data_51106 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51106 _Entry.Title ; 1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-27 _Entry.Accession_date 2021-09-27 _Entry.Last_release_date 2021-09-27 _Entry.Original_release_date 2021-09-27 _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 _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 '1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1' _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 'Hui Qi' Ng . . . . 51106 2 Congbao Kang . . . 0000-0002-9886-9374 51106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 51106 '15N chemical shifts' 79 51106 '1H chemical shifts' 322 51106 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-26 2021-09-27 update BMRB 'update entry citation' 51106 1 . . 2022-02-18 2021-09-27 original author 'original release' 51106 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51106 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35061233 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of the first BIR domain of cellular inhibitor of apoptosis protein 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 91 _Citation.Page_last 95 _Citation.Year 2022 _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 'Hui Qi' Ng . . . . 51106 1 2 Qingxin Li . . . . 51106 1 3 Congbao Kang . . . . 51106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51106 _Assembly.ID 1 _Assembly.Name BIR1-cIAP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 BIR1-cIAP 1 $entity_1 . . yes native no no . . . 51106 1 2 'Zinc ion' 2 $entity_ZN . . no native no no . . . 51106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51106 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKYDFSCELYRMSTYSTFPA GVPVSERSLARAGFYYTGVN DKVKCFCCGLMLDNWKLGDS PIHKHKQLYPSCSFIQNLVS AS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M39-S120 of human cIAP' _Entity.Polymer_author_seq_details 'M39-S120 of human cIAP' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51106 1 2 . LYS . 51106 1 3 . TYR . 51106 1 4 . ASP . 51106 1 5 . PHE . 51106 1 6 . SER . 51106 1 7 . CYS . 51106 1 8 . GLU . 51106 1 9 . LEU . 51106 1 10 . TYR . 51106 1 11 . ARG . 51106 1 12 . MET . 51106 1 13 . SER . 51106 1 14 . THR . 51106 1 15 . TYR . 51106 1 16 . SER . 51106 1 17 . THR . 51106 1 18 . PHE . 51106 1 19 . PRO . 51106 1 20 . ALA . 51106 1 21 . GLY . 51106 1 22 . VAL . 51106 1 23 . PRO . 51106 1 24 . VAL . 51106 1 25 . SER . 51106 1 26 . GLU . 51106 1 27 . ARG . 51106 1 28 . SER . 51106 1 29 . LEU . 51106 1 30 . ALA . 51106 1 31 . ARG . 51106 1 32 . ALA . 51106 1 33 . GLY . 51106 1 34 . PHE . 51106 1 35 . TYR . 51106 1 36 . TYR . 51106 1 37 . THR . 51106 1 38 . GLY . 51106 1 39 . VAL . 51106 1 40 . ASN . 51106 1 41 . ASP . 51106 1 42 . LYS . 51106 1 43 . VAL . 51106 1 44 . LYS . 51106 1 45 . CYS . 51106 1 46 . PHE . 51106 1 47 . CYS . 51106 1 48 . CYS . 51106 1 49 . GLY . 51106 1 50 . LEU . 51106 1 51 . MET . 51106 1 52 . LEU . 51106 1 53 . ASP . 51106 1 54 . ASN . 51106 1 55 . TRP . 51106 1 56 . LYS . 51106 1 57 . LEU . 51106 1 58 . GLY . 51106 1 59 . ASP . 51106 1 60 . SER . 51106 1 61 . PRO . 51106 1 62 . ILE . 51106 1 63 . HIS . 51106 1 64 . LYS . 51106 1 65 . HIS . 51106 1 66 . LYS . 51106 1 67 . GLN . 51106 1 68 . LEU . 51106 1 69 . TYR . 51106 1 70 . PRO . 51106 1 71 . SER . 51106 1 72 . CYS . 51106 1 73 . SER . 51106 1 74 . PHE . 51106 1 75 . ILE . 51106 1 76 . GLN . 51106 1 77 . ASN . 51106 1 78 . LEU . 51106 1 79 . VAL . 51106 1 80 . SER . 51106 1 81 . ALA . 51106 1 82 . SER . 51106 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51106 1 . LYS 2 2 51106 1 . TYR 3 3 51106 1 . ASP 4 4 51106 1 . PHE 5 5 51106 1 . SER 6 6 51106 1 . CYS 7 7 51106 1 . GLU 8 8 51106 1 . LEU 9 9 51106 1 . TYR 10 10 51106 1 . ARG 11 11 51106 1 . MET 12 12 51106 1 . SER 13 13 51106 1 . THR 14 14 51106 1 . TYR 15 15 51106 1 . SER 16 16 51106 1 . THR 17 17 51106 1 . PHE 18 18 51106 1 . PRO 19 19 51106 1 . ALA 20 20 51106 1 . GLY 21 21 51106 1 . VAL 22 22 51106 1 . PRO 23 23 51106 1 . VAL 24 24 51106 1 . SER 25 25 51106 1 . GLU 26 26 51106 1 . ARG 27 27 51106 1 . SER 28 28 51106 1 . LEU 29 29 51106 1 . ALA 30 30 51106 1 . ARG 31 31 51106 1 . ALA 32 32 51106 1 . GLY 33 33 51106 1 . PHE 34 34 51106 1 . TYR 35 35 51106 1 . TYR 36 36 51106 1 . THR 37 37 51106 1 . GLY 38 38 51106 1 . VAL 39 39 51106 1 . ASN 40 40 51106 1 . ASP 41 41 51106 1 . LYS 42 42 51106 1 . VAL 43 43 51106 1 . LYS 44 44 51106 1 . CYS 45 45 51106 1 . PHE 46 46 51106 1 . CYS 47 47 51106 1 . CYS 48 48 51106 1 . GLY 49 49 51106 1 . LEU 50 50 51106 1 . MET 51 51 51106 1 . LEU 52 52 51106 1 . ASP 53 53 51106 1 . ASN 54 54 51106 1 . TRP 55 55 51106 1 . LYS 56 56 51106 1 . LEU 57 57 51106 1 . GLY 58 58 51106 1 . ASP 59 59 51106 1 . SER 60 60 51106 1 . PRO 61 61 51106 1 . ILE 62 62 51106 1 . HIS 63 63 51106 1 . LYS 64 64 51106 1 . HIS 65 65 51106 1 . LYS 66 66 51106 1 . GLN 67 67 51106 1 . LEU 68 68 51106 1 . TYR 69 69 51106 1 . PRO 70 70 51106 1 . SER 71 71 51106 1 . CYS 72 72 51106 1 . SER 73 73 51106 1 . PHE 74 74 51106 1 . ILE 75 75 51106 1 . GLN 76 76 51106 1 . ASN 77 77 51106 1 . LEU 78 78 51106 1 . VAL 79 79 51106 1 . SER 80 80 51106 1 . ALA 81 81 51106 1 . SER 82 82 51106 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51106 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _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 'ZINC ION' BMRB 51106 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51106 2 ZN 'Three letter code' 51106 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 51106 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51106 _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 . . . . . . . . . . . . . 51106 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51106 _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' . . . Escherichia coli DE3 . . plasmid . . pET29b . . . 51106 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51106 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51106 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51106 ZN [Zn++] SMILES CACTVS 3.341 51106 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51106 ZN [Zn+2] SMILES ACDLabs 10.04 51106 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51106 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51106 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51106 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51106 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51106 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51106 _Sample.ID 1 _Sample.Name '13C-15N BIR1-cIAP' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 BIR1-cIAP '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51106 1 2 BIR1-cIAP '[U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51106 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51106 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51106 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51106 1 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 51106 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details '20 mM sodium phosphate, pH7.2, 150 mM NaCl and 1mM DTT.' 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' 0.17 . M 51106 1 pH 7.2 . pH 51106 1 pressure 1 . atm 51106 1 temperature 298 . K 51106 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51106 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51106 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51106 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51106 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51106 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51106 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51106 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51106 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51106 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51106 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51106 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 6 '3D HBHCONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 7 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 1 8 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51106 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 51106 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BIR1-cIAP1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51106 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51106 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51106 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 51106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BIR1-cIAP1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 51106 1 3 '3D HNCA' . . . 51106 1 4 '3D HNCACB' . . . 51106 1 5 '3D HNCO' . . . 51106 1 6 '3D HBHCONH' . . . 51106 1 7 '3D C(CO)NH' . . . 51106 1 8 '3D H(CCO)NH' . . . 51106 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51106 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 LYS HA H 1 4.159 0.020 . 1 . . . . . 2 LYS HA . 51106 1 2 . 1 . 1 2 2 LYS HB2 H 1 1.565 0.020 . 2 . . . . . 2 LYS HB2 . 51106 1 3 . 1 . 1 2 2 LYS HD2 H 1 1.211 0.020 . 2 . . . . . 2 LYS HD2 . 51106 1 4 . 1 . 1 2 2 LYS HE2 H 1 2.906 0.020 . 2 . . . . . 2 LYS HE2 . 51106 1 5 . 1 . 1 2 2 LYS C C 13 175.260 0.400 . 1 . . . . . 2 LYS C . 51106 1 6 . 1 . 1 2 2 LYS CA C 13 55.923 0.400 . 1 . . . . . 2 LYS CA . 51106 1 7 . 1 . 1 2 2 LYS CB C 13 33.160 0.400 . 1 . . . . . 2 LYS CB . 51106 1 8 . 1 . 1 2 2 LYS CG C 13 24.560 0.400 . 1 . . . . . 2 LYS CG . 51106 1 9 . 1 . 1 2 2 LYS CD C 13 28.995 0.400 . 1 . . . . . 2 LYS CD . 51106 1 10 . 1 . 1 3 3 TYR H H 1 7.943 0.020 . 1 . . . . . 3 TYR H . 51106 1 11 . 1 . 1 3 3 TYR HA H 1 3.936 0.020 . 1 . . . . . 3 TYR HA . 51106 1 12 . 1 . 1 3 3 TYR HB2 H 1 2.349 0.020 . 2 . . . . . 3 TYR HB2 . 51106 1 13 . 1 . 1 3 3 TYR C C 13 174.119 0.400 . 1 . . . . . 3 TYR C . 51106 1 14 . 1 . 1 3 3 TYR CA C 13 56.380 0.400 . 1 . . . . . 3 TYR CA . 51106 1 15 . 1 . 1 3 3 TYR CB C 13 37.765 0.400 . 1 . . . . . 3 TYR CB . 51106 1 16 . 1 . 1 3 3 TYR N N 15 121.705 0.400 . 1 . . . . . 3 TYR N . 51106 1 17 . 1 . 1 4 4 ASP H H 1 7.111 0.020 . 1 . . . . . 4 ASP H . 51106 1 18 . 1 . 1 4 4 ASP HA H 1 4.266 0.020 . 1 . . . . . 4 ASP HA . 51106 1 19 . 1 . 1 4 4 ASP HB2 H 1 2.467 0.020 . 2 . . . . . 4 ASP HB2 . 51106 1 20 . 1 . 1 4 4 ASP C C 13 175.988 0.400 . 1 . . . . . 4 ASP C . 51106 1 21 . 1 . 1 4 4 ASP CA C 13 52.477 0.400 . 1 . . . . . 4 ASP CA . 51106 1 22 . 1 . 1 4 4 ASP CB C 13 41.344 0.400 . 1 . . . . . 4 ASP CB . 51106 1 23 . 1 . 1 4 4 ASP N N 15 119.945 0.400 . 1 . . . . . 4 ASP N . 51106 1 24 . 1 . 1 5 5 PHE H H 1 8.104 0.020 . 1 . . . . . 5 PHE H . 51106 1 25 . 1 . 1 5 5 PHE HA H 1 4.252 0.020 . 1 . . . . . 5 PHE HA . 51106 1 26 . 1 . 1 5 5 PHE HB2 H 1 3.061 0.020 . 2 . . . . . 5 PHE HB2 . 51106 1 27 . 1 . 1 5 5 PHE HB3 H 1 2.837 0.020 . 2 . . . . . 5 PHE HB3 . 51106 1 28 . 1 . 1 5 5 PHE C C 13 174.547 0.400 . 1 . . . . . 5 PHE C . 51106 1 29 . 1 . 1 5 5 PHE CA C 13 59.122 0.400 . 1 . . . . . 5 PHE CA . 51106 1 30 . 1 . 1 5 5 PHE CB C 13 38.668 0.400 . 1 . . . . . 5 PHE CB . 51106 1 31 . 1 . 1 5 5 PHE N N 15 119.578 0.400 . 1 . . . . . 5 PHE N . 51106 1 32 . 1 . 1 6 6 SER H H 1 8.381 0.020 . 1 . . . . . 6 SER H . 51106 1 33 . 1 . 1 6 6 SER HA H 1 3.800 0.020 . 1 . . . . . 6 SER HA . 51106 1 34 . 1 . 1 6 6 SER C C 13 173.779 0.400 . 1 . . . . . 6 SER C . 51106 1 35 . 1 . 1 6 6 SER CA C 13 59.750 0.400 . 1 . . . . . 6 SER CA . 51106 1 36 . 1 . 1 6 6 SER CB C 13 63.145 0.400 . 1 . . . . . 6 SER CB . 51106 1 37 . 1 . 1 6 6 SER N N 15 114.366 0.400 . 1 . . . . . 6 SER N . 51106 1 38 . 1 . 1 7 7 CYS H H 1 7.703 0.020 . 1 . . . . . 7 CYS H . 51106 1 39 . 1 . 1 7 7 CYS CA C 13 57.644 0.400 . 1 . . . . . 7 CYS CA . 51106 1 40 . 1 . 1 7 7 CYS CB C 13 28.311 0.400 . 1 . . . . . 7 CYS CB . 51106 1 41 . 1 . 1 7 7 CYS N N 15 125.001 0.400 . 1 . . . . . 7 CYS N . 51106 1 42 . 1 . 1 8 8 GLU HA H 1 3.484 0.020 . 1 . . . . . 8 GLU HA . 51106 1 43 . 1 . 1 8 8 GLU HB2 H 1 2.313 0.020 . 2 . . . . . 8 GLU HB2 . 51106 1 44 . 1 . 1 8 8 GLU HB3 H 1 1.931 0.020 . 2 . . . . . 8 GLU HB3 . 51106 1 45 . 1 . 1 8 8 GLU HG2 H 1 2.170 0.020 . 2 . . . . . 8 GLU HG2 . 51106 1 46 . 1 . 1 8 8 GLU C C 13 177.654 0.400 . 1 . . . . . 8 GLU C . 51106 1 47 . 1 . 1 8 8 GLU CA C 13 61.164 0.400 . 1 . . . . . 8 GLU CA . 51106 1 48 . 1 . 1 8 8 GLU CB C 13 30.484 0.400 . 1 . . . . . 8 GLU CB . 51106 1 49 . 1 . 1 8 8 GLU CG C 13 36.927 0.400 . 1 . . . . . 8 GLU CG . 51106 1 50 . 1 . 1 9 9 LEU H H 1 8.725 0.020 . 1 . . . . . 9 LEU H . 51106 1 51 . 1 . 1 9 9 LEU HA H 1 4.128 0.020 . 1 . . . . . 9 LEU HA . 51106 1 52 . 1 . 1 9 9 LEU HB2 H 1 1.888 0.020 . 2 . . . . . 9 LEU HB2 . 51106 1 53 . 1 . 1 9 9 LEU HB3 H 1 1.548 0.020 . 2 . . . . . 9 LEU HB3 . 51106 1 54 . 1 . 1 9 9 LEU HG H 1 0.891 0.020 . 1 . . . . . 9 LEU HG . 51106 1 55 . 1 . 1 9 9 LEU C C 13 179.997 0.400 . 1 . . . . . 9 LEU C . 51106 1 56 . 1 . 1 9 9 LEU CA C 13 58.320 0.400 . 1 . . . . . 9 LEU CA . 51106 1 57 . 1 . 1 9 9 LEU CB C 13 41.606 0.400 . 1 . . . . . 9 LEU CB . 51106 1 58 . 1 . 1 9 9 LEU CG C 13 24.305 0.400 . 1 . . . . . 9 LEU CG . 51106 1 59 . 1 . 1 9 9 LEU N N 15 120.847 0.400 . 1 . . . . . 9 LEU N . 51106 1 60 . 1 . 1 10 10 TYR H H 1 7.839 0.020 . 1 . . . . . 10 TYR H . 51106 1 61 . 1 . 1 10 10 TYR HA H 1 4.329 0.020 . 1 . . . . . 10 TYR HA . 51106 1 62 . 1 . 1 10 10 TYR HB2 H 1 3.118 0.020 . 2 . . . . . 10 TYR HB2 . 51106 1 63 . 1 . 1 10 10 TYR C C 13 180.277 0.400 . 1 . . . . . 10 TYR C . 51106 1 64 . 1 . 1 10 10 TYR CA C 13 60.907 0.400 . 1 . . . . . 10 TYR CA . 51106 1 65 . 1 . 1 10 10 TYR CB C 13 37.202 0.400 . 1 . . . . . 10 TYR CB . 51106 1 66 . 1 . 1 10 10 TYR N N 15 122.508 0.400 . 1 . . . . . 10 TYR N . 51106 1 67 . 1 . 1 11 11 ARG H H 1 8.540 0.020 . 1 . . . . . 11 ARG H . 51106 1 68 . 1 . 1 11 11 ARG HA H 1 4.026 0.020 . 1 . . . . . 11 ARG HA . 51106 1 69 . 1 . 1 11 11 ARG HB2 H 1 2.382 0.020 . 2 . . . . . 11 ARG HB2 . 51106 1 70 . 1 . 1 11 11 ARG HG2 H 1 1.304 0.020 . 2 . . . . . 11 ARG HG2 . 51106 1 71 . 1 . 1 11 11 ARG HD2 H 1 2.950 0.020 . 2 . . . . . 11 ARG HD2 . 51106 1 72 . 1 . 1 11 11 ARG C C 13 180.178 0.400 . 1 . . . . . 11 ARG C . 51106 1 73 . 1 . 1 11 11 ARG CA C 13 62.013 0.400 . 1 . . . . . 11 ARG CA . 51106 1 74 . 1 . 1 11 11 ARG CB C 13 29.985 0.400 . 1 . . . . . 11 ARG CB . 51106 1 75 . 1 . 1 11 11 ARG CD C 13 43.820 0.400 . 1 . . . . . 11 ARG CD . 51106 1 76 . 1 . 1 11 11 ARG N N 15 118.214 0.400 . 1 . . . . . 11 ARG N . 51106 1 77 . 1 . 1 12 12 MET H H 1 8.955 0.020 . 1 . . . . . 12 MET H . 51106 1 78 . 1 . 1 12 12 MET HA H 1 4.458 0.020 . 1 . . . . . 12 MET HA . 51106 1 79 . 1 . 1 12 12 MET HB2 H 1 2.295 0.020 . 2 . . . . . 12 MET HB2 . 51106 1 80 . 1 . 1 12 12 MET HG2 H 1 2.586 0.020 . 2 . . . . . 12 MET HG2 . 51106 1 81 . 1 . 1 12 12 MET C C 13 179.198 0.400 . 1 . . . . . 12 MET C . 51106 1 82 . 1 . 1 12 12 MET CA C 13 58.143 0.400 . 1 . . . . . 12 MET CA . 51106 1 83 . 1 . 1 12 12 MET CB C 13 31.367 0.400 . 1 . . . . . 12 MET CB . 51106 1 84 . 1 . 1 12 12 MET CG C 13 32.616 0.400 . 1 . . . . . 12 MET CG . 51106 1 85 . 1 . 1 12 12 MET N N 15 120.198 0.400 . 1 . . . . . 12 MET N . 51106 1 86 . 1 . 1 13 13 SER H H 1 7.885 0.020 . 1 . . . . . 13 SER H . 51106 1 87 . 1 . 1 13 13 SER HA H 1 4.366 0.020 . 1 . . . . . 13 SER HA . 51106 1 88 . 1 . 1 13 13 SER HB2 H 1 4.064 0.020 . 2 . . . . . 13 SER HB2 . 51106 1 89 . 1 . 1 13 13 SER C C 13 176.156 0.400 . 1 . . . . . 13 SER C . 51106 1 90 . 1 . 1 13 13 SER CA C 13 61.786 0.400 . 1 . . . . . 13 SER CA . 51106 1 91 . 1 . 1 13 13 SER CB C 13 62.743 0.400 . 1 . . . . . 13 SER CB . 51106 1 92 . 1 . 1 13 13 SER N N 15 117.454 0.400 . 1 . . . . . 13 SER N . 51106 1 93 . 1 . 1 14 14 THR H H 1 7.475 0.020 . 1 . . . . . 14 THR H . 51106 1 94 . 1 . 1 14 14 THR HA H 1 4.631 0.020 . 1 . . . . . 14 THR HA . 51106 1 95 . 1 . 1 14 14 THR HB H 1 4.414 0.020 . 1 . . . . . 14 THR HB . 51106 1 96 . 1 . 1 14 14 THR HG21 H 1 1.404 0.020 . 1 . . . . . 14 THR HG21 . 51106 1 97 . 1 . 1 14 14 THR HG22 H 1 1.404 0.020 . 1 . . . . . 14 THR HG22 . 51106 1 98 . 1 . 1 14 14 THR HG23 H 1 1.404 0.020 . 1 . . . . . 14 THR HG23 . 51106 1 99 . 1 . 1 14 14 THR C C 13 175.714 0.400 . 1 . . . . . 14 THR C . 51106 1 100 . 1 . 1 14 14 THR CA C 13 64.261 0.400 . 1 . . . . . 14 THR CA . 51106 1 101 . 1 . 1 14 14 THR CB C 13 69.998 0.400 . 1 . . . . . 14 THR CB . 51106 1 102 . 1 . 1 14 14 THR CG2 C 13 22.344 0.400 . 1 . . . . . 14 THR CG2 . 51106 1 103 . 1 . 1 14 14 THR N N 15 111.101 0.400 . 1 . . . . . 14 THR N . 51106 1 104 . 1 . 1 15 15 TYR H H 1 7.714 0.020 . 1 . . . . . 15 TYR H . 51106 1 105 . 1 . 1 15 15 TYR HA H 1 4.196 0.020 . 1 . . . . . 15 TYR HA . 51106 1 106 . 1 . 1 15 15 TYR HB2 H 1 3.178 0.020 . 2 . . . . . 15 TYR HB2 . 51106 1 107 . 1 . 1 15 15 TYR HB3 H 1 2.907 0.020 . 2 . . . . . 15 TYR HB3 . 51106 1 108 . 1 . 1 15 15 TYR C C 13 176.562 0.400 . 1 . . . . . 15 TYR C . 51106 1 109 . 1 . 1 15 15 TYR CA C 13 60.480 0.400 . 1 . . . . . 15 TYR CA . 51106 1 110 . 1 . 1 15 15 TYR CB C 13 36.688 0.400 . 1 . . . . . 15 TYR CB . 51106 1 111 . 1 . 1 15 15 TYR N N 15 117.049 0.400 . 1 . . . . . 15 TYR N . 51106 1 112 . 1 . 1 16 16 SER H H 1 7.764 0.020 . 1 . . . . . 16 SER H . 51106 1 113 . 1 . 1 16 16 SER HA H 1 4.166 0.020 . 1 . . . . . 16 SER HA . 51106 1 114 . 1 . 1 16 16 SER HB2 H 1 4.309 0.020 . 2 . . . . . 16 SER HB2 . 51106 1 115 . 1 . 1 16 16 SER C C 13 175.596 0.400 . 1 . . . . . 16 SER C . 51106 1 116 . 1 . 1 16 16 SER CA C 13 62.217 0.400 . 1 . . . . . 16 SER CA . 51106 1 117 . 1 . 1 16 16 SER N N 15 118.607 0.400 . 1 . . . . . 16 SER N . 51106 1 118 . 1 . 1 17 17 THR H H 1 7.226 0.020 . 1 . . . . . 17 THR H . 51106 1 119 . 1 . 1 17 17 THR HA H 1 4.815 0.020 . 1 . . . . . 17 THR HA . 51106 1 120 . 1 . 1 17 17 THR HB H 1 4.685 0.020 . 1 . . . . . 17 THR HB . 51106 1 121 . 1 . 1 17 17 THR HG21 H 1 1.274 0.020 . 1 . . . . . 17 THR HG21 . 51106 1 122 . 1 . 1 17 17 THR HG22 H 1 1.274 0.020 . 1 . . . . . 17 THR HG22 . 51106 1 123 . 1 . 1 17 17 THR HG23 H 1 1.274 0.020 . 1 . . . . . 17 THR HG23 . 51106 1 124 . 1 . 1 17 17 THR C C 13 173.984 0.400 . 1 . . . . . 17 THR C . 51106 1 125 . 1 . 1 17 17 THR CA C 13 60.531 0.400 . 1 . . . . . 17 THR CA . 51106 1 126 . 1 . 1 17 17 THR CB C 13 68.221 0.400 . 1 . . . . . 17 THR CB . 51106 1 127 . 1 . 1 17 17 THR CG2 C 13 21.963 0.400 . 1 . . . . . 17 THR CG2 . 51106 1 128 . 1 . 1 17 17 THR N N 15 107.016 0.400 . 1 . . . . . 17 THR N . 51106 1 129 . 1 . 1 18 18 PHE H H 1 7.591 0.020 . 1 . . . . . 18 PHE H . 51106 1 130 . 1 . 1 18 18 PHE CA C 13 55.964 0.400 . 1 . . . . . 18 PHE CA . 51106 1 131 . 1 . 1 18 18 PHE CB C 13 40.789 0.400 . 1 . . . . . 18 PHE CB . 51106 1 132 . 1 . 1 18 18 PHE N N 15 126.483 0.400 . 1 . . . . . 18 PHE N . 51106 1 133 . 1 . 1 19 19 PRO HA H 1 4.288 0.020 . 1 . . . . . 19 PRO HA . 51106 1 134 . 1 . 1 19 19 PRO HB2 H 1 2.157 0.020 . 2 . . . . . 19 PRO HB2 . 51106 1 135 . 1 . 1 19 19 PRO HB3 H 1 1.617 0.020 . 2 . . . . . 19 PRO HB3 . 51106 1 136 . 1 . 1 19 19 PRO HG2 H 1 1.395 0.020 . 2 . . . . . 19 PRO HG2 . 51106 1 137 . 1 . 1 19 19 PRO C C 13 175.550 0.400 . 1 . . . . . 19 PRO C . 51106 1 138 . 1 . 1 19 19 PRO CA C 13 63.062 0.400 . 1 . . . . . 19 PRO CA . 51106 1 139 . 1 . 1 19 19 PRO CB C 13 31.757 0.400 . 1 . . . . . 19 PRO CB . 51106 1 140 . 1 . 1 19 19 PRO CG C 13 27.211 0.400 . 1 . . . . . 19 PRO CG . 51106 1 141 . 1 . 1 19 19 PRO CD C 13 51.157 0.400 . 1 . . . . . 19 PRO CD . 51106 1 142 . 1 . 1 20 20 ALA H H 1 8.128 0.020 . 1 . . . . . 20 ALA H . 51106 1 143 . 1 . 1 20 20 ALA HA H 1 4.325 0.020 . 1 . . . . . 20 ALA HA . 51106 1 144 . 1 . 1 20 20 ALA HB1 H 1 1.401 0.020 . 1 . . . . . 20 ALA HB1 . 51106 1 145 . 1 . 1 20 20 ALA HB2 H 1 1.401 0.020 . 1 . . . . . 20 ALA HB2 . 51106 1 146 . 1 . 1 20 20 ALA HB3 H 1 1.401 0.020 . 1 . . . . . 20 ALA HB3 . 51106 1 147 . 1 . 1 20 20 ALA C C 13 179.235 0.400 . 1 . . . . . 20 ALA C . 51106 1 148 . 1 . 1 20 20 ALA CA C 13 52.241 0.400 . 1 . . . . . 20 ALA CA . 51106 1 149 . 1 . 1 20 20 ALA CB C 13 19.164 0.400 . 1 . . . . . 20 ALA CB . 51106 1 150 . 1 . 1 20 20 ALA N N 15 121.941 0.400 . 1 . . . . . 20 ALA N . 51106 1 151 . 1 . 1 21 21 GLY H H 1 8.504 0.020 . 1 . . . . . 21 GLY H . 51106 1 152 . 1 . 1 21 21 GLY HA2 H 1 3.991 0.020 . 2 . . . . . 21 GLY HA2 . 51106 1 153 . 1 . 1 21 21 GLY HA3 H 1 3.704 0.020 . 2 . . . . . 21 GLY HA3 . 51106 1 154 . 1 . 1 21 21 GLY C C 13 174.842 0.400 . 1 . . . . . 21 GLY C . 51106 1 155 . 1 . 1 21 21 GLY CA C 13 45.686 0.400 . 1 . . . . . 21 GLY CA . 51106 1 156 . 1 . 1 21 21 GLY N N 15 107.496 0.400 . 1 . . . . . 21 GLY N . 51106 1 157 . 1 . 1 22 22 VAL H H 1 8.200 0.020 . 1 . . . . . 22 VAL H . 51106 1 158 . 1 . 1 22 22 VAL C C 13 177.223 0.400 . 1 . . . . . 22 VAL C . 51106 1 159 . 1 . 1 22 22 VAL CA C 13 60.322 0.400 . 1 . . . . . 22 VAL CA . 51106 1 160 . 1 . 1 22 22 VAL CB C 13 32.162 0.400 . 1 . . . . . 22 VAL CB . 51106 1 161 . 1 . 1 22 22 VAL N N 15 125.049 0.400 . 1 . . . . . 22 VAL N . 51106 1 162 . 1 . 1 23 23 PRO HA H 1 4.590 0.020 . 1 . . . . . 23 PRO HA . 51106 1 163 . 1 . 1 23 23 PRO HB2 H 1 2.151 0.020 . 2 . . . . . 23 PRO HB2 . 51106 1 164 . 1 . 1 23 23 PRO HG2 H 1 1.585 0.020 . 2 . . . . . 23 PRO HG2 . 51106 1 165 . 1 . 1 23 23 PRO HD2 H 1 3.980 0.020 . 2 . . . . . 23 PRO HD2 . 51106 1 166 . 1 . 1 23 23 PRO C C 13 175.184 0.400 . 1 . . . . . 23 PRO C . 51106 1 167 . 1 . 1 23 23 PRO CA C 13 64.442 0.400 . 1 . . . . . 23 PRO CA . 51106 1 168 . 1 . 1 23 23 PRO CB C 13 30.849 0.400 . 1 . . . . . 23 PRO CB . 51106 1 169 . 1 . 1 23 23 PRO CG C 13 27.672 0.400 . 1 . . . . . 23 PRO CG . 51106 1 170 . 1 . 1 23 23 PRO CD C 13 51.147 0.400 . 1 . . . . . 23 PRO CD . 51106 1 171 . 1 . 1 24 24 VAL H H 1 7.057 0.020 . 1 . . . . . 24 VAL H . 51106 1 172 . 1 . 1 24 24 VAL HA H 1 4.306 0.020 . 1 . . . . . 24 VAL HA . 51106 1 173 . 1 . 1 24 24 VAL HB H 1 1.487 0.020 . 1 . . . . . 24 VAL HB . 51106 1 174 . 1 . 1 24 24 VAL HG21 H 1 0.583 0.020 . 2 . . . . . 24 VAL HG21 . 51106 1 175 . 1 . 1 24 24 VAL HG22 H 1 0.583 0.020 . 2 . . . . . 24 VAL HG22 . 51106 1 176 . 1 . 1 24 24 VAL HG23 H 1 0.583 0.020 . 2 . . . . . 24 VAL HG23 . 51106 1 177 . 1 . 1 24 24 VAL C C 13 173.785 0.400 . 1 . . . . . 24 VAL C . 51106 1 178 . 1 . 1 24 24 VAL CA C 13 60.115 0.400 . 1 . . . . . 24 VAL CA . 51106 1 179 . 1 . 1 24 24 VAL CB C 13 34.664 0.400 . 1 . . . . . 24 VAL CB . 51106 1 180 . 1 . 1 24 24 VAL CG1 C 13 21.878 0.400 . 2 . . . . . 24 VAL CG1 . 51106 1 181 . 1 . 1 24 24 VAL CG2 C 13 21.082 0.400 . 2 . . . . . 24 VAL CG2 . 51106 1 182 . 1 . 1 24 24 VAL N N 15 117.354 0.400 . 1 . . . . . 24 VAL N . 51106 1 183 . 1 . 1 25 25 SER H H 1 8.345 0.020 . 1 . . . . . 25 SER H . 51106 1 184 . 1 . 1 25 25 SER HA H 1 4.225 0.020 . 1 . . . . . 25 SER HA . 51106 1 185 . 1 . 1 25 25 SER HB2 H 1 3.930 0.020 . 2 . . . . . 25 SER HB2 . 51106 1 186 . 1 . 1 25 25 SER C C 13 175.064 0.400 . 1 . . . . . 25 SER C . 51106 1 187 . 1 . 1 25 25 SER CA C 13 57.551 0.400 . 1 . . . . . 25 SER CA . 51106 1 188 . 1 . 1 25 25 SER CB C 13 64.499 0.400 . 1 . . . . . 25 SER CB . 51106 1 189 . 1 . 1 25 25 SER N N 15 118.734 0.400 . 1 . . . . . 25 SER N . 51106 1 190 . 1 . 1 26 26 GLU H H 1 10.084 0.020 . 1 . . . . . 26 GLU H . 51106 1 191 . 1 . 1 26 26 GLU HB2 H 1 1.391 0.020 . 2 . . . . . 26 GLU HB2 . 51106 1 192 . 1 . 1 26 26 GLU HG2 H 1 2.163 0.020 . 2 . . . . . 26 GLU HG2 . 51106 1 193 . 1 . 1 26 26 GLU HG3 H 1 1.888 0.020 . 2 . . . . . 26 GLU HG3 . 51106 1 194 . 1 . 1 26 26 GLU C C 13 178.486 0.400 . 1 . . . . . 26 GLU C . 51106 1 195 . 1 . 1 26 26 GLU CA C 13 59.753 0.400 . 1 . . . . . 26 GLU CA . 51106 1 196 . 1 . 1 26 26 GLU CB C 13 27.724 0.400 . 1 . . . . . 26 GLU CB . 51106 1 197 . 1 . 1 26 26 GLU CG C 13 37.086 0.400 . 1 . . . . . 26 GLU CG . 51106 1 198 . 1 . 1 26 26 GLU N N 15 125.785 0.400 . 1 . . . . . 26 GLU N . 51106 1 199 . 1 . 1 27 27 ARG H H 1 8.002 0.020 . 1 . . . . . 27 ARG H . 51106 1 200 . 1 . 1 27 27 ARG HA H 1 4.011 0.020 . 1 . . . . . 27 ARG HA . 51106 1 201 . 1 . 1 27 27 ARG HB2 H 1 1.722 0.020 . 2 . . . . . 27 ARG HB2 . 51106 1 202 . 1 . 1 27 27 ARG HG2 H 1 1.644 0.020 . 2 . . . . . 27 ARG HG2 . 51106 1 203 . 1 . 1 27 27 ARG HD2 H 1 3.192 0.020 . 2 . . . . . 27 ARG HD2 . 51106 1 204 . 1 . 1 27 27 ARG C C 13 178.519 0.400 . 1 . . . . . 27 ARG C . 51106 1 205 . 1 . 1 27 27 ARG CA C 13 58.837 0.400 . 1 . . . . . 27 ARG CA . 51106 1 206 . 1 . 1 27 27 ARG CB C 13 29.329 0.400 . 1 . . . . . 27 ARG CB . 51106 1 207 . 1 . 1 27 27 ARG CG C 13 27.013 0.400 . 1 . . . . . 27 ARG CG . 51106 1 208 . 1 . 1 27 27 ARG CD C 13 42.728 0.400 . 1 . . . . . 27 ARG CD . 51106 1 209 . 1 . 1 27 27 ARG N N 15 117.337 0.400 . 1 . . . . . 27 ARG N . 51106 1 210 . 1 . 1 28 28 SER H H 1 7.643 0.020 . 1 . . . . . 28 SER H . 51106 1 211 . 1 . 1 28 28 SER HA H 1 4.130 0.020 . 1 . . . . . 28 SER HA . 51106 1 212 . 1 . 1 28 28 SER HB2 H 1 3.873 0.020 . 2 . . . . . 28 SER HB2 . 51106 1 213 . 1 . 1 28 28 SER C C 13 177.105 0.400 . 1 . . . . . 28 SER C . 51106 1 214 . 1 . 1 28 28 SER CA C 13 61.506 0.400 . 1 . . . . . 28 SER CA . 51106 1 215 . 1 . 1 28 28 SER CB C 13 62.385 0.400 . 1 . . . . . 28 SER CB . 51106 1 216 . 1 . 1 28 28 SER N N 15 116.112 0.400 . 1 . . . . . 28 SER N . 51106 1 217 . 1 . 1 29 29 LEU H H 1 7.466 0.020 . 1 . . . . . 29 LEU H . 51106 1 218 . 1 . 1 29 29 LEU HA H 1 3.787 0.020 . 1 . . . . . 29 LEU HA . 51106 1 219 . 1 . 1 29 29 LEU HB2 H 1 1.452 0.020 . 2 . . . . . 29 LEU HB2 . 51106 1 220 . 1 . 1 29 29 LEU C C 13 178.619 0.400 . 1 . . . . . 29 LEU C . 51106 1 221 . 1 . 1 29 29 LEU CA C 13 56.791 0.400 . 1 . . . . . 29 LEU CA . 51106 1 222 . 1 . 1 29 29 LEU CB C 13 40.213 0.400 . 1 . . . . . 29 LEU CB . 51106 1 223 . 1 . 1 29 29 LEU CG C 13 26.347 0.400 . 1 . . . . . 29 LEU CG . 51106 1 224 . 1 . 1 29 29 LEU CD1 C 13 24.198 0.400 . 2 . . . . . 29 LEU CD1 . 51106 1 225 . 1 . 1 29 29 LEU N N 15 124.031 0.400 . 1 . . . . . 29 LEU N . 51106 1 226 . 1 . 1 30 30 ALA H H 1 8.417 0.020 . 1 . . . . . 30 ALA H . 51106 1 227 . 1 . 1 30 30 ALA HA H 1 4.977 0.020 . 1 . . . . . 30 ALA HA . 51106 1 228 . 1 . 1 30 30 ALA HB1 H 1 1.465 0.020 . 1 . . . . . 30 ALA HB1 . 51106 1 229 . 1 . 1 30 30 ALA HB2 H 1 1.465 0.020 . 1 . . . . . 30 ALA HB2 . 51106 1 230 . 1 . 1 30 30 ALA HB3 H 1 1.465 0.020 . 1 . . . . . 30 ALA HB3 . 51106 1 231 . 1 . 1 30 30 ALA C C 13 183.687 0.400 . 1 . . . . . 30 ALA C . 51106 1 232 . 1 . 1 30 30 ALA CA C 13 54.929 0.400 . 1 . . . . . 30 ALA CA . 51106 1 233 . 1 . 1 30 30 ALA CB C 13 18.281 0.400 . 1 . . . . . 30 ALA CB . 51106 1 234 . 1 . 1 30 30 ALA N N 15 121.255 0.400 . 1 . . . . . 30 ALA N . 51106 1 235 . 1 . 1 31 31 ARG H H 1 8.730 0.020 . 1 . . . . . 31 ARG H . 51106 1 236 . 1 . 1 31 31 ARG HA H 1 4.221 0.020 . 1 . . . . . 31 ARG HA . 51106 1 237 . 1 . 1 31 31 ARG HB2 H 1 1.969 0.020 . 2 . . . . . 31 ARG HB2 . 51106 1 238 . 1 . 1 31 31 ARG HG2 H 1 1.765 0.020 . 2 . . . . . 31 ARG HG2 . 51106 1 239 . 1 . 1 31 31 ARG HD2 H 1 3.227 0.020 . 2 . . . . . 31 ARG HD2 . 51106 1 240 . 1 . 1 31 31 ARG C C 13 176.116 0.400 . 1 . . . . . 31 ARG C . 51106 1 241 . 1 . 1 31 31 ARG CA C 13 59.048 0.400 . 1 . . . . . 31 ARG CA . 51106 1 242 . 1 . 1 31 31 ARG CB C 13 29.913 0.400 . 1 . . . . . 31 ARG CB . 51106 1 243 . 1 . 1 31 31 ARG CG C 13 27.707 0.400 . 1 . . . . . 31 ARG CG . 51106 1 244 . 1 . 1 31 31 ARG CD C 13 43.337 0.400 . 1 . . . . . 31 ARG CD . 51106 1 245 . 1 . 1 31 31 ARG N N 15 122.053 0.400 . 1 . . . . . 31 ARG N . 51106 1 246 . 1 . 1 32 32 ALA H H 1 7.324 0.020 . 1 . . . . . 32 ALA H . 51106 1 247 . 1 . 1 32 32 ALA HA H 1 4.484 0.020 . 1 . . . . . 32 ALA HA . 51106 1 248 . 1 . 1 32 32 ALA HB1 H 1 1.753 0.020 . 1 . . . . . 32 ALA HB1 . 51106 1 249 . 1 . 1 32 32 ALA HB2 H 1 1.753 0.020 . 1 . . . . . 32 ALA HB2 . 51106 1 250 . 1 . 1 32 32 ALA HB3 H 1 1.753 0.020 . 1 . . . . . 32 ALA HB3 . 51106 1 251 . 1 . 1 32 32 ALA C C 13 174.460 0.400 . 1 . . . . . 32 ALA C . 51106 1 252 . 1 . 1 32 32 ALA CA C 13 51.724 0.400 . 1 . . . . . 32 ALA CA . 51106 1 253 . 1 . 1 32 32 ALA CB C 13 19.332 0.400 . 1 . . . . . 32 ALA CB . 51106 1 254 . 1 . 1 32 32 ALA N N 15 117.205 0.400 . 1 . . . . . 32 ALA N . 51106 1 255 . 1 . 1 33 33 GLY H H 1 7.428 0.020 . 1 . . . . . 33 GLY H . 51106 1 256 . 1 . 1 33 33 GLY HA2 H 1 4.099 0.020 . 2 . . . . . 33 GLY HA2 . 51106 1 257 . 1 . 1 33 33 GLY HA3 H 1 2.836 0.020 . 2 . . . . . 33 GLY HA3 . 51106 1 258 . 1 . 1 33 33 GLY C C 13 172.055 0.400 . 1 . . . . . 33 GLY C . 51106 1 259 . 1 . 1 33 33 GLY CA C 13 45.222 0.400 . 1 . . . . . 33 GLY CA . 51106 1 260 . 1 . 1 33 33 GLY N N 15 103.113 0.400 . 1 . . . . . 33 GLY N . 51106 1 261 . 1 . 1 34 34 PHE H H 1 7.854 0.020 . 1 . . . . . 34 PHE H . 51106 1 262 . 1 . 1 34 34 PHE HA H 1 5.182 0.020 . 1 . . . . . 34 PHE HA . 51106 1 263 . 1 . 1 34 34 PHE HB2 H 1 2.740 0.020 . 2 . . . . . 34 PHE HB2 . 51106 1 264 . 1 . 1 34 34 PHE C C 13 178.434 0.400 . 1 . . . . . 34 PHE C . 51106 1 265 . 1 . 1 34 34 PHE CA C 13 57.778 0.400 . 1 . . . . . 34 PHE CA . 51106 1 266 . 1 . 1 34 34 PHE CB C 13 39.941 0.400 . 1 . . . . . 34 PHE CB . 51106 1 267 . 1 . 1 34 34 PHE N N 15 116.531 0.400 . 1 . . . . . 34 PHE N . 51106 1 268 . 1 . 1 35 35 TYR H H 1 9.582 0.020 . 1 . . . . . 35 TYR H . 51106 1 269 . 1 . 1 35 35 TYR HA H 1 4.984 0.020 . 1 . . . . . 35 TYR HA . 51106 1 270 . 1 . 1 35 35 TYR HB2 H 1 3.301 0.020 . 2 . . . . . 35 TYR HB2 . 51106 1 271 . 1 . 1 35 35 TYR HB3 H 1 2.406 0.020 . 2 . . . . . 35 TYR HB3 . 51106 1 272 . 1 . 1 35 35 TYR C C 13 172.448 0.400 . 1 . . . . . 35 TYR C . 51106 1 273 . 1 . 1 35 35 TYR CA C 13 54.728 0.400 . 1 . . . . . 35 TYR CA . 51106 1 274 . 1 . 1 35 35 TYR CB C 13 41.468 0.400 . 1 . . . . . 35 TYR CB . 51106 1 275 . 1 . 1 35 35 TYR N N 15 124.432 0.400 . 1 . . . . . 35 TYR N . 51106 1 276 . 1 . 1 36 36 TYR H H 1 8.335 0.020 . 1 . . . . . 36 TYR H . 51106 1 277 . 1 . 1 36 36 TYR HA H 1 4.694 0.020 . 1 . . . . . 36 TYR HA . 51106 1 278 . 1 . 1 36 36 TYR HB2 H 1 2.441 0.020 . 2 . . . . . 36 TYR HB2 . 51106 1 279 . 1 . 1 36 36 TYR HB3 H 1 1.714 0.020 . 2 . . . . . 36 TYR HB3 . 51106 1 280 . 1 . 1 36 36 TYR C C 13 176.017 0.400 . 1 . . . . . 36 TYR C . 51106 1 281 . 1 . 1 36 36 TYR CA C 13 55.652 0.400 . 1 . . . . . 36 TYR CA . 51106 1 282 . 1 . 1 36 36 TYR CB C 13 35.974 0.400 . 1 . . . . . 36 TYR CB . 51106 1 283 . 1 . 1 36 36 TYR N N 15 120.310 0.400 . 1 . . . . . 36 TYR N . 51106 1 284 . 1 . 1 37 37 THR H H 1 7.745 0.020 . 1 . . . . . 37 THR H . 51106 1 285 . 1 . 1 37 37 THR C C 13 175.227 0.400 . 1 . . . . . 37 THR C . 51106 1 286 . 1 . 1 37 37 THR CA C 13 63.313 0.400 . 1 . . . . . 37 THR CA . 51106 1 287 . 1 . 1 37 37 THR CB C 13 70.694 0.400 . 1 . . . . . 37 THR CB . 51106 1 288 . 1 . 1 37 37 THR N N 15 117.309 0.400 . 1 . . . . . 37 THR N . 51106 1 289 . 1 . 1 38 38 GLY HA2 H 1 4.133 0.020 . 2 . . . . . 38 GLY HA2 . 51106 1 290 . 1 . 1 38 38 GLY HA3 H 1 2.906 0.020 . 2 . . . . . 38 GLY HA3 . 51106 1 291 . 1 . 1 38 38 GLY C C 13 172.491 0.400 . 1 . . . . . 38 GLY C . 51106 1 292 . 1 . 1 38 38 GLY CA C 13 46.020 0.400 . 1 . . . . . 38 GLY CA . 51106 1 293 . 1 . 1 39 39 VAL H H 1 6.958 0.020 . 1 . . . . . 39 VAL H . 51106 1 294 . 1 . 1 39 39 VAL HA H 1 4.304 0.020 . 1 . . . . . 39 VAL HA . 51106 1 295 . 1 . 1 39 39 VAL HB H 1 1.842 0.020 . 1 . . . . . 39 VAL HB . 51106 1 296 . 1 . 1 39 39 VAL HG21 H 1 0.848 0.020 . 2 . . . . . 39 VAL HG21 . 51106 1 297 . 1 . 1 39 39 VAL HG22 H 1 0.848 0.020 . 2 . . . . . 39 VAL HG22 . 51106 1 298 . 1 . 1 39 39 VAL HG23 H 1 0.848 0.020 . 2 . . . . . 39 VAL HG23 . 51106 1 299 . 1 . 1 39 39 VAL C C 13 173.513 0.400 . 1 . . . . . 39 VAL C . 51106 1 300 . 1 . 1 39 39 VAL CA C 13 60.428 0.400 . 1 . . . . . 39 VAL CA . 51106 1 301 . 1 . 1 39 39 VAL CB C 13 34.346 0.400 . 1 . . . . . 39 VAL CB . 51106 1 302 . 1 . 1 39 39 VAL CG1 C 13 20.565 0.400 . 2 . . . . . 39 VAL CG1 . 51106 1 303 . 1 . 1 39 39 VAL N N 15 118.480 0.400 . 1 . . . . . 39 VAL N . 51106 1 304 . 1 . 1 40 40 ASN H H 1 9.237 0.020 . 1 . . . . . 40 ASN H . 51106 1 305 . 1 . 1 40 40 ASN HA H 1 4.352 0.020 . 1 . . . . . 40 ASN HA . 51106 1 306 . 1 . 1 40 40 ASN HB2 H 1 3.068 0.020 . 2 . . . . . 40 ASN HB2 . 51106 1 307 . 1 . 1 40 40 ASN HD21 H 1 7.820 0.020 . 2 . . . . . 40 ASN HD21 . 51106 1 308 . 1 . 1 40 40 ASN HD22 H 1 6.939 0.020 . 2 . . . . . 40 ASN HD22 . 51106 1 309 . 1 . 1 40 40 ASN C C 13 172.332 0.400 . 1 . . . . . 40 ASN C . 51106 1 310 . 1 . 1 40 40 ASN CA C 13 54.501 0.400 . 1 . . . . . 40 ASN CA . 51106 1 311 . 1 . 1 40 40 ASN CB C 13 36.902 0.400 . 1 . . . . . 40 ASN CB . 51106 1 312 . 1 . 1 40 40 ASN N N 15 123.076 0.400 . 1 . . . . . 40 ASN N . 51106 1 313 . 1 . 1 40 40 ASN ND2 N 15 112.371 0.400 . 1 . . . . . 40 ASN ND2 . 51106 1 314 . 1 . 1 41 41 ASP H H 1 8.332 0.020 . 1 . . . . . 41 ASP H . 51106 1 315 . 1 . 1 41 41 ASP HA H 1 4.799 0.020 . 1 . . . . . 41 ASP HA . 51106 1 316 . 1 . 1 41 41 ASP HB2 H 1 3.128 0.020 . 2 . . . . . 41 ASP HB2 . 51106 1 317 . 1 . 1 41 41 ASP HB3 H 1 2.263 0.020 . 2 . . . . . 41 ASP HB3 . 51106 1 318 . 1 . 1 41 41 ASP C C 13 174.778 0.400 . 1 . . . . . 41 ASP C . 51106 1 319 . 1 . 1 41 41 ASP CA C 13 52.221 0.400 . 1 . . . . . 41 ASP CA . 51106 1 320 . 1 . 1 41 41 ASP CB C 13 40.487 0.400 . 1 . . . . . 41 ASP CB . 51106 1 321 . 1 . 1 41 41 ASP N N 15 124.479 0.400 . 1 . . . . . 41 ASP N . 51106 1 322 . 1 . 1 42 42 LYS H H 1 8.666 0.020 . 1 . . . . . 42 LYS H . 51106 1 323 . 1 . 1 42 42 LYS HA H 1 4.923 0.020 . 1 . . . . . 42 LYS HA . 51106 1 324 . 1 . 1 42 42 LYS HB2 H 1 2.151 0.020 . 2 . . . . . 42 LYS HB2 . 51106 1 325 . 1 . 1 42 42 LYS HB3 H 1 1.932 0.020 . 2 . . . . . 42 LYS HB3 . 51106 1 326 . 1 . 1 42 42 LYS HG2 H 1 1.689 0.020 . 2 . . . . . 42 LYS HG2 . 51106 1 327 . 1 . 1 42 42 LYS HG3 H 1 1.367 0.020 . 2 . . . . . 42 LYS HG3 . 51106 1 328 . 1 . 1 42 42 LYS C C 13 177.522 0.400 . 1 . . . . . 42 LYS C . 51106 1 329 . 1 . 1 42 42 LYS CA C 13 57.291 0.400 . 1 . . . . . 42 LYS CA . 51106 1 330 . 1 . 1 42 42 LYS CB C 13 32.476 0.400 . 1 . . . . . 42 LYS CB . 51106 1 331 . 1 . 1 42 42 LYS CG C 13 25.076 0.400 . 1 . . . . . 42 LYS CG . 51106 1 332 . 1 . 1 42 42 LYS CD C 13 29.760 0.400 . 1 . . . . . 42 LYS CD . 51106 1 333 . 1 . 1 42 42 LYS N N 15 119.226 0.400 . 1 . . . . . 42 LYS N . 51106 1 334 . 1 . 1 43 43 VAL H H 1 9.333 0.020 . 1 . . . . . 43 VAL H . 51106 1 335 . 1 . 1 43 43 VAL HA H 1 5.373 0.020 . 1 . . . . . 43 VAL HA . 51106 1 336 . 1 . 1 43 43 VAL HB H 1 2.280 0.020 . 1 . . . . . 43 VAL HB . 51106 1 337 . 1 . 1 43 43 VAL HG11 H 1 0.706 0.020 . 2 . . . . . 43 VAL HG11 . 51106 1 338 . 1 . 1 43 43 VAL HG12 H 1 0.706 0.020 . 2 . . . . . 43 VAL HG12 . 51106 1 339 . 1 . 1 43 43 VAL HG13 H 1 0.706 0.020 . 2 . . . . . 43 VAL HG13 . 51106 1 340 . 1 . 1 43 43 VAL HG21 H 1 1.210 0.020 . 2 . . . . . 43 VAL HG21 . 51106 1 341 . 1 . 1 43 43 VAL HG22 H 1 1.210 0.020 . 2 . . . . . 43 VAL HG22 . 51106 1 342 . 1 . 1 43 43 VAL HG23 H 1 1.210 0.020 . 2 . . . . . 43 VAL HG23 . 51106 1 343 . 1 . 1 43 43 VAL C C 13 173.486 0.400 . 1 . . . . . 43 VAL C . 51106 1 344 . 1 . 1 43 43 VAL CA C 13 58.902 0.400 . 1 . . . . . 43 VAL CA . 51106 1 345 . 1 . 1 43 43 VAL CB C 13 34.744 0.400 . 1 . . . . . 43 VAL CB . 51106 1 346 . 1 . 1 43 43 VAL CG1 C 13 22.516 0.400 . 2 . . . . . 43 VAL CG1 . 51106 1 347 . 1 . 1 43 43 VAL CG2 C 13 20.480 0.400 . 2 . . . . . 43 VAL CG2 . 51106 1 348 . 1 . 1 43 43 VAL N N 15 124.453 0.400 . 1 . . . . . 43 VAL N . 51106 1 349 . 1 . 1 44 44 LYS H H 1 8.669 0.020 . 1 . . . . . 44 LYS H . 51106 1 350 . 1 . 1 44 44 LYS HA H 1 5.590 0.020 . 1 . . . . . 44 LYS HA . 51106 1 351 . 1 . 1 44 44 LYS HG2 H 1 0.926 0.020 . 2 . . . . . 44 LYS HG2 . 51106 1 352 . 1 . 1 44 44 LYS HE2 H 1 3.001 0.020 . 2 . . . . . 44 LYS HE2 . 51106 1 353 . 1 . 1 44 44 LYS C C 13 174.717 0.400 . 1 . . . . . 44 LYS C . 51106 1 354 . 1 . 1 44 44 LYS CA C 13 54.002 0.400 . 1 . . . . . 44 LYS CA . 51106 1 355 . 1 . 1 44 44 LYS CB C 13 38.228 0.400 . 1 . . . . . 44 LYS CB . 51106 1 356 . 1 . 1 44 44 LYS CG C 13 24.839 0.400 . 1 . . . . . 44 LYS CG . 51106 1 357 . 1 . 1 44 44 LYS CD C 13 30.131 0.400 . 1 . . . . . 44 LYS CD . 51106 1 358 . 1 . 1 44 44 LYS CE C 13 42.282 0.400 . 1 . . . . . 44 LYS CE . 51106 1 359 . 1 . 1 44 44 LYS N N 15 120.743 0.400 . 1 . . . . . 44 LYS N . 51106 1 360 . 1 . 1 45 45 CYS H H 1 8.881 0.020 . 1 . . . . . 45 CYS H . 51106 1 361 . 1 . 1 45 45 CYS HA H 1 4.460 0.020 . 1 . . . . . 45 CYS HA . 51106 1 362 . 1 . 1 45 45 CYS HB2 H 1 3.040 0.020 . 2 . . . . . 45 CYS HB2 . 51106 1 363 . 1 . 1 45 45 CYS HB3 H 1 1.977 0.020 . 2 . . . . . 45 CYS HB3 . 51106 1 364 . 1 . 1 45 45 CYS C C 13 178.717 0.400 . 1 . . . . . 45 CYS C . 51106 1 365 . 1 . 1 45 45 CYS CA C 13 58.665 0.400 . 1 . . . . . 45 CYS CA . 51106 1 366 . 1 . 1 45 45 CYS CB C 13 31.081 0.400 . 1 . . . . . 45 CYS CB . 51106 1 367 . 1 . 1 45 45 CYS N N 15 128.146 0.400 . 1 . . . . . 45 CYS N . 51106 1 368 . 1 . 1 46 46 PHE H H 1 8.250 0.020 . 1 . . . . . 46 PHE H . 51106 1 369 . 1 . 1 46 46 PHE HA H 1 4.549 0.020 . 1 . . . . . 46 PHE HA . 51106 1 370 . 1 . 1 46 46 PHE HB2 H 1 3.325 0.020 . 2 . . . . . 46 PHE HB2 . 51106 1 371 . 1 . 1 46 46 PHE HB3 H 1 2.852 0.020 . 2 . . . . . 46 PHE HB3 . 51106 1 372 . 1 . 1 46 46 PHE C C 13 172.493 0.400 . 1 . . . . . 46 PHE C . 51106 1 373 . 1 . 1 46 46 PHE CA C 13 59.852 0.400 . 1 . . . . . 46 PHE CA . 51106 1 374 . 1 . 1 46 46 PHE CB C 13 39.935 0.400 . 1 . . . . . 46 PHE CB . 51106 1 375 . 1 . 1 46 46 PHE N N 15 128.539 0.400 . 1 . . . . . 46 PHE N . 51106 1 376 . 1 . 1 47 47 CYS H H 1 9.195 0.020 . 1 . . . . . 47 CYS H . 51106 1 377 . 1 . 1 47 47 CYS HA H 1 3.989 0.020 . 1 . . . . . 47 CYS HA . 51106 1 378 . 1 . 1 47 47 CYS HB2 H 1 2.371 0.020 . 2 . . . . . 47 CYS HB2 . 51106 1 379 . 1 . 1 47 47 CYS C C 13 175.342 0.400 . 1 . . . . . 47 CYS C . 51106 1 380 . 1 . 1 47 47 CYS CA C 13 60.264 0.400 . 1 . . . . . 47 CYS CA . 51106 1 381 . 1 . 1 47 47 CYS CB C 13 26.945 0.400 . 1 . . . . . 47 CYS CB . 51106 1 382 . 1 . 1 47 47 CYS N N 15 127.014 0.400 . 1 . . . . . 47 CYS N . 51106 1 383 . 1 . 1 48 48 CYS H H 1 8.571 0.020 . 1 . . . . . 48 CYS H . 51106 1 384 . 1 . 1 48 48 CYS HA H 1 4.717 0.020 . 1 . . . . . 48 CYS HA . 51106 1 385 . 1 . 1 48 48 CYS HB2 H 1 2.517 0.020 . 2 . . . . . 48 CYS HB2 . 51106 1 386 . 1 . 1 48 48 CYS C C 13 177.141 0.400 . 1 . . . . . 48 CYS C . 51106 1 387 . 1 . 1 48 48 CYS CA C 13 59.085 0.400 . 1 . . . . . 48 CYS CA . 51106 1 388 . 1 . 1 48 48 CYS CB C 13 32.751 0.400 . 1 . . . . . 48 CYS CB . 51106 1 389 . 1 . 1 48 48 CYS N N 15 119.698 0.400 . 1 . . . . . 48 CYS N . 51106 1 390 . 1 . 1 49 49 GLY H H 1 7.110 0.020 . 1 . . . . . 49 GLY H . 51106 1 391 . 1 . 1 49 49 GLY HA2 H 1 4.098 0.020 . 2 . . . . . 49 GLY HA2 . 51106 1 392 . 1 . 1 49 49 GLY HA3 H 1 3.717 0.020 . 2 . . . . . 49 GLY HA3 . 51106 1 393 . 1 . 1 49 49 GLY C C 13 173.058 0.400 . 1 . . . . . 49 GLY C . 51106 1 394 . 1 . 1 49 49 GLY CA C 13 46.099 0.400 . 1 . . . . . 49 GLY CA . 51106 1 395 . 1 . 1 49 49 GLY N N 15 110.902 0.400 . 1 . . . . . 49 GLY N . 51106 1 396 . 1 . 1 50 50 LEU H H 1 8.805 0.020 . 1 . . . . . 50 LEU H . 51106 1 397 . 1 . 1 50 50 LEU HA H 1 4.053 0.020 . 1 . . . . . 50 LEU HA . 51106 1 398 . 1 . 1 50 50 LEU HB2 H 1 1.965 0.020 . 2 . . . . . 50 LEU HB2 . 51106 1 399 . 1 . 1 50 50 LEU C C 13 175.215 0.400 . 1 . . . . . 50 LEU C . 51106 1 400 . 1 . 1 50 50 LEU CA C 13 56.989 0.400 . 1 . . . . . 50 LEU CA . 51106 1 401 . 1 . 1 50 50 LEU CB C 13 43.523 0.400 . 1 . . . . . 50 LEU CB . 51106 1 402 . 1 . 1 50 50 LEU CG C 13 28.859 0.400 . 1 . . . . . 50 LEU CG . 51106 1 403 . 1 . 1 50 50 LEU CD1 C 13 23.122 0.400 . 2 . . . . . 50 LEU CD1 . 51106 1 404 . 1 . 1 50 50 LEU N N 15 125.652 0.400 . 1 . . . . . 50 LEU N . 51106 1 405 . 1 . 1 51 51 MET H H 1 8.349 0.020 . 1 . . . . . 51 MET H . 51106 1 406 . 1 . 1 51 51 MET HA H 1 5.674 0.020 . 1 . . . . . 51 MET HA . 51106 1 407 . 1 . 1 51 51 MET HB2 H 1 1.896 0.020 . 2 . . . . . 51 MET HB2 . 51106 1 408 . 1 . 1 51 51 MET HG2 H 1 2.684 0.020 . 2 . . . . . 51 MET HG2 . 51106 1 409 . 1 . 1 51 51 MET HG3 H 1 2.204 0.020 . 2 . . . . . 51 MET HG3 . 51106 1 410 . 1 . 1 51 51 MET C C 13 175.371 0.400 . 1 . . . . . 51 MET C . 51106 1 411 . 1 . 1 51 51 MET CA C 13 53.743 0.400 . 1 . . . . . 51 MET CA . 51106 1 412 . 1 . 1 51 51 MET CB C 13 35.261 0.400 . 1 . . . . . 51 MET CB . 51106 1 413 . 1 . 1 51 51 MET CG C 13 31.782 0.400 . 1 . . . . . 51 MET CG . 51106 1 414 . 1 . 1 51 51 MET N N 15 125.838 0.400 . 1 . . . . . 51 MET N . 51106 1 415 . 1 . 1 52 52 LEU H H 1 8.239 0.020 . 1 . . . . . 52 LEU H . 51106 1 416 . 1 . 1 52 52 LEU HA H 1 4.561 0.020 . 1 . . . . . 52 LEU HA . 51106 1 417 . 1 . 1 52 52 LEU HB2 H 1 0.986 0.020 . 2 . . . . . 52 LEU HB2 . 51106 1 418 . 1 . 1 52 52 LEU HB3 H 1 0.839 0.020 . 2 . . . . . 52 LEU HB3 . 51106 1 419 . 1 . 1 52 52 LEU HD11 H 1 0.746 0.020 . 2 . . . . . 52 LEU HD11 . 51106 1 420 . 1 . 1 52 52 LEU HD12 H 1 0.746 0.020 . 2 . . . . . 52 LEU HD12 . 51106 1 421 . 1 . 1 52 52 LEU HD13 H 1 0.746 0.020 . 2 . . . . . 52 LEU HD13 . 51106 1 422 . 1 . 1 52 52 LEU C C 13 174.318 0.400 . 1 . . . . . 52 LEU C . 51106 1 423 . 1 . 1 52 52 LEU CA C 13 53.374 0.400 . 1 . . . . . 52 LEU CA . 51106 1 424 . 1 . 1 52 52 LEU CB C 13 47.903 0.400 . 1 . . . . . 52 LEU CB . 51106 1 425 . 1 . 1 52 52 LEU CG C 13 27.465 0.400 . 1 . . . . . 52 LEU CG . 51106 1 426 . 1 . 1 52 52 LEU N N 15 122.737 0.400 . 1 . . . . . 52 LEU N . 51106 1 427 . 1 . 1 53 53 ASP H H 1 7.688 0.020 . 1 . . . . . 53 ASP H . 51106 1 428 . 1 . 1 53 53 ASP HA H 1 4.424 0.020 . 1 . . . . . 53 ASP HA . 51106 1 429 . 1 . 1 53 53 ASP HB2 H 1 3.063 0.020 . 2 . . . . . 53 ASP HB2 . 51106 1 430 . 1 . 1 53 53 ASP HB3 H 1 2.432 0.020 . 2 . . . . . 53 ASP HB3 . 51106 1 431 . 1 . 1 53 53 ASP C C 13 174.790 0.400 . 1 . . . . . 53 ASP C . 51106 1 432 . 1 . 1 53 53 ASP CA C 13 51.754 0.400 . 1 . . . . . 53 ASP CA . 51106 1 433 . 1 . 1 53 53 ASP CB C 13 43.593 0.400 . 1 . . . . . 53 ASP CB . 51106 1 434 . 1 . 1 53 53 ASP N N 15 121.318 0.400 . 1 . . . . . 53 ASP N . 51106 1 435 . 1 . 1 54 54 ASN H H 1 10.313 0.020 . 1 . . . . . 54 ASN H . 51106 1 436 . 1 . 1 54 54 ASN HA H 1 4.348 0.020 . 1 . . . . . 54 ASN HA . 51106 1 437 . 1 . 1 54 54 ASN HB2 H 1 2.836 0.020 . 2 . . . . . 54 ASN HB2 . 51106 1 438 . 1 . 1 54 54 ASN HB3 H 1 2.474 0.020 . 2 . . . . . 54 ASN HB3 . 51106 1 439 . 1 . 1 54 54 ASN HD21 H 1 7.319 0.020 . 2 . . . . . 54 ASN HD21 . 51106 1 440 . 1 . 1 54 54 ASN HD22 H 1 6.759 0.020 . 2 . . . . . 54 ASN HD22 . 51106 1 441 . 1 . 1 54 54 ASN C C 13 175.148 0.400 . 1 . . . . . 54 ASN C . 51106 1 442 . 1 . 1 54 54 ASN CA C 13 53.275 0.400 . 1 . . . . . 54 ASN CA . 51106 1 443 . 1 . 1 54 54 ASN CB C 13 36.595 0.400 . 1 . . . . . 54 ASN CB . 51106 1 444 . 1 . 1 54 54 ASN N N 15 120.580 0.400 . 1 . . . . . 54 ASN N . 51106 1 445 . 1 . 1 54 54 ASN ND2 N 15 112.715 0.400 . 1 . . . . . 54 ASN ND2 . 51106 1 446 . 1 . 1 55 55 TRP H H 1 8.350 0.020 . 1 . . . . . 55 TRP H . 51106 1 447 . 1 . 1 55 55 TRP HA H 1 3.992 0.020 . 1 . . . . . 55 TRP HA . 51106 1 448 . 1 . 1 55 55 TRP HB2 H 1 3.021 0.020 . 2 . . . . . 55 TRP HB2 . 51106 1 449 . 1 . 1 55 55 TRP C C 13 176.418 0.400 . 1 . . . . . 55 TRP C . 51106 1 450 . 1 . 1 55 55 TRP CA C 13 58.215 0.400 . 1 . . . . . 55 TRP CA . 51106 1 451 . 1 . 1 55 55 TRP CB C 13 29.419 0.400 . 1 . . . . . 55 TRP CB . 51106 1 452 . 1 . 1 55 55 TRP N N 15 119.504 0.400 . 1 . . . . . 55 TRP N . 51106 1 453 . 1 . 1 56 56 LYS H H 1 9.075 0.020 . 1 . . . . . 56 LYS H . 51106 1 454 . 1 . 1 56 56 LYS HA H 1 4.665 0.020 . 1 . . . . . 56 LYS HA . 51106 1 455 . 1 . 1 56 56 LYS HB2 H 1 1.802 0.020 . 2 . . . . . 56 LYS HB2 . 51106 1 456 . 1 . 1 56 56 LYS HD2 H 1 1.491 0.020 . 2 . . . . . 56 LYS HD2 . 51106 1 457 . 1 . 1 56 56 LYS HE2 H 1 3.000 0.020 . 2 . . . . . 56 LYS HE2 . 51106 1 458 . 1 . 1 56 56 LYS C C 13 175.641 0.400 . 1 . . . . . 56 LYS C . 51106 1 459 . 1 . 1 56 56 LYS CA C 13 54.005 0.400 . 1 . . . . . 56 LYS CA . 51106 1 460 . 1 . 1 56 56 LYS CB C 13 35.707 0.400 . 1 . . . . . 56 LYS CB . 51106 1 461 . 1 . 1 56 56 LYS CG C 13 24.218 0.400 . 1 . . . . . 56 LYS CG . 51106 1 462 . 1 . 1 56 56 LYS CD C 13 28.767 0.400 . 1 . . . . . 56 LYS CD . 51106 1 463 . 1 . 1 56 56 LYS CE C 13 42.285 0.400 . 1 . . . . . 56 LYS CE . 51106 1 464 . 1 . 1 56 56 LYS N N 15 123.062 0.400 . 1 . . . . . 56 LYS N . 51106 1 465 . 1 . 1 57 57 LEU H H 1 8.429 0.020 . 1 . . . . . 57 LEU H . 51106 1 466 . 1 . 1 57 57 LEU HA H 1 4.066 0.020 . 1 . . . . . 57 LEU HA . 51106 1 467 . 1 . 1 57 57 LEU HB2 H 1 1.645 0.020 . 2 . . . . . 57 LEU HB2 . 51106 1 468 . 1 . 1 57 57 LEU HD11 H 1 0.998 0.020 . 2 . . . . . 57 LEU HD11 . 51106 1 469 . 1 . 1 57 57 LEU HD12 H 1 0.998 0.020 . 2 . . . . . 57 LEU HD12 . 51106 1 470 . 1 . 1 57 57 LEU HD13 H 1 0.998 0.020 . 2 . . . . . 57 LEU HD13 . 51106 1 471 . 1 . 1 57 57 LEU C C 13 178.092 0.400 . 1 . . . . . 57 LEU C . 51106 1 472 . 1 . 1 57 57 LEU CA C 13 57.154 0.400 . 1 . . . . . 57 LEU CA . 51106 1 473 . 1 . 1 57 57 LEU CB C 13 41.820 0.400 . 1 . . . . . 57 LEU CB . 51106 1 474 . 1 . 1 57 57 LEU CG C 13 27.067 0.400 . 1 . . . . . 57 LEU CG . 51106 1 475 . 1 . 1 57 57 LEU CD1 C 13 25.423 0.400 . 2 . . . . . 57 LEU CD1 . 51106 1 476 . 1 . 1 57 57 LEU CD2 C 13 23.901 0.400 . 2 . . . . . 57 LEU CD2 . 51106 1 477 . 1 . 1 57 57 LEU N N 15 121.679 0.400 . 1 . . . . . 57 LEU N . 51106 1 478 . 1 . 1 58 58 GLY H H 1 9.225 0.020 . 1 . . . . . 58 GLY H . 51106 1 479 . 1 . 1 58 58 GLY HA2 H 1 4.399 0.020 . 2 . . . . . 58 GLY HA2 . 51106 1 480 . 1 . 1 58 58 GLY HA3 H 1 3.665 0.020 . 2 . . . . . 58 GLY HA3 . 51106 1 481 . 1 . 1 58 58 GLY C C 13 174.893 0.400 . 1 . . . . . 58 GLY C . 51106 1 482 . 1 . 1 58 58 GLY CA C 13 44.738 0.400 . 1 . . . . . 58 GLY CA . 51106 1 483 . 1 . 1 58 58 GLY N N 15 116.234 0.400 . 1 . . . . . 58 GLY N . 51106 1 484 . 1 . 1 59 59 ASP H H 1 8.322 0.020 . 1 . . . . . 59 ASP H . 51106 1 485 . 1 . 1 59 59 ASP HA H 1 4.662 0.020 . 1 . . . . . 59 ASP HA . 51106 1 486 . 1 . 1 59 59 ASP HB2 H 1 3.350 0.020 . 2 . . . . . 59 ASP HB2 . 51106 1 487 . 1 . 1 59 59 ASP HB3 H 1 2.536 0.020 . 2 . . . . . 59 ASP HB3 . 51106 1 488 . 1 . 1 59 59 ASP C C 13 176.155 0.400 . 1 . . . . . 59 ASP C . 51106 1 489 . 1 . 1 59 59 ASP CA C 13 55.312 0.400 . 1 . . . . . 59 ASP CA . 51106 1 490 . 1 . 1 59 59 ASP CB C 13 42.347 0.400 . 1 . . . . . 59 ASP CB . 51106 1 491 . 1 . 1 59 59 ASP N N 15 122.068 0.400 . 1 . . . . . 59 ASP N . 51106 1 492 . 1 . 1 60 60 SER H H 1 8.996 0.020 . 1 . . . . . 60 SER H . 51106 1 493 . 1 . 1 60 60 SER C C 13 174.372 0.400 . 1 . . . . . 60 SER C . 51106 1 494 . 1 . 1 60 60 SER CB C 13 63.292 0.400 . 1 . . . . . 60 SER CB . 51106 1 495 . 1 . 1 60 60 SER N N 15 115.554 0.400 . 1 . . . . . 60 SER N . 51106 1 496 . 1 . 1 61 61 PRO HA H 1 4.466 0.020 . 1 . . . . . 61 PRO HA . 51106 1 497 . 1 . 1 61 61 PRO HB2 H 1 2.151 0.020 . 2 . . . . . 61 PRO HB2 . 51106 1 498 . 1 . 1 61 61 PRO HG2 H 1 1.747 0.020 . 2 . . . . . 61 PRO HG2 . 51106 1 499 . 1 . 1 61 61 PRO HG3 H 1 1.256 0.020 . 2 . . . . . 61 PRO HG3 . 51106 1 500 . 1 . 1 61 61 PRO C C 13 177.591 0.400 . 1 . . . . . 61 PRO C . 51106 1 501 . 1 . 1 61 61 PRO CA C 13 66.491 0.400 . 1 . . . . . 61 PRO CA . 51106 1 502 . 1 . 1 61 61 PRO CB C 13 32.972 0.400 . 1 . . . . . 61 PRO CB . 51106 1 503 . 1 . 1 61 61 PRO CG C 13 27.895 0.400 . 1 . . . . . 61 PRO CG . 51106 1 504 . 1 . 1 61 61 PRO CD C 13 50.312 0.400 . 1 . . . . . 61 PRO CD . 51106 1 505 . 1 . 1 62 62 ILE H H 1 8.348 0.020 . 1 . . . . . 62 ILE H . 51106 1 506 . 1 . 1 62 62 ILE HA H 1 3.969 0.020 . 1 . . . . . 62 ILE HA . 51106 1 507 . 1 . 1 62 62 ILE HB H 1 1.780 0.020 . 1 . . . . . 62 ILE HB . 51106 1 508 . 1 . 1 62 62 ILE HG12 H 1 0.966 0.020 . 2 . . . . . 62 ILE HG12 . 51106 1 509 . 1 . 1 62 62 ILE HD11 H 1 0.776 0.020 . 1 . . . . . 62 ILE HD11 . 51106 1 510 . 1 . 1 62 62 ILE HD12 H 1 0.776 0.020 . 1 . . . . . 62 ILE HD12 . 51106 1 511 . 1 . 1 62 62 ILE HD13 H 1 0.776 0.020 . 1 . . . . . 62 ILE HD13 . 51106 1 512 . 1 . 1 62 62 ILE C C 13 176.574 0.400 . 1 . . . . . 62 ILE C . 51106 1 513 . 1 . 1 62 62 ILE CA C 13 65.126 0.400 . 1 . . . . . 62 ILE CA . 51106 1 514 . 1 . 1 62 62 ILE CB C 13 37.959 0.400 . 1 . . . . . 62 ILE CB . 51106 1 515 . 1 . 1 62 62 ILE CG1 C 13 29.281 0.400 . 1 . . . . . 62 ILE CG1 . 51106 1 516 . 1 . 1 62 62 ILE CD1 C 13 17.174 0.400 . 1 . . . . . 62 ILE CD1 . 51106 1 517 . 1 . 1 62 62 ILE N N 15 115.863 0.400 . 1 . . . . . 62 ILE N . 51106 1 518 . 1 . 1 63 63 HIS H H 1 7.602 0.020 . 1 . . . . . 63 HIS H . 51106 1 519 . 1 . 1 63 63 HIS HA H 1 4.295 0.020 . 1 . . . . . 63 HIS HA . 51106 1 520 . 1 . 1 63 63 HIS HB2 H 1 3.294 0.020 . 2 . . . . . 63 HIS HB2 . 51106 1 521 . 1 . 1 63 63 HIS C C 13 178.497 0.400 . 1 . . . . . 63 HIS C . 51106 1 522 . 1 . 1 63 63 HIS CA C 13 60.443 0.400 . 1 . . . . . 63 HIS CA . 51106 1 523 . 1 . 1 63 63 HIS CB C 13 30.719 0.400 . 1 . . . . . 63 HIS CB . 51106 1 524 . 1 . 1 63 63 HIS N N 15 119.833 0.400 . 1 . . . . . 63 HIS N . 51106 1 525 . 1 . 1 64 64 LYS H H 1 8.874 0.020 . 1 . . . . . 64 LYS H . 51106 1 526 . 1 . 1 64 64 LYS HA H 1 4.144 0.020 . 1 . . . . . 64 LYS HA . 51106 1 527 . 1 . 1 64 64 LYS HB2 H 1 1.947 0.020 . 2 . . . . . 64 LYS HB2 . 51106 1 528 . 1 . 1 64 64 LYS HB3 H 1 1.947 0.020 . 2 . . . . . 64 LYS HB3 . 51106 1 529 . 1 . 1 64 64 LYS C C 13 177.919 0.400 . 1 . . . . . 64 LYS C . 51106 1 530 . 1 . 1 64 64 LYS CA C 13 60.465 0.400 . 1 . . . . . 64 LYS CA . 51106 1 531 . 1 . 1 64 64 LYS CB C 13 33.076 0.400 . 1 . . . . . 64 LYS CB . 51106 1 532 . 1 . 1 64 64 LYS CG C 13 26.427 0.400 . 1 . . . . . 64 LYS CG . 51106 1 533 . 1 . 1 64 64 LYS CD C 13 29.918 0.400 . 1 . . . . . 64 LYS CD . 51106 1 534 . 1 . 1 64 64 LYS N N 15 118.957 0.400 . 1 . . . . . 64 LYS N . 51106 1 535 . 1 . 1 65 65 HIS H H 1 8.050 0.020 . 1 . . . . . 65 HIS H . 51106 1 536 . 1 . 1 65 65 HIS HA H 1 3.846 0.020 . 1 . . . . . 65 HIS HA . 51106 1 537 . 1 . 1 65 65 HIS HB2 H 1 3.258 0.020 . 2 . . . . . 65 HIS HB2 . 51106 1 538 . 1 . 1 65 65 HIS C C 13 177.225 0.400 . 1 . . . . . 65 HIS C . 51106 1 539 . 1 . 1 65 65 HIS CA C 13 57.457 0.400 . 1 . . . . . 65 HIS CA . 51106 1 540 . 1 . 1 65 65 HIS CB C 13 30.642 0.400 . 1 . . . . . 65 HIS CB . 51106 1 541 . 1 . 1 65 65 HIS N N 15 117.338 0.400 . 1 . . . . . 65 HIS N . 51106 1 542 . 1 . 1 66 66 LYS H H 1 8.182 0.020 . 1 . . . . . 66 LYS H . 51106 1 543 . 1 . 1 66 66 LYS HA H 1 3.849 0.020 . 1 . . . . . 66 LYS HA . 51106 1 544 . 1 . 1 66 66 LYS HB2 H 1 1.881 0.020 . 2 . . . . . 66 LYS HB2 . 51106 1 545 . 1 . 1 66 66 LYS HG2 H 1 1.550 0.020 . 2 . . . . . 66 LYS HG2 . 51106 1 546 . 1 . 1 66 66 LYS C C 13 177.337 0.400 . 1 . . . . . 66 LYS C . 51106 1 547 . 1 . 1 66 66 LYS CA C 13 59.315 0.400 . 1 . . . . . 66 LYS CA . 51106 1 548 . 1 . 1 66 66 LYS CB C 13 32.512 0.400 . 1 . . . . . 66 LYS CB . 51106 1 549 . 1 . 1 66 66 LYS CG C 13 25.274 0.400 . 1 . . . . . 66 LYS CG . 51106 1 550 . 1 . 1 66 66 LYS CD C 13 29.623 0.400 . 1 . . . . . 66 LYS CD . 51106 1 551 . 1 . 1 66 66 LYS N N 15 116.615 0.400 . 1 . . . . . 66 LYS N . 51106 1 552 . 1 . 1 67 67 GLN H H 1 8.180 0.020 . 1 . . . . . 67 GLN H . 51106 1 553 . 1 . 1 67 67 GLN HA H 1 4.029 0.020 . 1 . . . . . 67 GLN HA . 51106 1 554 . 1 . 1 67 67 GLN HB2 H 1 2.124 0.020 . 2 . . . . . 67 GLN HB2 . 51106 1 555 . 1 . 1 67 67 GLN HG2 H 1 2.387 0.020 . 2 . . . . . 67 GLN HG2 . 51106 1 556 . 1 . 1 67 67 GLN HE21 H 1 7.474 0.020 . 2 . . . . . 67 GLN HE21 . 51106 1 557 . 1 . 1 67 67 GLN HE22 H 1 6.801 0.020 . 2 . . . . . 67 GLN HE22 . 51106 1 558 . 1 . 1 67 67 GLN C C 13 178.394 0.400 . 1 . . . . . 67 GLN C . 51106 1 559 . 1 . 1 67 67 GLN CA C 13 58.306 0.400 . 1 . . . . . 67 GLN CA . 51106 1 560 . 1 . 1 67 67 GLN CB C 13 27.304 0.400 . 1 . . . . . 67 GLN CB . 51106 1 561 . 1 . 1 67 67 GLN CG C 13 33.812 0.400 . 1 . . . . . 67 GLN CG . 51106 1 562 . 1 . 1 67 67 GLN N N 15 116.113 0.400 . 1 . . . . . 67 GLN N . 51106 1 563 . 1 . 1 67 67 GLN NE2 N 15 111.254 0.400 . 1 . . . . . 67 GLN NE2 . 51106 1 564 . 1 . 1 68 68 LEU H H 1 7.925 0.020 . 1 . . . . . 68 LEU H . 51106 1 565 . 1 . 1 68 68 LEU HA H 1 4.467 0.020 . 1 . . . . . 68 LEU HA . 51106 1 566 . 1 . 1 68 68 LEU HB2 H 1 1.989 0.020 . 2 . . . . . 68 LEU HB2 . 51106 1 567 . 1 . 1 68 68 LEU HB3 H 1 1.648 0.020 . 2 . . . . . 68 LEU HB3 . 51106 1 568 . 1 . 1 68 68 LEU HD11 H 1 0.956 0.020 . 2 . . . . . 68 LEU HD11 . 51106 1 569 . 1 . 1 68 68 LEU HD12 H 1 0.956 0.020 . 2 . . . . . 68 LEU HD12 . 51106 1 570 . 1 . 1 68 68 LEU HD13 H 1 0.956 0.020 . 2 . . . . . 68 LEU HD13 . 51106 1 571 . 1 . 1 68 68 LEU C C 13 178.101 0.400 . 1 . . . . . 68 LEU C . 51106 1 572 . 1 . 1 68 68 LEU CA C 13 55.938 0.400 . 1 . . . . . 68 LEU CA . 51106 1 573 . 1 . 1 68 68 LEU CB C 13 42.991 0.400 . 1 . . . . . 68 LEU CB . 51106 1 574 . 1 . 1 68 68 LEU CG C 13 26.580 0.400 . 1 . . . . . 68 LEU CG . 51106 1 575 . 1 . 1 68 68 LEU CD1 C 13 22.596 0.400 . 2 . . . . . 68 LEU CD1 . 51106 1 576 . 1 . 1 68 68 LEU N N 15 116.450 0.400 . 1 . . . . . 68 LEU N . 51106 1 577 . 1 . 1 69 69 TYR H H 1 8.316 0.020 . 1 . . . . . 69 TYR H . 51106 1 578 . 1 . 1 69 69 TYR C C 13 176.185 0.400 . 1 . . . . . 69 TYR C . 51106 1 579 . 1 . 1 69 69 TYR CA C 13 57.964 0.400 . 1 . . . . . 69 TYR CA . 51106 1 580 . 1 . 1 69 69 TYR CB C 13 40.065 0.400 . 1 . . . . . 69 TYR CB . 51106 1 581 . 1 . 1 69 69 TYR N N 15 122.733 0.400 . 1 . . . . . 69 TYR N . 51106 1 582 . 1 . 1 70 70 PRO HA H 1 4.478 0.020 . 1 . . . . . 70 PRO HA . 51106 1 583 . 1 . 1 70 70 PRO HB2 H 1 2.594 0.020 . 2 . . . . . 70 PRO HB2 . 51106 1 584 . 1 . 1 70 70 PRO HB3 H 1 1.899 0.020 . 2 . . . . . 70 PRO HB3 . 51106 1 585 . 1 . 1 70 70 PRO HG2 H 1 1.932 0.020 . 2 . . . . . 70 PRO HG2 . 51106 1 586 . 1 . 1 70 70 PRO C C 13 177.831 0.400 . 1 . . . . . 70 PRO C . 51106 1 587 . 1 . 1 70 70 PRO CA C 13 64.947 0.400 . 1 . . . . . 70 PRO CA . 51106 1 588 . 1 . 1 70 70 PRO CB C 13 31.739 0.400 . 1 . . . . . 70 PRO CB . 51106 1 589 . 1 . 1 70 70 PRO CG C 13 26.896 0.400 . 1 . . . . . 70 PRO CG . 51106 1 590 . 1 . 1 70 70 PRO CD C 13 49.665 0.400 . 1 . . . . . 70 PRO CD . 51106 1 591 . 1 . 1 71 71 SER H H 1 7.570 0.020 . 1 . . . . . 71 SER H . 51106 1 592 . 1 . 1 71 71 SER HA H 1 4.320 0.020 . 1 . . . . . 71 SER HA . 51106 1 593 . 1 . 1 71 71 SER HB2 H 1 3.974 0.020 . 2 . . . . . 71 SER HB2 . 51106 1 594 . 1 . 1 71 71 SER HB3 H 1 3.773 0.020 . 2 . . . . . 71 SER HB3 . 51106 1 595 . 1 . 1 71 71 SER C C 13 173.698 0.400 . 1 . . . . . 71 SER C . 51106 1 596 . 1 . 1 71 71 SER CA C 13 58.457 0.400 . 1 . . . . . 71 SER CA . 51106 1 597 . 1 . 1 71 71 SER CB C 13 63.023 0.400 . 1 . . . . . 71 SER CB . 51106 1 598 . 1 . 1 71 71 SER N N 15 109.802 0.400 . 1 . . . . . 71 SER N . 51106 1 599 . 1 . 1 72 72 CYS H H 1 7.830 0.020 . 1 . . . . . 72 CYS H . 51106 1 600 . 1 . 1 72 72 CYS HA H 1 4.238 0.020 . 1 . . . . . 72 CYS HA . 51106 1 601 . 1 . 1 72 72 CYS HB2 H 1 3.301 0.020 . 2 . . . . . 72 CYS HB2 . 51106 1 602 . 1 . 1 72 72 CYS C C 13 177.153 0.400 . 1 . . . . . 72 CYS C . 51106 1 603 . 1 . 1 72 72 CYS CA C 13 60.482 0.400 . 1 . . . . . 72 CYS CA . 51106 1 604 . 1 . 1 72 72 CYS CB C 13 30.347 0.400 . 1 . . . . . 72 CYS CB . 51106 1 605 . 1 . 1 72 72 CYS N N 15 126.926 0.400 . 1 . . . . . 72 CYS N . 51106 1 606 . 1 . 1 73 73 SER H H 1 8.873 0.020 . 1 . . . . . 73 SER H . 51106 1 607 . 1 . 1 73 73 SER HA H 1 3.951 0.020 . 1 . . . . . 73 SER HA . 51106 1 608 . 1 . 1 73 73 SER HB2 H 1 4.031 0.020 . 2 . . . . . 73 SER HB2 . 51106 1 609 . 1 . 1 73 73 SER C C 13 176.184 0.400 . 1 . . . . . 73 SER C . 51106 1 610 . 1 . 1 73 73 SER CA C 13 61.889 0.400 . 1 . . . . . 73 SER CA . 51106 1 611 . 1 . 1 73 73 SER CB C 13 62.576 0.400 . 1 . . . . . 73 SER CB . 51106 1 612 . 1 . 1 73 73 SER N N 15 127.010 0.400 . 1 . . . . . 73 SER N . 51106 1 613 . 1 . 1 74 74 PHE H H 1 8.263 0.020 . 1 . . . . . 74 PHE H . 51106 1 614 . 1 . 1 74 74 PHE HA H 1 4.293 0.020 . 1 . . . . . 74 PHE HA . 51106 1 615 . 1 . 1 74 74 PHE HB2 H 1 3.115 0.020 . 2 . . . . . 74 PHE HB2 . 51106 1 616 . 1 . 1 74 74 PHE HB3 H 1 2.837 0.020 . 2 . . . . . 74 PHE HB3 . 51106 1 617 . 1 . 1 74 74 PHE C C 13 177.414 0.400 . 1 . . . . . 74 PHE C . 51106 1 618 . 1 . 1 74 74 PHE CA C 13 61.929 0.400 . 1 . . . . . 74 PHE CA . 51106 1 619 . 1 . 1 74 74 PHE CB C 13 39.502 0.400 . 1 . . . . . 74 PHE CB . 51106 1 620 . 1 . 1 74 74 PHE N N 15 124.770 0.400 . 1 . . . . . 74 PHE N . 51106 1 621 . 1 . 1 75 75 ILE H H 1 8.097 0.020 . 1 . . . . . 75 ILE H . 51106 1 622 . 1 . 1 75 75 ILE HA H 1 4.128 0.020 . 1 . . . . . 75 ILE HA . 51106 1 623 . 1 . 1 75 75 ILE HD11 H 1 0.857 0.020 . 1 . . . . . 75 ILE HD11 . 51106 1 624 . 1 . 1 75 75 ILE HD12 H 1 0.857 0.020 . 1 . . . . . 75 ILE HD12 . 51106 1 625 . 1 . 1 75 75 ILE HD13 H 1 0.857 0.020 . 1 . . . . . 75 ILE HD13 . 51106 1 626 . 1 . 1 75 75 ILE C C 13 177.304 0.400 . 1 . . . . . 75 ILE C . 51106 1 627 . 1 . 1 75 75 ILE CA C 13 60.157 0.400 . 1 . . . . . 75 ILE CA . 51106 1 628 . 1 . 1 75 75 ILE CB C 13 37.837 0.400 . 1 . . . . . 75 ILE CB . 51106 1 629 . 1 . 1 75 75 ILE CG1 C 13 24.899 0.400 . 1 . . . . . 75 ILE CG1 . 51106 1 630 . 1 . 1 75 75 ILE CG2 C 13 20.057 0.400 . 1 . . . . . 75 ILE CG2 . 51106 1 631 . 1 . 1 75 75 ILE CD1 C 13 13.468 0.400 . 1 . . . . . 75 ILE CD1 . 51106 1 632 . 1 . 1 75 75 ILE N N 15 121.934 0.400 . 1 . . . . . 75 ILE N . 51106 1 633 . 1 . 1 76 76 GLN H H 1 7.985 0.020 . 1 . . . . . 76 GLN H . 51106 1 634 . 1 . 1 76 76 GLN HA H 1 3.968 0.020 . 1 . . . . . 76 GLN HA . 51106 1 635 . 1 . 1 76 76 GLN HB2 H 1 2.014 0.020 . 2 . . . . . 76 GLN HB2 . 51106 1 636 . 1 . 1 76 76 GLN HG2 H 1 2.388 0.020 . 2 . . . . . 76 GLN HG2 . 51106 1 637 . 1 . 1 76 76 GLN HG3 H 1 2.584 0.020 . 2 . . . . . 76 GLN HG3 . 51106 1 638 . 1 . 1 76 76 GLN HE21 H 1 7.384 0.020 . 2 . . . . . 76 GLN HE21 . 51106 1 639 . 1 . 1 76 76 GLN HE22 H 1 6.817 0.020 . 2 . . . . . 76 GLN HE22 . 51106 1 640 . 1 . 1 76 76 GLN C C 13 178.329 0.400 . 1 . . . . . 76 GLN C . 51106 1 641 . 1 . 1 76 76 GLN CA C 13 58.575 0.400 . 1 . . . . . 76 GLN CA . 51106 1 642 . 1 . 1 76 76 GLN CB C 13 28.369 0.400 . 1 . . . . . 76 GLN CB . 51106 1 643 . 1 . 1 76 76 GLN CG C 13 33.815 0.400 . 1 . . . . . 76 GLN CG . 51106 1 644 . 1 . 1 76 76 GLN N N 15 119.779 0.400 . 1 . . . . . 76 GLN N . 51106 1 645 . 1 . 1 76 76 GLN NE2 N 15 110.989 0.400 . 1 . . . . . 76 GLN NE2 . 51106 1 646 . 1 . 1 77 77 ASN H H 1 7.603 0.020 . 1 . . . . . 77 ASN H . 51106 1 647 . 1 . 1 77 77 ASN HA H 1 4.517 0.020 . 1 . . . . . 77 ASN HA . 51106 1 648 . 1 . 1 77 77 ASN HB2 H 1 2.765 0.020 . 2 . . . . . 77 ASN HB2 . 51106 1 649 . 1 . 1 77 77 ASN HD21 H 1 7.668 0.020 . 2 . . . . . 77 ASN HD21 . 51106 1 650 . 1 . 1 77 77 ASN HD22 H 1 6.948 0.020 . 2 . . . . . 77 ASN HD22 . 51106 1 651 . 1 . 1 77 77 ASN C C 13 176.191 0.400 . 1 . . . . . 77 ASN C . 51106 1 652 . 1 . 1 77 77 ASN CA C 13 55.010 0.400 . 1 . . . . . 77 ASN CA . 51106 1 653 . 1 . 1 77 77 ASN CB C 13 38.730 0.400 . 1 . . . . . 77 ASN CB . 51106 1 654 . 1 . 1 77 77 ASN N N 15 116.450 0.400 . 1 . . . . . 77 ASN N . 51106 1 655 . 1 . 1 77 77 ASN ND2 N 15 113.379 0.400 . 1 . . . . . 77 ASN ND2 . 51106 1 656 . 1 . 1 78 78 LEU H H 1 7.527 0.020 . 1 . . . . . 78 LEU H . 51106 1 657 . 1 . 1 78 78 LEU HA H 1 3.979 0.020 . 1 . . . . . 78 LEU HA . 51106 1 658 . 1 . 1 78 78 LEU HB2 H 1 2.146 0.020 . 2 . . . . . 78 LEU HB2 . 51106 1 659 . 1 . 1 78 78 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 78 LEU HD11 . 51106 1 660 . 1 . 1 78 78 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 78 LEU HD12 . 51106 1 661 . 1 . 1 78 78 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 78 LEU HD13 . 51106 1 662 . 1 . 1 78 78 LEU CA C 13 57.103 0.400 . 1 . . . . . 78 LEU CA . 51106 1 663 . 1 . 1 78 78 LEU CB C 13 42.243 0.400 . 1 . . . . . 78 LEU CB . 51106 1 664 . 1 . 1 78 78 LEU CG C 13 25.089 0.400 . 1 . . . . . 78 LEU CG . 51106 1 665 . 1 . 1 78 78 LEU CD1 C 13 21.180 0.400 . 2 . . . . . 78 LEU CD1 . 51106 1 666 . 1 . 1 78 78 LEU N N 15 121.626 0.400 . 1 . . . . . 78 LEU N . 51106 1 667 . 1 . 1 79 79 VAL H H 1 7.958 0.020 . 1 . . . . . 79 VAL H . 51106 1 668 . 1 . 1 79 79 VAL C C 13 178.692 0.400 . 1 . . . . . 79 VAL C . 51106 1 669 . 1 . 1 79 79 VAL CA C 13 63.637 0.400 . 1 . . . . . 79 VAL CA . 51106 1 670 . 1 . 1 79 79 VAL CB C 13 32.068 0.400 . 1 . . . . . 79 VAL CB . 51106 1 671 . 1 . 1 79 79 VAL N N 15 117.192 0.400 . 1 . . . . . 79 VAL N . 51106 1 672 . 1 . 1 80 80 SER H H 1 7.955 0.020 . 1 . . . . . 80 SER H . 51106 1 673 . 1 . 1 80 80 SER HA H 1 4.338 0.020 . 1 . . . . . 80 SER HA . 51106 1 674 . 1 . 1 80 80 SER HB2 H 1 3.933 0.020 . 2 . . . . . 80 SER HB2 . 51106 1 675 . 1 . 1 80 80 SER C C 13 174.937 0.400 . 1 . . . . . 80 SER C . 51106 1 676 . 1 . 1 80 80 SER CA C 13 59.377 0.400 . 1 . . . . . 80 SER CA . 51106 1 677 . 1 . 1 80 80 SER CB C 13 63.494 0.400 . 1 . . . . . 80 SER CB . 51106 1 678 . 1 . 1 80 80 SER N N 15 117.365 0.400 . 1 . . . . . 80 SER N . 51106 1 679 . 1 . 1 81 81 ALA H H 1 8.071 0.020 . 1 . . . . . 81 ALA H . 51106 1 680 . 1 . 1 81 81 ALA HA H 1 4.317 0.020 . 1 . . . . . 81 ALA HA . 51106 1 681 . 1 . 1 81 81 ALA HB1 H 1 1.404 0.020 . 1 . . . . . 81 ALA HB1 . 51106 1 682 . 1 . 1 81 81 ALA HB2 H 1 1.404 0.020 . 1 . . . . . 81 ALA HB2 . 51106 1 683 . 1 . 1 81 81 ALA HB3 H 1 1.404 0.020 . 1 . . . . . 81 ALA HB3 . 51106 1 684 . 1 . 1 81 81 ALA C C 13 178.128 0.400 . 1 . . . . . 81 ALA C . 51106 1 685 . 1 . 1 81 81 ALA CA C 13 53.081 0.400 . 1 . . . . . 81 ALA CA . 51106 1 686 . 1 . 1 81 81 ALA CB C 13 18.833 0.400 . 1 . . . . . 81 ALA CB . 51106 1 687 . 1 . 1 81 81 ALA N N 15 124.867 0.400 . 1 . . . . . 81 ALA N . 51106 1 688 . 1 . 1 82 82 SER H H 1 8.021 0.020 . 1 . . . . . 82 SER H . 51106 1 689 . 1 . 1 82 82 SER CA C 13 58.875 0.400 . 1 . . . . . 82 SER CA . 51106 1 690 . 1 . 1 82 82 SER CB C 13 63.678 0.400 . 1 . . . . . 82 SER CB . 51106 1 691 . 1 . 1 82 82 SER N N 15 113.805 0.400 . 1 . . . . . 82 SER N . 51106 1 stop_ save_