.254 0.020 . 2 . . . . A 59 GLU HG2 . 30782 1 576 . 1 . 1 59 59 GLU HG3 H 1 2.254 0.020 . 2 . . . . A 59 GLU HG3 . 30782 1 577 . 1 . 1 59 59 GLU CA C 13 52.560 0.400 . 1 . . . . A 59 GLU CA . 30782 1 578 . 1 . 1 59 59 GLU CB C 13 28.850 0.400 . 1 . . . . A 59 GLU CB . 30782 1 579 . 1 . 1 59 59 GLU CG C 13 35.700 0.400 . 1 . . . . A 59 GLU CG . 30782 1 580 . 1 . 1 59 59 GLU N N 15 118.663 0.400 . 1 . . . . A 59 GLU N . 30782 1 581 . 1 . 1 60 60 PRO HA H 1 4.174 0.020 . 1 . . . . A 60 PRO HA . 30782 1 582 . 1 . 1 60 60 PRO HB2 H 1 2.343 0.020 . 2 . . . . A 60 PRO HB2 . 30782 1 583 . 1 . 1 60 60 PRO HB3 H 1 1.982 0.020 . 2 . . . . A 60 PRO HB3 . 30782 1 584 . 1 . 1 60 60 PRO HG2 H 1 2.114 0.020 . 2 . . . . A 60 PRO HG2 . 30782 1 585 . 1 . 1 60 60 PRO HG3 H 1 1.965 0.020 . 2 . . . . A 60 PRO HG3 . 30782 1 586 . 1 . 1 60 60 PRO HD2 H 1 3.927 0.020 . 2 . . . . A 60 PRO HD2 . 30782 1 587 . 1 . 1 60 60 PRO HD3 H 1 3.863 0.020 . 2 . . . . A 60 PRO HD3 . 30782 1 588 . 1 . 1 60 60 PRO CA C 13 65.018 0.400 . 1 . . . . A 60 PRO CA . 30782 1 589 . 1 . 1 60 60 PRO CB C 13 32.095 0.400 . 1 . . . . A 60 PRO CB . 30782 1 590 . 1 . 1 60 60 PRO CG C 13 27.500 0.400 . 1 . . . . A 60 PRO CG . 30782 1 591 . 1 . 1 60 60 PRO CD C 13 50.808 0.400 . 1 . . . . A 60 PRO CD . 30782 1 592 . 1 . 1 61 61 SER H H 1 8.400 0.020 . 1 . . . . A 61 SER H . 30782 1 593 . 1 . 1 61 61 SER HA H 1 4.292 0.020 . 1 . . . . A 61 SER HA . 30782 1 594 . 1 . 1 61 61 SER HB2 H 1 3.947 0.020 . 2 . . . . A 61 SER HB2 . 30782 1 595 . 1 . 1 61 61 SER HB3 H 1 3.947 0.020 . 2 . . . . A 61 SER HB3 . 30782 1 596 . 1 . 1 61 61 SER C C 13 175.271 0.400 . 1 . . . . A 61 SER C . 30782 1 597 . 1 . 1 61 61 SER CA C 13 60.592 0.400 . 1 . . . . A 61 SER CA . 30782 1 598 . 1 . 1 61 61 SER CB C 13 62.924 0.400 . 1 . . . . A 61 SER CB . 30782 1 599 . 1 . 1 61 61 SER N N 15 111.650 0.400 . 1 . . . . A 61 SER N . 30782 1 600 . 1 . 1 62 62 LEU H H 1 7.895 0.020 . 1 . . . . A 62 LEU H . 30782 1 601 . 1 . 1 62 62 LEU HA H 1 4.665 0.020 . 1 . . . . A 62 LEU HA . 30782 1 602 . 1 . 1 62 62 LEU HB2 H 1 1.603 0.020 . 2 . . . . A 62 LEU HB2 . 30782 1 603 . 1 . 1 62 62 LEU HB3 H 1 1.613 0.020 . 2 . . . . A 62 LEU HB3 . 30782 1 604 . 1 . 1 62 62 LEU HD11 H 1 0.826 0.020 . 2 . . . . A 62 LEU HD11 . 30782 1 605 . 1 . 1 62 62 LEU HD12 H 1 0.826 0.020 . 2 . . . . A 62 LEU HD12 . 30782 1 606 . 1 . 1 62 62 LEU HD13 H 1 0.826 0.020 . 2 . . . . A 62 LEU HD13 . 30782 1 607 . 1 . 1 62 62 LEU HD21 H 1 0.761 0.020 . 2 . . . . A 62 LEU HD21 . 30782 1 608 . 1 . 1 62 62 LEU HD22 H 1 0.761 0.020 . 2 . . . . A 62 LEU HD22 . 30782 1 609 . 1 . 1 62 62 LEU HD23 H 1 0.761 0.020 . 2 . . . . A 62 LEU HD23 . 30782 1 610 . 1 . 1 62 62 LEU C C 13 177.994 0.400 . 1 . . . . A 62 LEU C . 30782 1 611 . 1 . 1 62 62 LEU CA C 13 54.402 0.400 . 1 . . . . A 62 LEU CA . 30782 1 612 . 1 . 1 62 62 LEU CB C 13 43.007 0.400 . 1 . . . . A 62 LEU CB . 30782 1 613 . 1 . 1 62 62 LEU CD1 C 13 22.884 0.400 . 2 . . . . A 62 LEU CD1 . 30782 1 614 . 1 . 1 62 62 LEU CD2 C 13 25.958 0.400 . 2 . . . . A 62 LEU CD2 . 30782 1 615 . 1 . 1 62 62 LEU N N 15 121.451 0.400 . 1 . . . . A 62 LEU N . 30782 1 616 . 1 . 1 63 63 ARG H H 1 7.488 0.020 . 1 . . . . A 63 ARG H . 30782 1 617 . 1 . 1 63 63 ARG HA H 1 3.973 0.020 . 1 . . . . A 63 ARG HA . 30782 1 618 . 1 . 1 63 63 ARG HB2 H 1 1.981 0.020 . 2 . . . . A 63 ARG HB2 . 30782 1 619 . 1 . 1 63 63 ARG HB3 H 1 1.800 0.020 . 2 . . . . A 63 ARG HB3 . 30782 1 620 . 1 . 1 63 63 ARG HG2 H 1 1.655 0.020 . 2 . . . . A 63 ARG HG2 . 30782 1 621 . 1 . 1 63 63 ARG HG3 H 1 1.655 0.020 . 2 . . . . A 63 ARG HG3 . 30782 1 622 . 1 . 1 63 63 ARG HD2 H 1 3.185 0.020 . 2 . . . . A 63 ARG HD2 . 30782 1 623 . 1 . 1 63 63 ARG HD3 H 1 3.185 0.020 . 2 . . . . A 63 ARG HD3 . 30782 1 624 . 1 . 1 63 63 ARG C C 13 176.045 0.400 . 1 . . . . A 63 ARG C . 30782 1 625 . 1 . 1 63 63 ARG CA C 13 59.016 0.400 . 1 . . . . A 63 ARG CA . 30782 1 626 . 1 . 1 63 63 ARG CB C 13 30.168 0.400 . 1 . . . . A 63 ARG CB . 30782 1 627 . 1 . 1 63 63 ARG CG C 13 26.880 0.400 . 1 . . . . A 63 ARG CG . 30782 1 628 . 1 . 1 63 63 ARG CD C 13 43.600 0.400 . 1 . . . . A 63 ARG CD . 30782 1 629 . 1 . 1 63 63 ARG N N 15 121.821 0.400 . 1 . . . . A 63 ARG N . 30782 1 630 . 1 . 1 64 64 ASP H H 1 8.295 0.020 . 1 . . . . A 64 ASP H . 30782 1 631 . 1 . 1 64 64 ASP HA H 1 4.769 0.020 . 1 . . . . A 64 ASP HA . 30782 1 632 . 1 . 1 64 64 ASP HB2 H 1 2.794 0.020 . 2 . . . . A 64 ASP HB2 . 30782 1 633 . 1 . 1 64 64 ASP HB3 H 1 2.534 0.020 . 2 . . . . A 64 ASP HB3 . 30782 1 634 . 1 . 1 64 64 ASP C C 13 176.134 0.400 . 1 . . . . A 64 ASP C . 30782 1 635 . 1 . 1 64 64 ASP CA C 13 54.107 0.400 . 1 . . . . A 64 ASP CA . 30782 1 636 . 1 . 1 64 64 ASP CB C 13 40.964 0.400 . 1 . . . . A 64 ASP CB . 30782 1 637 . 1 . 1 64 64 ASP N N 15 116.161 0.400 . 1 . . . . A 64 ASP N . 30782 1 638 . 1 . 1 65 65 SER H H 1 7.380 0.020 . 1 . . . . A 65 SER H . 30782 1 639 . 1 . 1 65 65 SER HA H 1 4.342 0.020 . 1 . . . . A 65 SER HA . 30782 1 640 . 1 . 1 65 65 SER HB2 H 1 3.778 0.020 . 2 . . . . A 65 SER HB2 . 30782 1 641 . 1 . 1 65 65 SER HB3 H 1 3.676 0.020 . 2 . . . . A 65 SER HB3 . 30782 1 642 . 1 . 1 65 65 SER C C 13 173.309 0.400 . 1 . . . . A 65 SER C . 30782 1 643 . 1 . 1 65 65 SER CA C 13 58.975 0.400 . 1 . . . . A 65 SER CA . 30782 1 644 . 1 . 1 65 65 SER CB C 13 64.132 0.400 . 1 . . . . A 65 SER CB . 30782 1 645 . 1 . 1 65 65 SER N N 15 115.703 0.400 . 1 . . . . A 65 SER N . 30782 1 646 . 1 . 1 66 66 ASN H H 1 8.827 0.020 . 1 . . . . A 66 ASN H . 30782 1 647 . 1 . 1 66 66 ASN HA H 1 4.799 0.020 . 1 . . . . A 66 ASN HA . 30782 1 648 . 1 . 1 66 66 ASN HB2 H 1 2.833 0.020 . 2 . . . . A 66 ASN HB2 . 30782 1 649 . 1 . 1 66 66 ASN HB3 H 1 2.742 0.020 . 2 . . . . A 66 ASN HB3 . 30782 1 650 . 1 . 1 66 66 ASN HD21 H 1 7.128 0.020 . 2 . . . . A 66 ASN HD21 . 30782 1 651 . 1 . 1 66 66 ASN HD22 H 1 7.753 0.020 . 2 . . . . A 66 ASN HD22 . 30782 1 652 . 1 . 1 66 66 ASN CA C 13 51.202 0.400 . 1 . . . . A 66 ASN CA . 30782 1 653 . 1 . 1 66 66 ASN CB C 13 38.577 0.400 . 1 . . . . A 66 ASN CB . 30782 1 654 . 1 . 1 66 66 ASN N N 15 123.400 0.400 . 1 . . . . A 66 ASN N . 30782 1 655 . 1 . 1 66 66 ASN ND2 N 15 113.400 0.400 . 1 . . . . A 66 ASN ND2 . 30782 1 656 . 1 . 1 67 67 PRO HA H 1 4.079 0.020 . 1 . . . . A 67 PRO HA . 30782 1 657 . 1 . 1 67 67 PRO HB2 H 1 2.238 0.020 . 2 . . . . A 67 PRO HB2 . 30782 1 658 . 1 . 1 67 67 PRO HB3 H 1 1.978 0.020 . 2 . . . . A 67 PRO HB3 . 30782 1 659 . 1 . 1 67 67 PRO HG2 H 1 2.040 0.020 . 2 . . . . A 67 PRO HG2 . 30782 1 660 . 1 . 1 67 67 PRO HG3 H 1 2.040 0.020 . 2 . . . . A 67 PRO HG3 . 30782 1 661 . 1 . 1 67 67 PRO HD2 H 1 3.937 0.020 . 2 . . . . A 67 PRO HD2 . 30782 1 662 . 1 . 1 67 67 PRO HD3 H 1 3.850 0.020 . 2 . . . . A 67 PRO HD3 . 30782 1 663 . 1 . 1 67 67 PRO C C 13 177.085 0.400 . 1 . . . . A 67 PRO C . 30782 1 664 . 1 . 1 67 67 PRO CA C 13 64.946 0.400 . 1 . . . . A 67 PRO CA . 30782 1 665 . 1 . 1 67 67 PRO CB C 13 31.819 0.400 . 1 . . . . A 67 PRO CB . 30782 1 666 . 1 . 1 67 67 PRO CG C 13 27.350 0.400 . 1 . . . . A 67 PRO CG . 30782 1 667 . 1 . 1 67 67 PRO CD C 13 50.900 0.400 . 1 . . . . A 67 PRO CD . 30782 1 668 . 1 . 1 68 68 ASP H H 1 8.136 0.020 . 1 . . . . A 68 ASP H . 30782 1 669 . 1 . 1 68 68 ASP HA H 1 4.489 0.020 . 1 . . . . A 68 ASP HA . 30782 1 670 . 1 . 1 68 68 ASP HB2 H 1 2.708 0.020 . 2 . . . . A 68 ASP HB2 . 30782 1 671 . 1 . 1 68 68 ASP HB3 H 1 2.577 0.020 . 2 . . . . A 68 ASP HB3 . 30782 1 672 . 1 . 1 68 68 ASP C C 13 176.515 0.400 . 1 . . . . A 68 ASP C . 30782 1 673 . 1 . 1 68 68 ASP CA C 13 55.557 0.400 . 1 . . . . A 68 ASP CA . 30782 1 674 . 1 . 1 68 68 ASP CB C 13 40.692 0.400 . 1 . . . . A 68 ASP CB . 30782 1 675 . 1 . 1 68 68 ASP N N 15 115.035 0.400 . 1 . . . . A 68 ASP N . 30782 1 676 . 1 . 1 69 69 GLU H H 1 7.786 0.020 . 1 . . . . A 69 GLU H . 30782 1 677 . 1 . 1 69 69 GLU HA H 1 4.413 0.020 . 1 . . . . A 69 GLU HA . 30782 1 678 . 1 . 1 69 69 GLU HB2 H 1 2.169 0.020 . 2 . . . . A 69 GLU HB2 . 30782 1 679 . 1 . 1 69 69 GLU HB3 H 1 1.876 0.020 . 2 . . . . A 69 GLU HB3 . 30782 1 680 . 1 . 1 69 69 GLU HG2 H 1 2.200 0.020 . 2 . . . . A 69 GLU HG2 . 30782 1 681 . 1 . 1 69 69 GLU HG3 H 1 2.123 0.020 . 2 . . . . A 69 GLU HG3 . 30782 1 682 . 1 . 1 69 69 GLU C C 13 175.984 0.400 . 1 . . . . A 69 GLU C . 30782 1 683 . 1 . 1 69 69 GLU CA C 13 55.407 0.400 . 1 . . . . A 69 GLU CA . 30782 1 684 . 1 . 1 69 69 GLU CB C 13 31.092 0.400 . 1 . . . . A 69 GLU CB . 30782 1 685 . 1 . 1 69 69 GLU CG C 13 36.400 0.400 . 1 . . . . A 69 GLU CG . 30782 1 686 . 1 . 1 69 69 GLU N N 15 117.460 0.400 . 1 . . . . A 69 GLU N . 30782 1 687 . 1 . 1 70 70 ILE H H 1 7.294 0.020 . 1 . . . . A 70 ILE H . 30782 1 688 . 1 . 1 70 70 ILE HA H 1 4.003 0.020 . 1 . . . . A 70 ILE HA . 30782 1 689 . 1 . 1 70 70 ILE HB H 1 1.801 0.020 . 1 . . . . A 70 ILE HB . 30782 1 690 . 1 . 1 70 70 ILE HG12 H 1 1.547 0.020 . 2 . . . . A 70 ILE HG12 . 30782 1 691 . 1 . 1 70 70 ILE HG13 H 1 1.102 0.020 . 2 . . . . A 70 ILE HG13 . 30782 1 692 . 1 . 1 70 70 ILE HG21 H 1 0.773 0.020 . 1 . . . . A 70 ILE HG21 . 30782 1 693 . 1 . 1 70 70 ILE HG22 H 1 0.773 0.020 . 1 . . . . A 70 ILE HG22 . 30782 1 694 . 1 . 1 70 70 ILE HG23 H 1 0.773 0.020 . 1 . . . . A 70 ILE HG23 . 30782 1 695 . 1 . 1 70 70 ILE HD11 H 1 0.785 0.020 . 1 . . . . A 70 ILE HD11 . 30782 1 696 . 1 . 1 70 70 ILE HD12 H 1 0.785 0.020 . 1 . . . . A 70 ILE HD12 . 30782 1 697 . 1 . 1 70 70 ILE HD13 H 1 0.785 0.020 . 1 . . . . A 70 ILE HD13 . 30782 1 698 . 1 . 1 70 70 ILE C C 13 174.860 0.400 . 1 . . . . A 70 ILE C . 30782 1 699 . 1 . 1 70 70 ILE CA C 13 61.912 0.400 . 1 . . . . A 70 ILE CA . 30782 1 700 . 1 . 1 70 70 ILE CB C 13 38.703 0.400 . 1 . . . . A 70 ILE CB . 30782 1 701 . 1 . 1 70 70 ILE CG1 C 13 27.586 0.400 . 1 . . . . A 70 ILE CG1 . 30782 1 702 . 1 . 1 70 70 ILE CG2 C 13 16.740 0.400 . 1 . . . . A 70 ILE CG2 . 30782 1 703 . 1 . 1 70 70 ILE CD1 C 13 13.620 0.400 . 1 . . . . A 70 ILE CD1 . 30782 1 704 . 1 . 1 70 70 ILE N N 15 120.632 0.400 . 1 . . . . A 70 ILE N . 30782 1 705 . 1 . 1 71 71 GLU H H 1 8.363 0.020 . 1 . . . . A 71 GLU H . 30782 1 706 . 1 . 1 71 71 GLU HA H 1 4.419 0.020 . 1 . . . . A 71 GLU HA . 30782 1 707 . 1 . 1 71 71 GLU HB2 H 1 1.895 0.020 . 2 . . . . A 71 GLU HB2 . 30782 1 708 . 1 . 1 71 71 GLU HB3 H 1 1.824 0.020 . 2 . . . . A 71 GLU HB3 . 30782 1 709 . 1 . 1 71 71 GLU HG2 H 1 2.166 0.020 . 2 . . . . A 71 GLU HG2 . 30782 1 710 . 1 . 1 71 71 GLU HG3 H 1 2.060 0.020 . 2 . . . . A 71 GLU HG3 . 30782 1 711 . 1 . 1 71 71 GLU C C 13 175.536 0.400 . 1 . . . . A 71 GLU C . 30782 1 712 . 1 . 1 71 71 GLU CA C 13 54.805 0.400 . 1 . . . . A 71 GLU CA . 30782 1 713 . 1 . 1 71 71 GLU CB C 13 30.630 0.400 . 1 . . . . A 71 GLU CB . 30782 1 714 . 1 . 1 71 71 GLU CG C 13 36.110 0.400 . 1 . . . . A 71 GLU CG . 30782 1 715 . 1 . 1 71 71 GLU N N 15 127.778 0.400 . 1 . . . . A 71 GLU N . 30782 1 716 . 1 . 1 72 72 ILE H H 1 8.595 0.020 . 1 . . . . A 72 ILE H . 30782 1 717 . 1 . 1 72 72 ILE HA H 1 3.561 0.020 . 1 . . . . A 72 ILE HA . 30782 1 718 . 1 . 1 72 72 ILE HB H 1 1.536 0.020 . 1 . . . . A 72 ILE HB . 30782 1 719 . 1 . 1 72 72 ILE HG12 H 1 0.689 0.020 . 2 . . . . A 72 ILE HG12 . 30782 1 720 . 1 . 1 72 72 ILE HG13 H 1 1.475 0.020 . 2 . . . . A 72 ILE HG13 . 30782 1 721 . 1 . 1 72 72 ILE HG21 H 1 0.250 0.020 . 1 . . . . A 72 ILE HG21 . 30782 1 722 . 1 . 1 72 72 ILE HG22 H 1 0.250 0.020 . 1 . . . . A 72 ILE HG22 . 30782 1 723 . 1 . 1 72 72 ILE HG23 H 1 0.250 0.020 . 1 . . . . A 72 ILE HG23 . 30782 1 724 . 1 . 1 72 72 ILE HD11 H 1 0.710 0.020 . 1 . . . . A 72 ILE HD11 . 30782 1 725 . 1 . 1 72 72 ILE HD12 H 1 0.710 0.020 . 1 . . . . A 72 ILE HD12 . 30782 1 726 . 1 . 1 72 72 ILE HD13 H 1 0.710 0.020 . 1 . . . . A 72 ILE HD13 . 30782 1 727 . 1 . 1 72 72 ILE C C 13 174.533 0.400 . 1 . . . . A 72 ILE C . 30782 1 728 . 1 . 1 72 72 ILE CA C 13 61.912 0.400 . 1 . . . . A 72 ILE CA . 30782 1 729 . 1 . 1 72 72 ILE CB C 13 37.800 0.400 . 1 . . . . A 72 ILE CB . 30782 1 730 . 1 . 1 72 72 ILE CG1 C 13 27.460 0.400 . 1 . . . . A 72 ILE CG1 . 30782 1 731 . 1 . 1 72 72 ILE CG2 C 13 17.360 0.400 . 1 . . . . A 72 ILE CG2 . 30782 1 732 . 1 . 1 72 72 ILE CD1 C 13 13.140 0.400 . 1 . . . . A 72 ILE CD1 . 30782 1 733 . 1 . 1 72 72 ILE N N 15 125.494 0.400 . 1 . . . . A 72 ILE N . 30782 1 734 . 1 . 1 73 73 ASP H H 1 8.587 0.020 . 1 . . . . A 73 ASP H . 30782 1 735 . 1 . 1 73 73 ASP HA H 1 4.770 0.020 . 1 . . . . A 73 ASP HA . 30782 1 736 . 1 . 1 73 73 ASP HB2 H 1 2.832 0.020 . 2 . . . . A 73 ASP HB2 . 30782 1 737 . 1 . 1 73 73 ASP HB3 H 1 2.386 0.020 . 2 . . . . A 73 ASP HB3 . 30782 1 738 . 1 . 1 73 73 ASP C C 13 177.212 0.400 . 1 . . . . A 73 ASP C . 30782 1 739 . 1 . 1 73 73 ASP CA C 13 52.130 0.400 . 1 . . . . A 73 ASP CA . 30782 1 740 . 1 . 1 73 73 ASP CB C 13 41.334 0.400 . 1 . . . . A 73 ASP CB . 30782 1 741 . 1 . 1 73 73 ASP N N 15 127.600 0.400 . 1 . . . . A 73 ASP N . 30782 1 742 . 1 . 1 74 74 PHE H H 1 8.719 0.020 . 1 . . . . A 74 PHE H . 30782 1 743 . 1 . 1 74 74 PHE HA H 1 4.080 0.020 . 1 . . . . A 74 PHE HA . 30782 1 744 . 1 . 1 74 74 PHE HB2 H 1 3.108 0.020 . 2 . . . . A 74 PHE HB2 . 30782 1 745 . 1 . 1 74 74 PHE HB3 H 1 3.149 0.020 . 2 . . . . A 74 PHE HB3 . 30782 1 746 . 1 . 1 74 74 PHE HD1 H 1 7.053 0.020 . 1 . . . . A 74 PHE HD1 . 30782 1 747 . 1 . 1 74 74 PHE HD2 H 1 7.053 0.020 . 1 . . . . A 74 PHE HD2 . 30782 1 748 . 1 . 1 74 74 PHE HE1 H 1 7.173 0.020 . 1 . . . . A 74 PHE HE1 . 30782 1 749 . 1 . 1 74 74 PHE HE2 H 1 7.173 0.020 . 1 . . . . A 74 PHE HE2 . 30782 1 750 . 1 . 1 74 74 PHE C C 13 176.921 0.400 . 1 . . . . A 74 PHE C . 30782 1 751 . 1 . 1 74 74 PHE CA C 13 59.694 0.400 . 1 . . . . A 74 PHE CA . 30782 1 752 . 1 . 1 74 74 PHE CB C 13 38.007 0.400 . 1 . . . . A 74 PHE CB . 30782 1 753 . 1 . 1 74 74 PHE CD1 C 13 130.900 0.400 . 3 . . . . A 74 PHE CD1 . 30782 1 754 . 1 . 1 74 74 PHE CD2 C 13 130.900 0.400 . 3 . . . . A 74 PHE CD2 . 30782 1 755 . 1 . 1 74 74 PHE CE1 C 13 130.800 0.400 . 3 . . . . A 74 PHE CE1 . 30782 1 756 . 1 . 1 74 74 PHE CE2 C 13 130.800 0.400 . 3 . . . . A 74 PHE CE2 . 30782 1 757 . 1 . 1 74 74 PHE N N 15 123.541 0.400 . 1 . . . . A 74 PHE N . 30782 1 758 . 1 . 1 75 75 GLU H H 1 8.404 0.020 . 1 . . . . A 75 GLU H . 30782 1 759 . 1 . 1 75 75 GLU HA H 1 4.248 0.020 . 1 . . . . A 75 GLU HA . 30782 1 760 . 1 . 1 75 75 GLU HB2 H 1 2.207 0.020 . 2 . . . . A 75 GLU HB2 . 30782 1 761 . 1 . 1 75 75 GLU HB3 H 1 2.200 0.020 . 2 . . . . A 75 GLU HB3 . 30782 1 762 . 1 . 1 75 75 GLU HG2 H 1 2.461 0.020 . 2 . . . . A 75 GLU HG2 . 30782 1 763 . 1 . 1 75 75 GLU HG3 H 1 2.336 0.020 . 2 . . . . A 75 GLU HG3 . 30782 1 764 . 1 . 1 75 75 GLU C C 13 177.866 0.400 . 1 . . . . A 75 GLU C . 30782 1 765 . 1 . 1 75 75 GLU CA C 13 57.775 0.400 . 1 . . . . A 75 GLU CA . 30782 1 766 . 1 . 1 75 75 GLU CB C 13 29.471 0.400 . 1 . . . . A 75 GLU CB . 30782 1 767 . 1 . 1 75 75 GLU CG C 13 36.350 0.400 . 1 . . . . A 75 GLU CG . 30782 1 768 . 1 . 1 75 75 GLU N N 15 114.597 0.400 . 1 . . . . A 75 GLU N . 30782 1 769 . 1 . 1 76 76 THR H H 1 7.468 0.020 . 1 . . . . A 76 THR H . 30782 1 770 . 1 . 1 76 76 THR HA H 1 4.480 0.020 . 1 . . . . A 76 THR HA . 30782 1 771 . 1 . 1 76 76 THR HB H 1 4.392 0.020 . 1 . . . . A 76 THR HB . 30782 1 772 . 1 . 1 76 76 THR HG21 H 1 1.122 0.020 . 1 . . . . A 76 THR HG21 . 30782 1 773 . 1 . 1 76 76 THR HG22 H 1 1.122 0.020 . 1 . . . . A 76 THR HG22 . 30782 1 774 . 1 . 1 76 76 THR HG23 H 1 1.122 0.020 . 1 . . . . A 76 THR HG23 . 30782 1 775 . 1 . 1 76 76 THR C C 13 174.657 0.400 . 1 . . . . A 76 THR C . 30782 1 776 . 1 . 1 76 76 THR CA C 13 61.279 0.400 . 1 . . . . A 76 THR CA . 30782 1 777 . 1 . 1 76 76 THR CB C 13 69.691 0.400 . 1 . . . . A 76 THR CB . 30782 1 778 . 1 . 1 76 76 THR CG2 C 13 21.680 0.400 . 1 . . . . A 76 THR CG2 . 30782 1 779 . 1 . 1 76 76 THR N N 15 106.683 0.400 . 1 . . . . A 76 THR N . 30782 1 780 . 1 . 1 77 77 LEU H H 1 6.775 0.020 . 1 . . . . A 77 LEU H . 30782 1 781 . 1 . 1 77 77 LEU HA H 1 4.371 0.020 . 1 . . . . A 77 LEU HA . 30782 1 782 . 1 . 1 77 77 LEU HB2 H 1 1.590 0.020 . 2 . . . . A 77 LEU HB2 . 30782 1 783 . 1 . 1 77 77 LEU HB3 H 1 1.253 0.020 . 2 . . . . A 77 LEU HB3 . 30782 1 784 . 1 . 1 77 77 LEU HG H 1 1.919 0.020 . 1 . . . . A 77 LEU HG . 30782 1 785 . 1 . 1 77 77 LEU HD11 H 1 0.773 0.020 . 2 . . . . A 77 LEU HD11 . 30782 1 786 . 1 . 1 77 77 LEU HD12 H 1 0.773 0.020 . 2 . . . . A 77 LEU HD12 . 30782 1 787 . 1 . 1 77 77 LEU HD13 H 1 0.773 0.020 . 2 . . . . A 77 LEU HD13 . 30782 1 788 . 1 . 1 77 77 LEU HD21 H 1 0.650 0.020 . 2 . . . . A 77 LEU HD21 . 30782 1 789 . 1 . 1 77 77 LEU HD22 H 1 0.650 0.020 . 2 . . . . A 77 LEU HD22 . 30782 1 790 . 1 . 1 77 77 LEU HD23 H 1 0.650 0.020 . 2 . . . . A 77 LEU HD23 . 30782 1 791 . 1 . 1 77 77 LEU C C 13 176.506 0.400 . 1 . . . . A 77 LEU C . 30782 1 792 . 1 . 1 77 77 LEU CA C 13 54.191 0.400 . 1 . . . . A 77 LEU CA . 30782 1 793 . 1 . 1 77 77 LEU CB C 13 43.374 0.400 . 1 . . . . A 77 LEU CB . 30782 1 794 . 1 . 1 77 77 LEU CG C 13 26.050 0.400 . 1 . . . . A 77 LEU CG . 30782 1 795 . 1 . 1 77 77 LEU CD1 C 13 23.410 0.400 . 2 . . . . A 77 LEU CD1 . 30782 1 796 . 1 . 1 77 77 LEU CD2 C 13 25.970 0.400 . 2 . . . . A 77 LEU CD2 . 30782 1 797 . 1 . 1 77 77 LEU N N 15 121.104 0.400 . 1 . . . . A 77 LEU N . 30782 1 798 . 1 . 1 78 78 LYS H H 1 10.050 0.020 . 1 . . . . A 78 LYS H . 30782 1 799 . 1 . 1 78 78 LYS HA H 1 4.463 0.020 . 1 . . . . A 78 LYS HA . 30782 1 800 . 1 . 1 78 78 LYS HB2 H 1 2.072 0.020 . 2 . . . . A 78 LYS HB2 . 30782 1 801 . 1 . 1 78 78 LYS HB3 H 1 1.882 0.020 . 2 . . . . A 78 LYS HB3 . 30782 1 802 . 1 . 1 78 78 LYS HG2 H 1 2.096 0.020 . 2 . . . . A 78 LYS HG2 . 30782 1 803 . 1 . 1 78 78 LYS HG3 H 1 1.715 0.020 . 2 . . . . A 78 LYS HG3 . 30782 1 804 . 1 . 1 78 78 LYS HD2 H 1 1.791 0.020 . 2 . . . . A 78 LYS HD2 . 30782 1 805 . 1 . 1 78 78 LYS HD3 H 1 1.791 0.020 . 2 . . . . A 78 LYS HD3 . 30782 1 806 . 1 . 1 78 78 LYS HE2 H 1 3.062 0.020 . 2 . . . . A 78 LYS HE2 . 30782 1 807 . 1 . 1 78 78 LYS HE3 H 1 3.062 0.020 . 2 . . . . A 78 LYS HE3 . 30782 1 808 . 1 . 1 78 78 LYS CA C 13 55.510 0.400 . 1 . . . . A 78 LYS CA . 30782 1 809 . 1 . 1 78 78 LYS CB C 13 31.720 0.400 . 1 . . . . A 78 LYS CB . 30782 1 810 . 1 . 1 78 78 LYS CG C 13 25.548 0.400 . 1 . . . . A 78 LYS CG . 30782 1 811 . 1 . 1 78 78 LYS CD C 13 29.780 0.400 . 1 . . . . A 78 LYS CD . 30782 1 812 . 1 . 1 78 78 LYS CE C 13 42.320 0.400 . 1 . . . . A 78 LYS CE . 30782 1 813 . 1 . 1 78 78 LYS N N 15 123.664 0.400 . 1 . . . . A 78 LYS N . 30782 1 814 . 1 . 1 79 79 PRO HA H 1 4.178 0.020 . 1 . . . . A 79 PRO HA . 30782 1 815 . 1 . 1 79 79 PRO HB2 H 1 2.188 0.020 . 2 . . . . A 79 PRO HB2 . 30782 1 816 . 1 . 1 79 79 PRO HB3 H 1 1.982 0.020 . 2 . . . . A 79 PRO HB3 . 30782 1 817 . 1 . 1 79 79 PRO HG2 H 1 2.247 0.020 . 2 . . . . A 79 PRO HG2 . 30782 1 818 . 1 . 1 79 79 PRO HG3 H 1 2.130 0.020 . 2 . . . . A 79 PRO HG3 . 30782 1 819 . 1 . 1 79 79 PRO HD2 H 1 3.971 0.020 . 2 . . . . A 79 PRO HD2 . 30782 1 820 . 1 . 1 79 79 PRO HD3 H 1 3.971 0.020 . 2 . . . . A 79 PRO HD3 . 30782 1 821 . 1 . 1 79 79 PRO C C 13 178.982 0.400 . 1 . . . . A 79 PRO C . 30782 1 822 . 1 . 1 79 79 PRO CA C 13 66.089 0.400 . 1 . . . . A 79 PRO CA . 30782 1 823 . 1 . 1 79 79 PRO CB C 13 31.870 0.400 . 1 . . . . A 79 PRO CB . 30782 1 824 . 1 . 1 79 79 PRO CG C 13 27.995 0.400 . 1 . . . . A 79 PRO CG . 30782 1 825 . 1 . 1 79 79 PRO CD C 13 50.380 0.400 . 1 . . . . A 79 PRO CD . 30782 1 826 . 1 . 1 80 80 THR H H 1 7.854 0.020 . 1 . . . . A 80 THR H . 30782 1 827 . 1 . 1 80 80 THR HA H 1 3.984 0.020 . 1 . . . . A 80 THR HA . 30782 1 828 . 1 . 1 80 80 THR HB H 1 4.221 0.020 . 1 . . . . A 80 THR HB . 30782 1 829 . 1 . 1 80 80 THR HG21 H 1 1.301 0.020 . 1 . . . . A 80 THR HG21 . 30782 1 830 . 1 . 1 80 80 THR HG22 H 1 1.301 0.020 . 1 . . . . A 80 THR HG22 . 30782 1 831 . 1 . 1 80 80 THR HG23 H 1 1.301 0.020 . 1 . . . . A 80 THR HG23 . 30782 1 832 . 1 . 1 80 80 THR C C 13 177.507 0.400 . 1 . . . . A 80 THR C . 30782 1 833 . 1 . 1 80 80 THR CA C 13 64.821 0.400 . 1 . . . . A 80 THR CA . 30782 1 834 . 1 . 1 80 80 THR CB C 13 68.078 0.400 . 1 . . . . A 80 THR CB . 30782 1 835 . 1 . 1 80 80 THR CG2 C 13 22.947 0.400 . 1 . . . . A 80 THR CG2 . 30782 1 836 . 1 . 1 80 80 THR N N 15 106.012 0.400 . 1 . . . . A 80 THR N . 30782 1 837 . 1 . 1 81 81 THR H H 1 7.316 0.020 . 1 . . . . A 81 THR H . 30782 1 838 . 1 . 1 81 81 THR HA H 1 3.748 0.020 . 1 . . . . A 81 THR HA . 30782 1 839 . 1 . 1 81 81 THR HB H 1 4.510 0.020 . 1 . . . . A 81 THR HB . 30782 1 840 . 1 . 1 81 81 THR HG21 H 1 1.189 0.020 . 1 . . . . A 81 THR HG21 . 30782 1 841 . 1 . 1 81 81 THR HG22 H 1 1.189 0.020 . 1 . . . . A 81 THR HG22 . 30782 1 842 . 1 . 1 81 81 THR HG23 H 1 1.189 0.020 . 1 . . . . A 81 THR HG23 . 30782 1 843 . 1 . 1 81 81 THR C C 13 176.064 0.400 . 1 . . . . A 81 THR C . 30782 1 844 . 1 . 1 81 81 THR CA C 13 65.933 0.400 . 1 . . . . A 81 THR CA . 30782 1 845 . 1 . 1 81 81 THR CB C 13 67.289 0.400 . 1 . . . . A 81 THR CB . 30782 1 846 . 1 . 1 81 81 THR CG2 C 13 24.420 0.400 . 1 . . . . A 81 THR CG2 . 30782 1 847 . 1 . 1 81 81 THR N N 15 121.458 0.400 . 1 . . . . A 81 THR N . 30782 1 848 . 1 . 1 82 82 LEU H H 1 7.897 0.020 . 1 . . . . A 82 LEU H . 30782 1 849 . 1 . 1 82 82 LEU HA H 1 3.783 0.020 . 1 . . . . A 82 LEU HA . 30782 1 850 . 1 . 1 82 82 LEU HB2 H 1 1.945 0.020 . 2 . . . . A 82 LEU HB2 . 30782 1 851 . 1 . 1 82 82 LEU HB3 H 1 1.565 0.020 . 2 . . . . A 82 LEU HB3 . 30782 1 852 . 1 . 1 82 82 LEU HG H 1 1.568 0.020 . 1 . . . . A 82 LEU HG . 30782 1 853 . 1 . 1 82 82 LEU HD11 H 1 0.745 0.020 . 2 . . . . A 82 LEU HD11 . 30782 1 854 . 1 . 1 82 82 LEU HD12 H 1 0.745 0.020 . 2 . . . . A 82 LEU HD12 . 30782 1 855 . 1 . 1 82 82 LEU HD13 H 1 0.745 0.020 . 2 . . . . A 82 LEU HD13 . 30782 1 856 . 1 . 1 82 82 LEU HD21 H 1 0.902 0.020 . 2 . . . . A 82 LEU HD21 . 30782 1 857 . 1 . 1 82 82 LEU HD22 H 1 0.902 0.020 . 2 . . . . A 82 LEU HD22 . 30782 1 858 . 1 . 1 82 82 LEU HD23 H 1 0.902 0.020 . 2 . . . . A 82 LEU HD23 . 30782 1 859 . 1 . 1 82 82 LEU C C 13 178.904 0.400 . 1 . . . . A 82 LEU C . 30782 1 860 . 1 . 1 82 82 LEU CA C 13 58.580 0.400 . 1 . . . . A 82 LEU CA . 30782 1 861 . 1 . 1 82 82 LEU CB C 13 41.040 0.400 . 1 . . . . A 82 LEU CB . 30782 1 862 . 1 . 1 82 82 LEU CG C 13 26.700 0.400 . 1 . . . . A 82 LEU CG . 30782 1 863 . 1 . 1 82 82 LEU CD1 C 13 24.256 0.400 . 2 . . . . A 82 LEU CD1 . 30782 1 864 . 1 . 1 82 82 LEU CD2 C 13 26.164 0.400 . 2 . . . . A 82 LEU CD2 . 30782 1 865 . 1 . 1 82 82 LEU N N 15 120.367 0.400 . 1 . . . . A 82 LEU N . 30782 1 866 . 1 . 1 83 83 ARG H H 1 8.146 0.020 . 1 . . . . A 83 ARG H . 30782 1 867 . 1 . 1 83 83 ARG HA H 1 4.184 0.020 . 1 . . . . A 83 ARG HA . 30782 1 868 . 1 . 1 83 83 ARG HB2 H 1 2.078 0.020 . 2 . . . . A 83 ARG HB2 . 30782 1 869 . 1 . 1 83 83 ARG HB3 H 1 1.970 0.020 . 2 . . . . A 83 ARG HB3 . 30782 1 870 . 1 . 1 83 83 ARG HG2 H 1 1.864 0.020 . 2 . . . . A 83 ARG HG2 . 30782 1 871 . 1 . 1 83 83 ARG HG3 H 1 1.864 0.020 . 2 . . . . A 83 ARG HG3 . 30782 1 872 . 1 . 1 83 83 ARG HD2 H 1 3.134 0.020 . 2 . . . . A 83 ARG HD2 . 30782 1 873 . 1 . 1 83 83 ARG HD3 H 1 3.134 0.020 . 2 . . . . A 83 ARG HD3 . 30782 1 874 . 1 . 1 83 83 ARG C C 13 179.037 0.400 . 1 . . . . A 83 ARG C . 30782 1 875 . 1 . 1 83 83 ARG CA C 13 57.427 0.400 . 1 . . . . A 83 ARG CA . 30782 1 876 . 1 . 1 83 83 ARG CB C 13 29.009 0.400 . 1 . . . . A 83 ARG CB . 30782 1 877 . 1 . 1 83 83 ARG CG C 13 26.004 0.400 . 1 . . . . A 83 ARG CG . 30782 1 878 . 1 . 1 83 83 ARG CD C 13 42.800 0.400 . 1 . . . . A 83 ARG CD . 30782 1 879 . 1 . 1 83 83 ARG N N 15 115.796 0.400 . 1 . . . . A 83 ARG N . 30782 1 880 . 1 . 1 84 84 GLU H H 1 7.897 0.020 . 1 . . . . A 84 GLU H . 30782 1 881 . 1 . 1 84 84 GLU HA H 1 4.206 0.020 . 1 . . . . A 84 GLU HA . 30782 1 882 . 1 . 1 84 84 GLU HB2 H 1 2.121 0.020 . 2 . . . . A 84 GLU HB2 . 30782 1 883 . 1 . 1 84 84 GLU HB3 H 1 2.021 0.020 . 2 . . . . A 84 GLU HB3 . 30782 1 884 . 1 . 1 84 84 GLU HG2 H 1 2.264 0.020 . 2 . . . . A 84 GLU HG2 . 30782 1 885 . 1 . 1 84 84 GLU HG3 H 1 2.264 0.020 . 2 . . . . A 84 GLU HG3 . 30782 1 886 . 1 . 1 84 84 GLU C C 13 179.665 0.400 . 1 . . . . A 84 GLU C . 30782 1 887 . 1 . 1 84 84 GLU CA C 13 59.544 0.400 . 1 . . . . A 84 GLU CA . 30782 1 888 . 1 . 1 84 84 GLU CB C 13 28.650 0.400 . 1 . . . . A 84 GLU CB . 30782 1 889 . 1 . 1 84 84 GLU CG C 13 35.900 0.400 . 1 . . . . A 84 GLU CG . 30782 1 890 . 1 . 1 84 84 GLU N N 15 122.826 0.400 . 1 . . . . A 84 GLU N . 30782 1 891 . 1 . 1 85 85 LEU H H 1 8.465 0.020 . 1 . . . . A 85 LEU H . 30782 1 892 . 1 . 1 85 85 LEU HA H 1 4.143 0.020 . 1 . . . . A 85 LEU HA . 30782 1 893 . 1 . 1 85 85 LEU HB2 H 1 2.254 0.020 . 2 . . . . A 85 LEU HB2 . 30782 1 894 . 1 . 1 85 85 LEU HB3 H 1 1.362 0.020 . 2 . . . . A 85 LEU HB3 . 30782 1 895 . 1 . 1 85 85 LEU HG H 1 1.961 0.020 . 1 . . . . A 85 LEU HG . 30782 1 896 . 1 . 1 85 85 LEU HD11 H 1 0.823 0.020 . 2 . . . . A 85 LEU HD11 . 30782 1 897 . 1 . 1 85 85 LEU HD12 H 1 0.823 0.020 . 2 . . . . A 85 LEU HD12 . 30782 1 898 . 1 . 1 85 85 LEU HD13 H 1 0.823 0.020 . 2 . . . . A 85 LEU HD13 . 30782 1 899 . 1 . 1 85 85 LEU HD21 H 1 0.980 0.020 . 2 . . . . A 85 LEU HD21 . 30782 1 900 . 1 . 1 85 85 LEU HD22 H 1 0.980 0.020 . 2 . . . . A 85 LEU HD22 . 30782 1 901 . 1 . 1 85 85 LEU HD23 H 1 0.980 0.020 . 2 . . . . A 85 LEU HD23 . 30782 1 902 . 1 . 1 85 85 LEU C C 13 177.908 0.400 . 1 . . . . A 85 LEU C . 30782 1 903 . 1 . 1 85 85 LEU CA C 13 58.176 0.400 . 1 . . . . A 85 LEU CA . 30782 1 904 . 1 . 1 85 85 LEU CB C 13 42.625 0.400 . 1 . . . . A 85 LEU CB . 30782 1 905 . 1 . 1 85 85 LEU CG C 13 26.550 0.400 . 1 . . . . A 85 LEU CG . 30782 1 906 . 1 . 1 85 85 LEU CD1 C 13 25.460 0.400 . 2 . . . . A 85 LEU CD1 . 30782 1 907 . 1 . 1 85 85 LEU CD2 C 13 24.990 0.400 . 2 . . . . A 85 LEU CD2 . 30782 1 908 . 1 . 1 85 85 LEU N N 15 120.138 0.400 . 1 . . . . A 85 LEU N . 30782 1 909 . 1 . 1 86 86 GLU H H 1 8.561 0.020 . 1 . . . . A 86 GLU H . 30782 1 910 . 1 . 1 86 86 GLU HA H 1 3.787 0.020 . 1 . . . . A 86 GLU HA . 30782 1 911 . 1 . 1 86 86 GLU HB2 H 1 2.376 0.020 . 2 . . . . A 86 GLU HB2 . 30782 1 912 . 1 . 1 86 86 GLU HB3 H 1 1.949 0.020 . 2 . . . . A 86 GLU HB3 . 30782 1 913 . 1 . 1 86 86 GLU HG2 H 1 2.239 0.020 . 2 . . . . A 86 GLU HG2 . 30782 1 914 . 1 . 1 86 86 GLU HG3 H 1 2.080 0.020 . 2 . . . . A 86 GLU HG3 . 30782 1 915 . 1 . 1 86 86 GLU C C 13 178.136 0.400 . 1 . . . . A 86 GLU C . 30782 1 916 . 1 . 1 86 86 GLU CA C 13 59.800 0.400 . 1 . . . . A 86 GLU CA . 30782 1 917 . 1 . 1 86 86 GLU CB C 13 30.319 0.400 . 1 . . . . A 86 GLU CB . 30782 1 918 . 1 . 1 86 86 GLU CG C 13 35.800 0.400 . 1 . . . . A 86 GLU CG . 30782 1 919 . 1 . 1 86 86 GLU N N 15 120.325 0.400 . 1 . . . . A 86 GLU N . 30782 1 920 . 1 . 1 87 87 ARG H H 1 7.963 0.020 . 1 . . . . A 87 ARG H . 30782 1 921 . 1 . 1 87 87 ARG HA H 1 3.981 0.020 . 1 . . . . A 87 ARG HA . 30782 1 922 . 1 . 1 87 87 ARG HB2 H 1 2.030 0.020 . 2 . . . . A 87 ARG HB2 . 30782 1 923 . 1 . 1 87 87 ARG HB3 H 1 1.924 0.020 . 2 . . . . A 87 ARG HB3 . 30782 1 924 . 1 . 1 87 87 ARG HG2 H 1 1.920 0.020 . 2 . . . . A 87 ARG HG2 . 30782 1 925 . 1 . 1 87 87 ARG HG3 H 1 1.610 0.020 . 2 . . . . A 87 ARG HG3 . 30782 1 926 . 1 . 1 87 87 ARG HD2 H 1 3.300 0.020 . 2 . . . . A 87 ARG HD2 . 30782 1 927 . 1 . 1 87 87 ARG HD3 H 1 3.220 0.020 . 2 . . . . A 87 ARG HD3 . 30782 1 928 . 1 . 1 87 87 ARG CA C 13 59.810 0.400 . 1 . . . . A 87 ARG CA . 30782 1 929 . 1 . 1 87 87 ARG CB C 13 30.400 0.400 . 1 . . . . A 87 ARG CB . 30782 1 930 . 1 . 1 87 87 ARG CG C 13 28.000 0.400 . 1 . . . . A 87 ARG CG . 30782 1 931 . 1 . 1 87 87 ARG CD C 13 43.526 0.400 . 1 . . . . A 87 ARG CD . 30782 1 932 . 1 . 1 87 87 ARG N N 15 118.603 0.400 . 1 . . . . A 87 ARG N . 30782 1 933 . 1 . 1 88 88 TYR H H 1 8.230 0.020 . 1 . . . . A 88 TYR H . 30782 1 934 . 1 . 1 88 88 TYR HA H 1 4.298 0.020 . 1 . . . . A 88 TYR HA . 30782 1 935 . 1 . 1 88 88 TYR HB2 H 1 3.335 0.020 . 2 . . . . A 88 TYR HB2 . 30782 1 936 . 1 . 1 88 88 TYR HB3 H 1 2.946 0.020 . 2 . . . . A 88 TYR HB3 . 30782 1 937 . 1 . 1 88 88 TYR HD1 H 1 6.913 0.020 . 1 . . . . A 88 TYR HD1 . 30782 1 938 . 1 . 1 88 88 TYR HD2 H 1 6.913 0.020 . 1 . . . . A 88 TYR HD2 . 30782 1 939 . 1 . 1 88 88 TYR HE1 H 1 6.707 0.020 . 1 . . . . A 88 TYR HE1 . 30782 1 940 . 1 . 1 88 88 TYR HE2 H 1 6.707 0.020 . 1 . . . . A 88 TYR HE2 . 30782 1 941 . 1 . 1 88 88 TYR C C 13 178.894 0.400 . 1 . . . . A 88 TYR C . 30782 1 942 . 1 . 1 88 88 TYR CA C 13 61.453 0.400 . 1 . . . . A 88 TYR CA . 30782 1 943 . 1 . 1 88 88 TYR CB C 13 38.422 0.400 . 1 . . . . A 88 TYR CB . 30782 1 944 . 1 . 1 88 88 TYR CD1 C 13 132.400 0.400 . 3 . . . . A 88 TYR CD1 . 30782 1 945 . 1 . 1 88 88 TYR CD2 C 13 132.400 0.400 . 3 . . . . A 88 TYR CD2 . 30782 1 946 . 1 . 1 88 88 TYR CE1 C 13 118.400 0.400 . 3 . . . . A 88 TYR CE1 . 30782 1 947 . 1 . 1 88 88 TYR CE2 C 13 118.400 0.400 . 3 . . . . A 88 TYR CE2 . 30782 1 948 . 1 . 1 88 88 TYR N N 15 121.000 0.400 . 1 . . . . A 88 TYR N . 30782 1 949 . 1 . 1 89 89 VAL H H 1 9.139 0.020 . 1 . . . . A 89 VAL H . 30782 1 950 . 1 . 1 89 89 VAL HA H 1 3.222 0.020 . 1 . . . . A 89 VAL HA . 30782 1 951 . 1 . 1 89 89 VAL HB H 1 2.107 0.020 . 1 . . . . A 89 VAL HB . 30782 1 952 . 1 . 1 89 89 VAL HG11 H 1 0.936 0.020 . 2 . . . . A 89 VAL HG11 . 30782 1 953 . 1 . 1 89 89 VAL HG12 H 1 0.936 0.020 . 2 . . . . A 89 VAL HG12 . 30782 1 954 . 1 . 1 89 89 VAL HG13 H 1 0.936 0.020 . 2 . . . . A 89 VAL HG13 . 30782 1 955 . 1 . 1 89 89 VAL HG21 H 1 1.126 0.020 . 2 . . . . A 89 VAL HG21 . 30782 1 956 . 1 . 1 89 89 VAL HG22 H 1 1.126 0.020 . 2 . . . . A 89 VAL HG22 . 30782 1 957 . 1 . 1 89 89 VAL HG23 H 1 1.126 0.020 . 2 . . . . A 89 VAL HG23 . 30782 1 958 . 1 . 1 89 89 VAL C C 13 177.871 0.400 . 1 . . . . A 89 VAL C . 30782 1 959 . 1 . 1 89 89 VAL CA C 13 67.289 0.400 . 1 . . . . A 89 VAL CA . 30782 1 960 . 1 . 1 89 89 VAL CB C 13 31.368 0.400 . 1 . . . . A 89 VAL CB . 30782 1 961 . 1 . 1 89 89 VAL CG1 C 13 22.230 0.400 . 2 . . . . A 89 VAL CG1 . 30782 1 962 . 1 . 1 89 89 VAL CG2 C 13 23.603 0.400 . 2 . . . . A 89 VAL CG2 . 30782 1 963 . 1 . 1 89 89 VAL N N 15 121.165 0.400 . 1 . . . . A 89 VAL N . 30782 1 964 . 1 . 1 90 90 LYS H H 1 8.093 0.020 . 1 . . . . A 90 LYS H . 30782 1 965 . 1 . 1 90 90 LYS HA H 1 3.881 0.020 . 1 . . . . A 90 LYS HA . 30782 1 966 . 1 . 1 90 90 LYS HB2 H 1 1.900 0.020 . 2 . . . . A 90 LYS HB2 . 30782 1 967 . 1 . 1 90 90 LYS HB3 H 1 1.815 0.020 . 2 . . . . A 90 LYS HB3 . 30782 1 968 . 1 . 1 90 90 LYS HG2 H 1 1.570 0.020 . 2 . . . . A 90 LYS HG2 . 30782 1 969 . 1 . 1 90 90 LYS HG3 H 1 1.367 0.020 . 2 . . . . A 90 LYS HG3 . 30782 1 970 . 1 . 1 90 90 LYS HE2 H 1 2.930 0.020 . 2 . . . . A 90 LYS HE2 . 30782 1 971 . 1 . 1 90 90 LYS HE3 H 1 2.930 0.020 . 2 . . . . A 90 LYS HE3 . 30782 1 972 . 1 . 1 90 90 LYS C C 13 179.211 0.400 . 1 . . . . A 90 LYS C . 30782 1 973 . 1 . 1 90 90 LYS CA C 13 59.983 0.400 . 1 . . . . A 90 LYS CA . 30782 1 974 . 1 . 1 90 90 LYS CB C 13 32.000 0.400 . 1 . . . . A 90 LYS CB . 30782 1 975 . 1 . 1 90 90 LYS CG C 13 25.576 0.400 . 1 . . . . A 90 LYS CG . 30782 1 976 . 1 . 1 90 90 LYS CE C 13 42.170 0.400 . 1 . . . . A 90 LYS CE . 30782 1 977 . 1 . 1 90 90 LYS N N 15 118.838 0.400 . 1 . . . . A 90 LYS N . 30782 1 978 . 1 . 1 91 91 SER H H 1 7.636 0.020 . 1 . . . . A 91 SER H . 30782 1 979 . 1 . 1 91 91 SER HA H 1 4.276 0.020 . 1 . . . . A 91 SER HA . 30782 1 980 . 1 . 1 91 91 SER HB2 H 1 4.011 0.020 . 2 . . . . A 91 SER HB2 . 30782 1 981 . 1 . 1 91 91 SER HB3 H 1 4.011 0.020 . 2 . . . . A 91 SER HB3 . 30782 1 982 . 1 . 1 91 91 SER C C 13 176.211 0.400 . 1 . . . . A 91 SER C . 30782 1 983 . 1 . 1 91 91 SER CA C 13 61.021 0.400 . 1 . . . . A 91 SER CA . 30782 1 984 . 1 . 1 91 91 SER CB C 13 63.011 0.400 . 1 . . . . A 91 SER CB . 30782 1 985 . 1 . 1 91 91 SER N N 15 113.917 0.400 . 1 . . . . A 91 SER N . 30782 1 986 . 1 . 1 92 92 CYS H H 1 7.532 0.020 . 1 . . . . A 92 CYS H . 30782 1 987 . 1 . 1 92 92 CYS HA H 1 4.200 0.020 . 1 . . . . A 92 CYS HA . 30782 1 988 . 1 . 1 92 92 CYS HB2 H 1 2.875 0.020 . 2 . . . . A 92 CYS HB2 . 30782 1 989 . 1 . 1 92 92 CYS HB3 H 1 2.429 0.020 . 2 . . . . A 92 CYS HB3 . 30782 1 990 . 1 . 1 92 92 CYS C C 13 176.116 0.400 . 1 . . . . A 92 CYS C . 30782 1 991 . 1 . 1 92 92 CYS CA C 13 61.760 0.400 . 1 . . . . A 92 CYS CA . 30782 1 992 . 1 . 1 92 92 CYS CB C 13 28.029 0.400 . 1 . . . . A 92 CYS CB . 30782 1 993 . 1 . 1 92 92 CYS N N 15 118.703 0.400 . 1 . . . . A 92 CYS N . 30782 1 994 . 1 . 1 93 93 LEU H H 1 7.621 0.020 . 1 . . . . A 93 LEU H . 30782 1 995 . 1 . 1 93 93 LEU HA H 1 4.303 0.020 . 1 . . . . A 93 LEU HA . 30782 1 996 . 1 . 1 93 93 LEU HB2 H 1 1.501 0.020 . 2 . . . . A 93 LEU HB2 . 30782 1 997 . 1 . 1 93 93 LEU HB3 H 1 1.631 0.020 . 2 . . . . A 93 LEU HB3 . 30782 1 998 . 1 . 1 93 93 LEU HG H 1 1.629 0.020 . 1 . . . . A 93 LEU HG . 30782 1 999 . 1 . 1 93 93 LEU HD11 H 1 0.751 0.020 . 2 . . . . A 93 LEU HD11 . 30782 1 1000 . 1 . 1 93 93 LEU HD12 H 1 0.751 0.020 . 2 . . . . A 93 LEU HD12 . 30782 1 1001 . 1 . 1 93 93 LEU HD13 H 1 0.751 0.020 . 2 . . . . A 93 LEU HD13 . 30782 1 1002 . 1 . 1 93 93 LEU HD21 H 1 0.841 0.020 . 2 . . . . A 93 LEU HD21 . 30782 1 1003 . 1 . 1 93 93 LEU HD22 H 1 0.841 0.020 . 2 . . . . A 93 LEU HD22 . 30782 1 1004 . 1 . 1 93 93 LEU HD23 H 1 0.841 0.020 . 2 . . . . A 93 LEU HD23 . 30782 1 1005 . 1 . 1 93 93 LEU C C 13 177.045 0.400 . 1 . . . . A 93 LEU C . 30782 1 1006 . 1 . 1 93 93 LEU CA C 13 55.338 0.400 . 1 . . . . A 93 LEU CA . 30782 1 1007 . 1 . 1 93 93 LEU CB C 13 42.362 0.400 . 1 . . . . A 93 LEU CB . 30782 1 1008 . 1 . 1 93 93 LEU CG C 13 26.600 0.400 . 1 . . . . A 93 LEU CG . 30782 1 1009 . 1 . 1 93 93 LEU CD1 C 13 22.426 0.400 . 2 . . . . A 93 LEU CD1 . 30782 1 1010 . 1 . 1 93 93 LEU CD2 C 13 25.634 0.400 . 2 . . . . A 93 LEU CD2 . 30782 1 1011 . 1 . 1 93 93 LEU N N 15 119.111 0.400 . 1 . . . . A 93 LEU N . 30782 1 1012 . 1 . 1 94 94 GLN H H 1 7.778 0.020 . 1 . . . . A 94 GLN H . 30782 1 1013 . 1 . 1 94 94 GLN HA H 1 4.236 0.020 . 1 . . . . A 94 GLN HA . 30782 1 1014 . 1 . 1 94 94 GLN HB2 H 1 2.071 0.020 . 2 . . . . A 94 GLN HB2 . 30782 1 1015 . 1 . 1 94 94 GLN HB3 H 1 2.056 0.020 . 2 . . . . A 94 GLN HB3 . 30782 1 1016 . 1 . 1 94 94 GLN HG2 H 1 2.360 0.020 . 2 . . . . A 94 GLN HG2 . 30782 1 1017 . 1 . 1 94 94 GLN HG3 H 1 2.376 0.020 . 2 . . . . A 94 GLN HG3 . 30782 1 1018 . 1 . 1 94 94 GLN HE21 H 1 6.855 0.020 . 2 . . . . A 94 GLN HE21 . 30782 1 1019 . 1 . 1 94 94 GLN HE22 H 1 7.501 0.020 . 2 . . . . A 94 GLN HE22 . 30782 1 1020 . 1 . 1 94 94 GLN C C 13 175.589 0.400 . 1 . . . . A 94 GLN C . 30782 1 1021 . 1 . 1 94 94 GLN CA C 13 56.109 0.400 . 1 . . . . A 94 GLN CA . 30782 1 1022 . 1 . 1 94 94 GLN CB C 13 28.803 0.400 . 1 . . . . A 94 GLN CB . 30782 1 1023 . 1 . 1 94 94 GLN CG C 13 33.953 0.400 . 1 . . . . A 94 GLN CG . 30782 1 1024 . 1 . 1 94 94 GLN N N 15 119.283 0.400 . 1 . . . . A 94 GLN N . 30782 1 1025 . 1 . 1 94 94 GLN NE2 N 15 112.600 0.400 . 1 . . . . A 94 GLN NE2 . 30782 1 1026 . 1 . 1 95 95 LYS H H 1 8.174 0.020 . 1 . . . . A 95 LYS H . 30782 1 1027 . 1 . 1 95 95 LYS HA H 1 4.306 0.020 . 1 . . . . A 95 LYS HA . 30782 1 1028 . 1 . 1 95 95 LYS HB2 H 1 1.841 0.020 . 2 . . . . A 95 LYS HB2 . 30782 1 1029 . 1 . 1 95 95 LYS HB3 H 1 1.736 0.020 . 2 . . . . A 95 LYS HB3 . 30782 1 1030 . 1 . 1 95 95 LYS HG2 H 1 1.435 0.020 . 2 . . . . A 95 LYS HG2 . 30782 1 1031 . 1 . 1 95 95 LYS HG3 H 1 1.437 0.020 . 2 . . . . A 95 LYS HG3 . 30782 1 1032 . 1 . 1 95 95 LYS HD2 H 1 1.656 0.020 . 2 . . . . A 95 LYS HD2 . 30782 1 1033 . 1 . 1 95 95 LYS HD3 H 1 1.656 0.020 . 2 . . . . A 95 LYS HD3 . 30782 1 1034 . 1 . 1 95 95 LYS HE2 H 1 2.971 0.020 . 2 . . . . A 95 LYS HE2 . 30782 1 1035 . 1 . 1 95 95 LYS HE3 H 1 2.971 0.020 . 2 . . . . A 95 LYS HE3 . 30782 1 1036 . 1 . 1 95 95 LYS C C 13 175.547 0.400 . 1 . . . . A 95 LYS C . 30782 1 1037 . 1 . 1 95 95 LYS CA C 13 56.362 0.400 . 1 . . . . A 95 LYS CA . 30782 1 1038 . 1 . 1 95 95 LYS CB C 13 32.976 0.400 . 1 . . . . A 95 LYS CB . 30782 1 1039 . 1 . 1 95 95 LYS CG C 13 24.726 0.400 . 1 . . . . A 95 LYS CG . 30782 1 1040 . 1 . 1 95 95 LYS CD C 13 29.114 0.400 . 1 . . . . A 95 LYS CD . 30782 1 1041 . 1 . 1 95 95 LYS CE C 13 42.180 0.400 . 1 . . . . A 95 LYS CE . 30782 1 1042 . 1 . 1 95 95 LYS N N 15 122.839 0.400 . 1 . . . . A 95 LYS N . 30782 1 1043 . 1 . 1 96 96 LYS H H 1 8.017 0.020 . 1 . . . . A 96 LYS H . 30782 1 1044 . 1 . 1 96 96 LYS HA H 1 4.131 0.020 . 1 . . . . A 96 LYS HA . 30782 1 1045 . 1 . 1 96 96 LYS HB2 H 1 1.812 0.020 . 2 . . . . A 96 LYS HB2 . 30782 1 1046 . 1 . 1 96 96 LYS HB3 H 1 1.689 0.020 . 2 . . . . A 96 LYS HB3 . 30782 1 1047 . 1 . 1 96 96 LYS HG2 H 1 1.390 0.020 . 2 . . . . A 96 LYS HG2 . 30782 1 1048 . 1 . 1 96 96 LYS HG3 H 1 1.390 0.020 . 2 . . . . A 96 LYS HG3 . 30782 1 1049 . 1 . 1 96 96 LYS HD2 H 1 1.657 0.020 . 2 . . . . A 96 LYS HD2 . 30782 1 1050 . 1 . 1 96 96 LYS HD3 H 1 1.657 0.020 . 2 . . . . A 96 LYS HD3 . 30782 1 1051 . 1 . 1 96 96 LYS HE2 H 1 2.971 0.020 . 2 . . . . A 96 LYS HE2 . 30782 1 1052 . 1 . 1 96 96 LYS HE3 H 1 2.971 0.020 . 2 . . . . A 96 LYS HE3 . 30782 1 1053 . 1 . 1 96 96 LYS CA C 13 57.748 0.400 . 1 . . . . A 96 LYS CA . 30782 1 1054 . 1 . 1 96 96 LYS CB C 13 33.650 0.400 . 1 . . . . A 96 LYS CB . 30782 1 1055 . 1 . 1 96 96 LYS CG C 13 24.794 0.400 . 1 . . . . A 96 LYS CG . 30782 1 1056 . 1 . 1 96 96 LYS CD C 13 29.163 0.400 . 1 . . . . A 96 LYS CD . 30782 1 1057 . 1 . 1 96 96 LYS CE C 13 42.195 0.400 . 1 . . . . A 96 LYS CE . 30782 1 1058 . 1 . 1 96 96 LYS N N 15 128.386 0.400 . 1 . . . . A 96 LYS N . 30782 1 stop_ save_