data_15610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15610 _Entry.Title ; Solution NMR Structure of BH09830 from Bartonella henselae Modeled with One Zn+2 Bound, Northeast Structural Genomics Consortium Target BnR55. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-30 _Entry.Accession_date 2007-12-30 _Entry.Last_release_date 2008-01-01 _Entry.Original_release_date 2008-01-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 . 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 Keyang Ding . . . . 15610 2 John Cort . R. . . 15610 3 Dongyan Wang . . . . 15610 4 Haleema Janjua . . . . 15610 5 Leah Owens . . . . 15610 6 Rong Xiao . . . . 15610 7 Jinfeng Liu . . . . 15610 8 Michael Baran . C. . . 15610 9 Gurla Swapna . V.T. . . 15610 10 Thomas Acton . B. . . 15610 11 Burkhard Rost . . . . 15610 12 Gaetano Montelione . T. . . 15610 13 Michael Kennedy . A. . . 15610 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15610 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'zinc binding' . 15610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 15610 '15N chemical shifts' 72 15610 '1H chemical shifts' 516 15610 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 . . 2009-06-12 2007-12-30 update BMRB 'added time domain data' 15610 1 . . 2008-01-28 2007-12-30 original author 'original release' 15610 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of BH09830 from Bartonella henselae Modeled with One Zn+2 Bound. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Keyang Ding . . . . 15610 1 2 John Cort . R. . . 15610 1 3 Dongyan Wang . . . . 15610 1 4 Haleema Janjua . . . . 15610 1 5 Leah Owens . . . . 15610 1 6 Rong Xiao . . . . 15610 1 7 Jinfeng Liu . . . . 15610 1 8 Michael Baran . C. . . 15610 1 9 Gurla Swapna . V.T. . . 15610 1 10 Thomas Acton . B. . . 15610 1 11 Burkhard Rost . . . . 15610 1 12 Gaetano Montelione . T. . . 15610 1 13 Michael Kennedy . A. . . 15610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15610 _Assembly.ID 1 _Assembly.Name BH09830 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $BH09830_monomer A . yes native no no . . . 15610 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 15610 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 27 27 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . 27 CYS SG . . . . . ZN 15610 1 2 coordination single . 1 . 1 CYS 51 51 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . 51 CYS SG . . . . . ZN 15610 1 3 coordination single . 1 . 1 CYS 54 54 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . 54 CYS SG . . . . . ZN 15610 1 4 coordination single . 1 . 1 HIS 38 38 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . . 38 HIS NE2 . . . . . ZN 15610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BH09830_monomer _Entity.Sf_category entity _Entity.Sf_framecode BH09830_monomer _Entity.Entry_ID 15610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BH09830_monomer _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 ; MADYNIPHFQNDLGYKIIEI GVKEFMCVGATQPFDHPHIF IDMGSTDEKICPYCSTLYRY DPSLSYNQTNPTGCLYNPKL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The full sequence is cloned with his-tag LEHHHHHH added at the C-terminal.' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'Three bound to Zn+2 and one free.' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10158.537 _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 . 15610 1 2 . ALA . 15610 1 3 . ASP . 15610 1 4 . TYR . 15610 1 5 . ASN . 15610 1 6 . ILE . 15610 1 7 . PRO . 15610 1 8 . HIS . 15610 1 9 . PHE . 15610 1 10 . GLN . 15610 1 11 . ASN . 15610 1 12 . ASP . 15610 1 13 . LEU . 15610 1 14 . GLY . 15610 1 15 . TYR . 15610 1 16 . LYS . 15610 1 17 . ILE . 15610 1 18 . ILE . 15610 1 19 . GLU . 15610 1 20 . ILE . 15610 1 21 . GLY . 15610 1 22 . VAL . 15610 1 23 . LYS . 15610 1 24 . GLU . 15610 1 25 . PHE . 15610 1 26 . MET . 15610 1 27 . CYS . 15610 1 28 . VAL . 15610 1 29 . GLY . 15610 1 30 . ALA . 15610 1 31 . THR . 15610 1 32 . GLN . 15610 1 33 . PRO . 15610 1 34 . PHE . 15610 1 35 . ASP . 15610 1 36 . HIS . 15610 1 37 . PRO . 15610 1 38 . HIS . 15610 1 39 . ILE . 15610 1 40 . PHE . 15610 1 41 . ILE . 15610 1 42 . ASP . 15610 1 43 . MET . 15610 1 44 . GLY . 15610 1 45 . SER . 15610 1 46 . THR . 15610 1 47 . ASP . 15610 1 48 . GLU . 15610 1 49 . LYS . 15610 1 50 . ILE . 15610 1 51 . CYS . 15610 1 52 . PRO . 15610 1 53 . TYR . 15610 1 54 . CYS . 15610 1 55 . SER . 15610 1 56 . THR . 15610 1 57 . LEU . 15610 1 58 . TYR . 15610 1 59 . ARG . 15610 1 60 . TYR . 15610 1 61 . ASP . 15610 1 62 . PRO . 15610 1 63 . SER . 15610 1 64 . LEU . 15610 1 65 . SER . 15610 1 66 . TYR . 15610 1 67 . ASN . 15610 1 68 . GLN . 15610 1 69 . THR . 15610 1 70 . ASN . 15610 1 71 . PRO . 15610 1 72 . THR . 15610 1 73 . GLY . 15610 1 74 . CYS . 15610 1 75 . LEU . 15610 1 76 . TYR . 15610 1 77 . ASN . 15610 1 78 . PRO . 15610 1 79 . LYS . 15610 1 80 . LEU . 15610 1 81 . GLU . 15610 1 82 . HIS . 15610 1 83 . HIS . 15610 1 84 . HIS . 15610 1 85 . HIS . 15610 1 86 . HIS . 15610 1 87 . HIS . 15610 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 15610 1 . ALA 2 2 15610 1 . ASP 3 3 15610 1 . TYR 4 4 15610 1 . ASN 5 5 15610 1 . ILE 6 6 15610 1 . PRO 7 7 15610 1 . HIS 8 8 15610 1 . PHE 9 9 15610 1 . GLN 10 10 15610 1 . ASN 11 11 15610 1 . ASP 12 12 15610 1 . LEU 13 13 15610 1 . GLY 14 14 15610 1 . TYR 15 15 15610 1 . LYS 16 16 15610 1 . ILE 17 17 15610 1 . ILE 18 18 15610 1 . GLU 19 19 15610 1 . ILE 20 20 15610 1 . GLY 21 21 15610 1 . VAL 22 22 15610 1 . LYS 23 23 15610 1 . GLU 24 24 15610 1 . PHE 25 25 15610 1 . MET 26 26 15610 1 . CYS 27 27 15610 1 . VAL 28 28 15610 1 . GLY 29 29 15610 1 . ALA 30 30 15610 1 . THR 31 31 15610 1 . GLN 32 32 15610 1 . PRO 33 33 15610 1 . PHE 34 34 15610 1 . ASP 35 35 15610 1 . HIS 36 36 15610 1 . PRO 37 37 15610 1 . HIS 38 38 15610 1 . ILE 39 39 15610 1 . PHE 40 40 15610 1 . ILE 41 41 15610 1 . ASP 42 42 15610 1 . MET 43 43 15610 1 . GLY 44 44 15610 1 . SER 45 45 15610 1 . THR 46 46 15610 1 . ASP 47 47 15610 1 . GLU 48 48 15610 1 . LYS 49 49 15610 1 . ILE 50 50 15610 1 . CYS 51 51 15610 1 . PRO 52 52 15610 1 . TYR 53 53 15610 1 . CYS 54 54 15610 1 . SER 55 55 15610 1 . THR 56 56 15610 1 . LEU 57 57 15610 1 . TYR 58 58 15610 1 . ARG 59 59 15610 1 . TYR 60 60 15610 1 . ASP 61 61 15610 1 . PRO 62 62 15610 1 . SER 63 63 15610 1 . LEU 64 64 15610 1 . SER 65 65 15610 1 . TYR 66 66 15610 1 . ASN 67 67 15610 1 . GLN 68 68 15610 1 . THR 69 69 15610 1 . ASN 70 70 15610 1 . PRO 71 71 15610 1 . THR 72 72 15610 1 . GLY 73 73 15610 1 . CYS 74 74 15610 1 . LEU 75 75 15610 1 . TYR 76 76 15610 1 . ASN 77 77 15610 1 . PRO 78 78 15610 1 . LYS 79 79 15610 1 . LEU 80 80 15610 1 . GLU 81 81 15610 1 . HIS 82 82 15610 1 . HIS 83 83 15610 1 . HIS 84 84 15610 1 . HIS 85 85 15610 1 . HIS 86 86 15610 1 . HIS 87 87 15610 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 15610 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _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 15610 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 15610 2 ZN 'Three letter code' 15610 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 15610 2 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 15610 _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 $BH09830_monomer . 38323 organism . 'Bartonella henselae' 'Bartonella henselae' . . Bacteria . Bartonella henselae . . . . . . . . . . . . . 15610 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 15610 _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 $BH09830_monomer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 15610 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 15610 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 15610 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 15610 ZN [Zn++] SMILES CACTVS 3.341 15610 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15610 ZN [Zn+2] SMILES ACDLabs 10.04 15610 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15610 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15610 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 15610 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15610 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15610 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15610 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BH09830 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $BH09830_monomer . . 0.8 . . mM . . . . 15610 2 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15610 2 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15610 2 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15610 2 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15610 2 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15610 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15610 2 8 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15610 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15610 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'BH09830 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $BH09830_monomer . . 0.8 . . mM . . . . 15610 1 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15610 1 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15610 1 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15610 1 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15610 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15610 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15610 1 8 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15610 1 9 H2O . . . . . . . 90 . . % . . . . 15610 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 15610 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 1 mM 15610 1 pH 6.5 0.2 pH 15610 1 pressure 1 . atm 15610 1 temperature 293 1 K 15610 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15610 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15610 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15610 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15610 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.15.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15610 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15610 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15610 _Software.ID 3 _Software.Type . _Software.Name AutoStruct _Software.Version 2.1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15610 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15610 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15610 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15610 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15610 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15610 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version linux9 _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' . . 15610 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15610 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15610 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15610 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15610 1 2 spectrometer_2 Varian INOVA . 750 . . . 15610 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 15610 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15610 1 3 '2D 1H-13C Arom HSQC' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 4 '3D HNCO' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 5 '3D HNCACB' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 6 '3D CBCA(CO)NH' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 7 '3D HBHA(CO)NH' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 8 '3D HNHA' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 9 '3D C(CO)NH' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 10 '3D HCCH-TOCSY' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 11 '3D 1H-15N NOESY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15610 1 12 '3D 1H-13C NOESY' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15610 1 13 '3D 1H-13C Arom NOESY' yes 13 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 14 '4D HCCH NOESY' yes 14 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15610 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_nhsqc_600_9_28_07.fid/ ; . . . . . . . 15610 1 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_nhsqc_600_9_28_07.fid/ ; . . . . . . . 15610 1 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_nhsqc_600_9_28_07.fid/ ; . . . . . . . 15610 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_chsqc_aliph_750_10_3_07.fid/ ; . . . . . . . 15610 2 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_chsqc_aliph_750_10_3_07.fid/ ; . . . . . . . 15610 2 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_chsqc_aliph_750_10_3_07.fid/ ; . . . . . . . 15610 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-13C Arom HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_arom_gCHSQC_10_15_07_2.fid/ ; . . . . . . . 15610 3 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_arom_gCHSQC_10_15_07_2.fid/ ; . . . . . . . 15610 3 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_arom_gCHSQC_10_15_07_2.fid/ ; . . . . . . . 15610 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hnco_9_30_07.fid/ ; . . . . . . . 15610 4 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hnco_9_30_07.fid/ ; . . . . . . . 15610 4 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hnco_9_30_07.fid/ ; . . . . . . . 15610 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hncacb_600baker_9_28_07.fid/ ; . . . . . . . 15610 5 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hncacb_600baker_9_28_07.fid/ ; . . . . . . . 15610 5 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hncacb_600baker_9_28_07.fid/ ; . . . . . . . 15610 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_cbcaconh_9_29_07.fid/ ; . . . . . . . 15610 6 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_cbcaconh_9_29_07.fid/ ; . . . . . . . 15610 6 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_cbcaconh_9_29_07.fid/ ; . . . . . . . 15610 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghbha_co_nh_10_11_07.fid/ ; . . . . . . . 15610 7 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghbha_co_nh_10_11_07.fid/ ; . . . . . . . 15610 7 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghbha_co_nh_10_11_07.fid/ ; . . . . . . . 15610 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghnha_10_14_07.fid/ ; . . . . . . . 15610 8 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghnha_10_14_07.fid/ ; . . . . . . . 15610 8 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_ghnha_10_14_07.fid/ ; . . . . . . . 15610 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_gccconh_10_15_07.fid/ ; . . . . . . . 15610 9 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_gccconh_10_15_07.fid/ ; . . . . . . . 15610 9 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_gccconh_10_15_07.fid/ ; . . . . . . . 15610 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hcch_tocsy_10_13_07.fid/ ; . . . . . . . 15610 10 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hcch_tocsy_10_13_07.fid/ ; . . . . . . . 15610 10 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_hcch_tocsy_10_13_07.fid/ ; . . . . . . . 15610 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_n15_noesy_10_7_07.fid/ ; . . . . . . . 15610 11 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_n15_noesy_10_7_07.fid/ ; . . . . . . . 15610 11 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_n15_noesy_10_7_07.fid/ ; . . . . . . . 15610 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_aliph_10_27_07.fid/ ; . . . . . . . 15610 12 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_aliph_10_27_07.fid/ ; . . . . . . . 15610 12 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_aliph_10_27_07.fid/ ; . . . . . . . 15610 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 1H-13C Arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_arom_10_9_07.fid/ ; . . . . . . . 15610 13 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_arom_10_9_07.fid/ ; . . . . . . . 15610 13 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_c13_noesy_arom_10_9_07.fid/ ; . . . . . . . 15610 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 15610 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '4D HCCH NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_d2o_4d_cc_noesy_11_4_07.fid/ ; . . . . . . . 15610 14 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_d2o_4d_cc_noesy_11_4_07.fid/ ; . . . . . . . 15610 14 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15610/timedomain_data/nesg_BnR55_bmrb15610/bnr55_d2o_4d_cc_noesy_11_4_07.fid/ ; . . . . . . . 15610 14 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15610 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15610 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15610 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15610 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15610 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 15610 1 2 '2D 1H-13C HSQC' . . . 15610 1 3 '2D 1H-13C Arom HSQC' . . . 15610 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 4 $SPARKY . . 15610 1 5 $NMRPipe . . 15610 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 3.96 0.02 . 1 . . . . . 2 ALA HA . 15610 1 2 . 1 1 2 2 ALA HB1 H 1 1.31 0.02 . 1 . . . . . 2 ALA HB . 15610 1 3 . 1 1 2 2 ALA HB2 H 1 1.31 0.02 . 1 . . . . . 2 ALA HB . 15610 1 4 . 1 1 2 2 ALA HB3 H 1 1.31 0.02 . 1 . . . . . 2 ALA HB . 15610 1 5 . 1 1 2 2 ALA C C 13 173.4 0.2 . 1 . . . . . 2 ALA C . 15610 1 6 . 1 1 2 2 ALA CA C 13 51.7 0.2 . 1 . . . . . 2 ALA CA . 15610 1 7 . 1 1 2 2 ALA CB C 13 19.2 0.2 . 1 . . . . . 2 ALA CB . 15610 1 8 . 1 1 3 3 ASP H H 1 8.52 0.02 . 1 . . . . . 3 ASP H . 15610 1 9 . 1 1 3 3 ASP HA H 1 4.55 0.02 . 1 . . . . . 3 ASP HA . 15610 1 10 . 1 1 3 3 ASP HB2 H 1 2.48 0.02 . 2 . . . . . 3 ASP HB2 . 15610 1 11 . 1 1 3 3 ASP HB3 H 1 2.63 0.02 . 2 . . . . . 3 ASP HB3 . 15610 1 12 . 1 1 3 3 ASP C C 13 175.5 0.2 . 1 . . . . . 3 ASP C . 15610 1 13 . 1 1 3 3 ASP CA C 13 54.2 0.2 . 1 . . . . . 3 ASP CA . 15610 1 14 . 1 1 3 3 ASP CB C 13 41.4 0.2 . 1 . . . . . 3 ASP CB . 15610 1 15 . 1 1 3 3 ASP N N 15 120.2 0.2 . 1 . . . . . 3 ASP N . 15610 1 16 . 1 1 4 4 TYR H H 1 8.05 0.02 . 1 . . . . . 4 TYR H . 15610 1 17 . 1 1 4 4 TYR HA H 1 4.55 0.02 . 1 . . . . . 4 TYR HA . 15610 1 18 . 1 1 4 4 TYR HB2 H 1 2.89 0.02 . 2 . . . . . 4 TYR HB2 . 15610 1 19 . 1 1 4 4 TYR HB3 H 1 3.02 0.02 . 2 . . . . . 4 TYR HB3 . 15610 1 20 . 1 1 4 4 TYR HD1 H 1 7.00 0.02 . 3 . . . . . 4 TYR HD1 . 15610 1 21 . 1 1 4 4 TYR HD2 H 1 7.00 0.02 . 3 . . . . . 4 TYR HD2 . 15610 1 22 . 1 1 4 4 TYR C C 13 175.5 0.2 . 1 . . . . . 4 TYR C . 15610 1 23 . 1 1 4 4 TYR CA C 13 57.2 0.2 . 1 . . . . . 4 TYR CA . 15610 1 24 . 1 1 4 4 TYR CB C 13 38.7 0.2 . 1 . . . . . 4 TYR CB . 15610 1 25 . 1 1 4 4 TYR CD1 C 13 133.1 0.02 . 3 . . . . . 4 TYR CD1 . 15610 1 26 . 1 1 4 4 TYR CD2 C 13 133.1 0.02 . 3 . . . . . 4 TYR CD2 . 15610 1 27 . 1 1 4 4 TYR N N 15 119.5 0.2 . 1 . . . . . 4 TYR N . 15610 1 28 . 1 1 5 5 ASN H H 1 8.52 0.02 . 1 . . . . . 5 ASN H . 15610 1 29 . 1 1 5 5 ASN HA H 1 4.72 0.02 . 1 . . . . . 5 ASN HA . 15610 1 30 . 1 1 5 5 ASN HB2 H 1 2.70 0.02 . 2 . . . . . 5 ASN HB2 . 15610 1 31 . 1 1 5 5 ASN HB3 H 1 2.78 0.02 . 2 . . . . . 5 ASN HB3 . 15610 1 32 . 1 1 5 5 ASN HD21 H 1 6.91 0.02 . 2 . . . . . 5 ASN HD21 . 15610 1 33 . 1 1 5 5 ASN HD22 H 1 7.63 0.02 . 2 . . . . . 5 ASN HD22 . 15610 1 34 . 1 1 5 5 ASN C C 13 174.5 0.2 . 1 . . . . . 5 ASN C . 15610 1 35 . 1 1 5 5 ASN CA C 13 53.2 0.2 . 1 . . . . . 5 ASN CA . 15610 1 36 . 1 1 5 5 ASN CB C 13 38.7 0.2 . 1 . . . . . 5 ASN CB . 15610 1 37 . 1 1 5 5 ASN N N 15 121.1 0.2 . 1 . . . . . 5 ASN N . 15610 1 38 . 1 1 5 5 ASN ND2 N 15 113.3 0.2 . 1 . . . . . 5 ASN ND2 . 15610 1 39 . 1 1 6 6 ILE H H 1 7.97 0.02 . 1 . . . . . 6 ILE H . 15610 1 40 . 1 1 6 6 ILE HA H 1 4.61 0.02 . 1 . . . . . 6 ILE HA . 15610 1 41 . 1 1 6 6 ILE HB H 1 1.96 0.02 . 1 . . . . . 6 ILE HB . 15610 1 42 . 1 1 6 6 ILE HD11 H 1 0.80 0.02 . 1 . . . . . 6 ILE HD1 . 15610 1 43 . 1 1 6 6 ILE HD12 H 1 0.80 0.02 . 1 . . . . . 6 ILE HD1 . 15610 1 44 . 1 1 6 6 ILE HD13 H 1 0.80 0.02 . 1 . . . . . 6 ILE HD1 . 15610 1 45 . 1 1 6 6 ILE HG12 H 1 1.17 0.02 . 2 . . . . . 6 ILE HG12 . 15610 1 46 . 1 1 6 6 ILE HG13 H 1 1.44 0.02 . 2 . . . . . 6 ILE HG13 . 15610 1 47 . 1 1 6 6 ILE HG21 H 1 0.97 0.02 . 1 . . . . . 6 ILE HG2 . 15610 1 48 . 1 1 6 6 ILE HG22 H 1 0.97 0.02 . 1 . . . . . 6 ILE HG2 . 15610 1 49 . 1 1 6 6 ILE HG23 H 1 0.97 0.02 . 1 . . . . . 6 ILE HG2 . 15610 1 50 . 1 1 6 6 ILE CA C 13 58.5 0.2 . 1 . . . . . 6 ILE CA . 15610 1 51 . 1 1 6 6 ILE CB C 13 39.3 0.2 . 1 . . . . . 6 ILE CB . 15610 1 52 . 1 1 6 6 ILE CD1 C 13 13.5 0.2 . 1 . . . . . 6 ILE CD1 . 15610 1 53 . 1 1 6 6 ILE CG1 C 13 26.7 0.2 . 1 . . . . . 6 ILE CG1 . 15610 1 54 . 1 1 6 6 ILE CG2 C 13 17.2 0.2 . 1 . . . . . 6 ILE CG2 . 15610 1 55 . 1 1 6 6 ILE N N 15 121.1 0.2 . 1 . . . . . 6 ILE N . 15610 1 56 . 1 1 7 7 PRO HA H 1 4.38 0.02 . 1 . . . . . 7 PRO HA . 15610 1 57 . 1 1 7 7 PRO HB2 H 1 1.63 0.02 . 2 . . . . . 7 PRO HB2 . 15610 1 58 . 1 1 7 7 PRO HB3 H 1 2.09 0.02 . 2 . . . . . 7 PRO HB3 . 15610 1 59 . 1 1 7 7 PRO HD2 H 1 3.96 0.02 . 2 . . . . . 7 PRO HD2 . 15610 1 60 . 1 1 7 7 PRO HD3 H 1 4.12 0.02 . 2 . . . . . 7 PRO HD3 . 15610 1 61 . 1 1 7 7 PRO HG2 H 1 2.09 0.02 . 2 . . . . . 7 PRO HG2 . 15610 1 62 . 1 1 7 7 PRO HG3 H 1 2.31 0.02 . 2 . . . . . 7 PRO HG3 . 15610 1 63 . 1 1 7 7 PRO CA C 13 64.0 0.2 . 1 . . . . . 7 PRO CA . 15610 1 64 . 1 1 7 7 PRO CB C 13 32.7 0.2 . 1 . . . . . 7 PRO CB . 15610 1 65 . 1 1 7 7 PRO CD C 13 51.5 0.2 . 1 . . . . . 7 PRO CD . 15610 1 66 . 1 1 7 7 PRO CG C 13 28.7 0.2 . 1 . . . . . 7 PRO CG . 15610 1 67 . 1 1 8 8 HIS HA H 1 5.38 0.02 . 1 . . . . . 8 HIS HA . 15610 1 68 . 1 1 8 8 HIS HB2 H 1 2.60 0.02 . 2 . . . . . 8 HIS HB2 . 15610 1 69 . 1 1 8 8 HIS HB3 H 1 3.44 0.02 . 2 . . . . . 8 HIS HB3 . 15610 1 70 . 1 1 8 8 HIS C C 13 173.1 0.2 . 1 . . . . . 8 HIS C . 15610 1 71 . 1 1 8 8 HIS CA C 13 52.9 0.2 . 1 . . . . . 8 HIS CA . 15610 1 72 . 1 1 8 8 HIS CB C 13 32.0 0.2 . 1 . . . . . 8 HIS CB . 15610 1 73 . 1 1 9 9 PHE H H 1 8.86 0.02 . 1 . . . . . 9 PHE H . 15610 1 74 . 1 1 9 9 PHE HA H 1 5.61 0.02 . 1 . . . . . 9 PHE HA . 15610 1 75 . 1 1 9 9 PHE HB2 H 1 2.82 0.02 . 2 . . . . . 9 PHE HB2 . 15610 1 76 . 1 1 9 9 PHE HB3 H 1 3.28 0.02 . 2 . . . . . 9 PHE HB3 . 15610 1 77 . 1 1 9 9 PHE HD1 H 1 6.92 0.02 . 3 . . . . . 9 PHE HD1 . 15610 1 78 . 1 1 9 9 PHE HD2 H 1 6.92 0.02 . 3 . . . . . 9 PHE HD2 . 15610 1 79 . 1 1 9 9 PHE C C 13 172.6 0.2 . 1 . . . . . 9 PHE C . 15610 1 80 . 1 1 9 9 PHE CA C 13 57.0 0.2 . 1 . . . . . 9 PHE CA . 15610 1 81 . 1 1 9 9 PHE CB C 13 43.0 0.2 . 1 . . . . . 9 PHE CB . 15610 1 82 . 1 1 9 9 PHE CD1 C 13 131.2 0.02 . 3 . . . . . 9 PHE CD1 . 15610 1 83 . 1 1 9 9 PHE CD2 C 13 131.2 0.02 . 3 . . . . . 9 PHE CD2 . 15610 1 84 . 1 1 9 9 PHE N N 15 119.9 0.2 . 1 . . . . . 9 PHE N . 15610 1 85 . 1 1 10 10 GLN H H 1 9.02 0.02 . 1 . . . . . 10 GLN H . 15610 1 86 . 1 1 10 10 GLN HA H 1 4.65 0.02 . 1 . . . . . 10 GLN HA . 15610 1 87 . 1 1 10 10 GLN HB2 H 1 1.67 0.02 . 2 . . . . . 10 GLN HB2 . 15610 1 88 . 1 1 10 10 GLN HB3 H 1 1.67 0.02 . 2 . . . . . 10 GLN HB3 . 15610 1 89 . 1 1 10 10 GLN HE21 H 1 6.56 0.02 . 2 . . . . . 10 GLN HE21 . 15610 1 90 . 1 1 10 10 GLN HE22 H 1 7.15 0.02 . 2 . . . . . 10 GLN HE22 . 15610 1 91 . 1 1 10 10 GLN HG2 H 1 2.10 0.02 . 2 . . . . . 10 GLN HG2 . 15610 1 92 . 1 1 10 10 GLN HG3 H 1 2.24 0.02 . 2 . . . . . 10 GLN HG3 . 15610 1 93 . 1 1 10 10 GLN C C 13 173.1 0.2 . 1 . . . . . 10 GLN C . 15610 1 94 . 1 1 10 10 GLN CA C 13 53.1 0.2 . 1 . . . . . 10 GLN CA . 15610 1 95 . 1 1 10 10 GLN CB C 13 33.1 0.2 . 1 . . . . . 10 GLN CB . 15610 1 96 . 1 1 10 10 GLN CG C 13 32.5 0.2 . 1 . . . . . 10 GLN CG . 15610 1 97 . 1 1 10 10 GLN N N 15 117.6 0.2 . 1 . . . . . 10 GLN N . 15610 1 98 . 1 1 10 10 GLN NE2 N 15 110.5 0.2 . 1 . . . . . 10 GLN NE2 . 15610 1 99 . 1 1 11 11 ASN H H 1 7.97 0.02 . 1 . . . . . 11 ASN H . 15610 1 100 . 1 1 11 11 ASN HA H 1 5.23 0.02 . 1 . . . . . 11 ASN HA . 15610 1 101 . 1 1 11 11 ASN HB2 H 1 2.30 0.02 . 2 . . . . . 11 ASN HB2 . 15610 1 102 . 1 1 11 11 ASN HB3 H 1 3.02 0.02 . 2 . . . . . 11 ASN HB3 . 15610 1 103 . 1 1 11 11 ASN C C 13 176.3 0.2 . 1 . . . . . 11 ASN C . 15610 1 104 . 1 1 11 11 ASN CA C 13 49.7 0.2 . 1 . . . . . 11 ASN CA . 15610 1 105 . 1 1 11 11 ASN CB C 13 38.5 0.2 . 1 . . . . . 11 ASN CB . 15610 1 106 . 1 1 11 11 ASN N N 15 118.8 0.2 . 1 . . . . . 11 ASN N . 15610 1 107 . 1 1 12 12 ASP H H 1 8.94 0.02 . 1 . . . . . 12 ASP H . 15610 1 108 . 1 1 12 12 ASP HA H 1 4.52 0.02 . 1 . . . . . 12 ASP HA . 15610 1 109 . 1 1 12 12 ASP HB2 H 1 2.56 0.02 . 2 . . . . . 12 ASP HB2 . 15610 1 110 . 1 1 12 12 ASP HB3 H 1 2.56 0.02 . 2 . . . . . 12 ASP HB3 . 15610 1 111 . 1 1 12 12 ASP C C 13 177.8 0.2 . 1 . . . . . 12 ASP C . 15610 1 112 . 1 1 12 12 ASP CA C 13 56.9 0.2 . 1 . . . . . 12 ASP CA . 15610 1 113 . 1 1 12 12 ASP CB C 13 41.4 0.2 . 1 . . . . . 12 ASP CB . 15610 1 114 . 1 1 12 12 ASP N N 15 122.5 0.2 . 1 . . . . . 12 ASP N . 15610 1 115 . 1 1 13 13 LEU H H 1 7.86 0.02 . 1 . . . . . 13 LEU H . 15610 1 116 . 1 1 13 13 LEU HA H 1 4.19 0.02 . 1 . . . . . 13 LEU HA . 15610 1 117 . 1 1 13 13 LEU HB2 H 1 0.96 0.02 . 2 . . . . . 13 LEU HB2 . 15610 1 118 . 1 1 13 13 LEU HB3 H 1 1.14 0.02 . 2 . . . . . 13 LEU HB3 . 15610 1 119 . 1 1 13 13 LEU HD11 H 1 0.77 0.02 . 2 . . . . . 13 LEU HD1 . 15610 1 120 . 1 1 13 13 LEU HD12 H 1 0.77 0.02 . 2 . . . . . 13 LEU HD1 . 15610 1 121 . 1 1 13 13 LEU HD13 H 1 0.77 0.02 . 2 . . . . . 13 LEU HD1 . 15610 1 122 . 1 1 13 13 LEU HD21 H 1 0.89 0.02 . 2 . . . . . 13 LEU HD2 . 15610 1 123 . 1 1 13 13 LEU HD22 H 1 0.89 0.02 . 2 . . . . . 13 LEU HD2 . 15610 1 124 . 1 1 13 13 LEU HD23 H 1 0.89 0.02 . 2 . . . . . 13 LEU HD2 . 15610 1 125 . 1 1 13 13 LEU HG H 1 1.51 0.02 . 1 . . . . . 13 LEU HG . 15610 1 126 . 1 1 13 13 LEU C C 13 177.3 0.2 . 1 . . . . . 13 LEU C . 15610 1 127 . 1 1 13 13 LEU CA C 13 54.3 0.2 . 1 . . . . . 13 LEU CA . 15610 1 128 . 1 1 13 13 LEU CB C 13 41.3 0.2 . 1 . . . . . 13 LEU CB . 15610 1 129 . 1 1 13 13 LEU CD1 C 13 22.8 0.02 . 2 . . . . . 13 LEU CD1 . 15610 1 130 . 1 1 13 13 LEU CD2 C 13 24.9 0.02 . 2 . . . . . 13 LEU CD2 . 15610 1 131 . 1 1 13 13 LEU CG C 13 27.4 0.2 . 1 . . . . . 13 LEU CG . 15610 1 132 . 1 1 13 13 LEU N N 15 116.5 0.2 . 1 . . . . . 13 LEU N . 15610 1 133 . 1 1 14 14 GLY H H 1 7.42 0.02 . 1 . . . . . 14 GLY H . 15610 1 134 . 1 1 14 14 GLY HA2 H 1 3.61 0.02 . 2 . . . . . 14 GLY HA2 . 15610 1 135 . 1 1 14 14 GLY HA3 H 1 3.61 0.02 . 2 . . . . . 14 GLY HA3 . 15610 1 136 . 1 1 14 14 GLY C C 13 175.6 0.2 . 1 . . . . . 14 GLY C . 15610 1 137 . 1 1 14 14 GLY CA C 13 46.9 0.2 . 1 . . . . . 14 GLY CA . 15610 1 138 . 1 1 14 14 GLY N N 15 109.5 0.2 . 1 . . . . . 14 GLY N . 15610 1 139 . 1 1 15 15 TYR H H 1 8.64 0.02 . 1 . . . . . 15 TYR H . 15610 1 140 . 1 1 15 15 TYR HA H 1 4.46 0.02 . 1 . . . . . 15 TYR HA . 15610 1 141 . 1 1 15 15 TYR HB2 H 1 2.38 0.02 . 2 . . . . . 15 TYR HB2 . 15610 1 142 . 1 1 15 15 TYR HB3 H 1 3.01 0.02 . 2 . . . . . 15 TYR HB3 . 15610 1 143 . 1 1 15 15 TYR HD1 H 1 7.08 0.02 . 3 . . . . . 15 TYR HD1 . 15610 1 144 . 1 1 15 15 TYR HD2 H 1 7.08 0.02 . 3 . . . . . 15 TYR HD2 . 15610 1 145 . 1 1 15 15 TYR C C 13 177.9 0.2 . 1 . . . . . 15 TYR C . 15610 1 146 . 1 1 15 15 TYR CA C 13 57.7 0.2 . 1 . . . . . 15 TYR CA . 15610 1 147 . 1 1 15 15 TYR CB C 13 37.9 0.2 . 1 . . . . . 15 TYR CB . 15610 1 148 . 1 1 15 15 TYR CD1 C 13 132.7 0.02 . 3 . . . . . 15 TYR CD1 . 15610 1 149 . 1 1 15 15 TYR CD2 C 13 132.7 0.02 . 3 . . . . . 15 TYR CD2 . 15610 1 150 . 1 1 15 15 TYR N N 15 121.4 0.2 . 1 . . . . . 15 TYR N . 15610 1 151 . 1 1 16 16 LYS H H 1 8.99 0.02 . 1 . . . . . 16 LYS H . 15610 1 152 . 1 1 16 16 LYS HA H 1 4.16 0.02 . 1 . . . . . 16 LYS HA . 15610 1 153 . 1 1 16 16 LYS HB2 H 1 1.86 0.02 . 2 . . . . . 16 LYS HB2 . 15610 1 154 . 1 1 16 16 LYS HB3 H 1 1.86 0.02 . 2 . . . . . 16 LYS HB3 . 15610 1 155 . 1 1 16 16 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 16 LYS HD2 . 15610 1 156 . 1 1 16 16 LYS HD3 H 1 1.68 0.02 . 2 . . . . . 16 LYS HD3 . 15610 1 157 . 1 1 16 16 LYS HE2 H 1 3.00 0.02 . 2 . . . . . 16 LYS HE2 . 15610 1 158 . 1 1 16 16 LYS HE3 H 1 3.00 0.02 . 2 . . . . . 16 LYS HE3 . 15610 1 159 . 1 1 16 16 LYS HG2 H 1 1.51 0.02 . 2 . . . . . 16 LYS HG2 . 15610 1 160 . 1 1 16 16 LYS HG3 H 1 1.60 0.02 . 2 . . . . . 16 LYS HG3 . 15610 1 161 . 1 1 16 16 LYS C C 13 176.8 0.2 . 1 . . . . . 16 LYS C . 15610 1 162 . 1 1 16 16 LYS CA C 13 58.0 0.2 . 1 . . . . . 16 LYS CA . 15610 1 163 . 1 1 16 16 LYS CB C 13 32.7 0.2 . 1 . . . . . 16 LYS CB . 15610 1 164 . 1 1 16 16 LYS CD C 13 28.4 0.2 . 1 . . . . . 16 LYS CD . 15610 1 165 . 1 1 16 16 LYS CE C 13 42.2 0.2 . 1 . . . . . 16 LYS CE . 15610 1 166 . 1 1 16 16 LYS CG C 13 25.1 0.2 . 1 . . . . . 16 LYS CG . 15610 1 167 . 1 1 16 16 LYS N N 15 121.3 0.2 . 1 . . . . . 16 LYS N . 15610 1 168 . 1 1 17 17 ILE H H 1 7.12 0.02 . 1 . . . . . 17 ILE H . 15610 1 169 . 1 1 17 17 ILE HA H 1 5.15 0.02 . 1 . . . . . 17 ILE HA . 15610 1 170 . 1 1 17 17 ILE HB H 1 1.47 0.02 . 1 . . . . . 17 ILE HB . 15610 1 171 . 1 1 17 17 ILE HD11 H 1 0.77 0.02 . 1 . . . . . 17 ILE HD1 . 15610 1 172 . 1 1 17 17 ILE HD12 H 1 0.77 0.02 . 1 . . . . . 17 ILE HD1 . 15610 1 173 . 1 1 17 17 ILE HD13 H 1 0.77 0.02 . 1 . . . . . 17 ILE HD1 . 15610 1 174 . 1 1 17 17 ILE HG12 H 1 0.94 0.02 . 2 . . . . . 17 ILE HG12 . 15610 1 175 . 1 1 17 17 ILE HG13 H 1 1.38 0.02 . 2 . . . . . 17 ILE HG13 . 15610 1 176 . 1 1 17 17 ILE HG21 H 1 0.64 0.02 . 1 . . . . . 17 ILE HG2 . 15610 1 177 . 1 1 17 17 ILE HG22 H 1 0.64 0.02 . 1 . . . . . 17 ILE HG2 . 15610 1 178 . 1 1 17 17 ILE HG23 H 1 0.64 0.02 . 1 . . . . . 17 ILE HG2 . 15610 1 179 . 1 1 17 17 ILE C C 13 175.1 0.2 . 1 . . . . . 17 ILE C . 15610 1 180 . 1 1 17 17 ILE CA C 13 59.2 0.2 . 1 . . . . . 17 ILE CA . 15610 1 181 . 1 1 17 17 ILE CB C 13 42.1 0.2 . 1 . . . . . 17 ILE CB . 15610 1 182 . 1 1 17 17 ILE CD1 C 13 13.6 0.2 . 1 . . . . . 17 ILE CD1 . 15610 1 183 . 1 1 17 17 ILE CG1 C 13 27.6 0.2 . 1 . . . . . 17 ILE CG1 . 15610 1 184 . 1 1 17 17 ILE CG2 C 13 16.1 0.2 . 1 . . . . . 17 ILE CG2 . 15610 1 185 . 1 1 17 17 ILE N N 15 116.8 0.2 . 1 . . . . . 17 ILE N . 15610 1 186 . 1 1 18 18 ILE H H 1 8.49 0.02 . 1 . . . . . 18 ILE H . 15610 1 187 . 1 1 18 18 ILE HA H 1 4.13 0.02 . 1 . . . . . 18 ILE HA . 15610 1 188 . 1 1 18 18 ILE HB H 1 1.18 0.02 . 1 . . . . . 18 ILE HB . 15610 1 189 . 1 1 18 18 ILE HD11 H 1 0.78 0.02 . 1 . . . . . 18 ILE HD1 . 15610 1 190 . 1 1 18 18 ILE HD12 H 1 0.78 0.02 . 1 . . . . . 18 ILE HD1 . 15610 1 191 . 1 1 18 18 ILE HD13 H 1 0.78 0.02 . 1 . . . . . 18 ILE HD1 . 15610 1 192 . 1 1 18 18 ILE HG12 H 1 0.73 0.02 . 2 . . . . . 18 ILE HG12 . 15610 1 193 . 1 1 18 18 ILE HG13 H 1 1.06 0.02 . 2 . . . . . 18 ILE HG13 . 15610 1 194 . 1 1 18 18 ILE HG21 H 1 0.58 0.02 . 1 . . . . . 18 ILE HG2 . 15610 1 195 . 1 1 18 18 ILE HG22 H 1 0.58 0.02 . 1 . . . . . 18 ILE HG2 . 15610 1 196 . 1 1 18 18 ILE HG23 H 1 0.58 0.02 . 1 . . . . . 18 ILE HG2 . 15610 1 197 . 1 1 18 18 ILE C C 13 174.8 0.2 . 1 . . . . . 18 ILE C . 15610 1 198 . 1 1 18 18 ILE CA C 13 60.9 0.2 . 1 . . . . . 18 ILE CA . 15610 1 199 . 1 1 18 18 ILE CB C 13 40.5 0.2 . 1 . . . . . 18 ILE CB . 15610 1 200 . 1 1 18 18 ILE CD1 C 13 13.3 0.2 . 1 . . . . . 18 ILE CD1 . 15610 1 201 . 1 1 18 18 ILE CG1 C 13 27.7 0.2 . 1 . . . . . 18 ILE CG1 . 15610 1 202 . 1 1 18 18 ILE CG2 C 13 16.6 0.2 . 1 . . . . . 18 ILE CG2 . 15610 1 203 . 1 1 18 18 ILE N N 15 127.1 0.2 . 1 . . . . . 18 ILE N . 15610 1 204 . 1 1 19 19 GLU H H 1 8.80 0.02 . 1 . . . . . 19 GLU H . 15610 1 205 . 1 1 19 19 GLU HA H 1 5.44 0.02 . 1 . . . . . 19 GLU HA . 15610 1 206 . 1 1 19 19 GLU HB2 H 1 1.76 0.02 . 2 . . . . . 19 GLU HB2 . 15610 1 207 . 1 1 19 19 GLU HB3 H 1 2.18 0.02 . 2 . . . . . 19 GLU HB3 . 15610 1 208 . 1 1 19 19 GLU HG2 H 1 1.95 0.02 . 2 . . . . . 19 GLU HG2 . 15610 1 209 . 1 1 19 19 GLU HG3 H 1 2.27 0.02 . 2 . . . . . 19 GLU HG3 . 15610 1 210 . 1 1 19 19 GLU C C 13 175.1 0.2 . 1 . . . . . 19 GLU C . 15610 1 211 . 1 1 19 19 GLU CA C 13 54.3 0.2 . 1 . . . . . 19 GLU CA . 15610 1 212 . 1 1 19 19 GLU CB C 13 30.7 0.2 . 1 . . . . . 19 GLU CB . 15610 1 213 . 1 1 19 19 GLU CG C 13 37.5 0.2 . 1 . . . . . 19 GLU CG . 15610 1 214 . 1 1 19 19 GLU N N 15 126.2 0.2 . 1 . . . . . 19 GLU N . 15610 1 215 . 1 1 20 20 ILE H H 1 8.61 0.02 . 1 . . . . . 20 ILE H . 15610 1 216 . 1 1 20 20 ILE HA H 1 4.61 0.02 . 1 . . . . . 20 ILE HA . 15610 1 217 . 1 1 20 20 ILE HB H 1 1.60 0.02 . 1 . . . . . 20 ILE HB . 15610 1 218 . 1 1 20 20 ILE HD11 H 1 -0.33 0.02 . 1 . . . . . 20 ILE HD1 . 15610 1 219 . 1 1 20 20 ILE HD12 H 1 -0.33 0.02 . 1 . . . . . 20 ILE HD1 . 15610 1 220 . 1 1 20 20 ILE HD13 H 1 -0.33 0.02 . 1 . . . . . 20 ILE HD1 . 15610 1 221 . 1 1 20 20 ILE HG12 H 1 0.56 0.02 . 2 . . . . . 20 ILE HG12 . 15610 1 222 . 1 1 20 20 ILE HG13 H 1 1.32 0.02 . 2 . . . . . 20 ILE HG13 . 15610 1 223 . 1 1 20 20 ILE HG21 H 1 -0.20 0.02 . 1 . . . . . 20 ILE HG2 . 15610 1 224 . 1 1 20 20 ILE HG22 H 1 -0.20 0.02 . 1 . . . . . 20 ILE HG2 . 15610 1 225 . 1 1 20 20 ILE HG23 H 1 -0.20 0.02 . 1 . . . . . 20 ILE HG2 . 15610 1 226 . 1 1 20 20 ILE C C 13 174.9 0.2 . 1 . . . . . 20 ILE C . 15610 1 227 . 1 1 20 20 ILE CA C 13 59.8 0.2 . 1 . . . . . 20 ILE CA . 15610 1 228 . 1 1 20 20 ILE CB C 13 42.6 0.2 . 1 . . . . . 20 ILE CB . 15610 1 229 . 1 1 20 20 ILE CD1 C 13 14.9 0.2 . 1 . . . . . 20 ILE CD1 . 15610 1 230 . 1 1 20 20 ILE CG1 C 13 24.7 0.2 . 1 . . . . . 20 ILE CG1 . 15610 1 231 . 1 1 20 20 ILE CG2 C 13 18.6 0.2 . 1 . . . . . 20 ILE CG2 . 15610 1 232 . 1 1 20 20 ILE N N 15 114.6 0.2 . 1 . . . . . 20 ILE N . 15610 1 233 . 1 1 21 21 GLY H H 1 9.82 0.02 . 1 . . . . . 21 GLY H . 15610 1 234 . 1 1 21 21 GLY HA2 H 1 3.48 0.02 . 2 . . . . . 21 GLY HA2 . 15610 1 235 . 1 1 21 21 GLY HA3 H 1 4.58 0.02 . 2 . . . . . 21 GLY HA3 . 15610 1 236 . 1 1 21 21 GLY C C 13 174.9 0.2 . 1 . . . . . 21 GLY C . 15610 1 237 . 1 1 21 21 GLY CA C 13 45.0 0.2 . 1 . . . . . 21 GLY CA . 15610 1 238 . 1 1 21 21 GLY N N 15 108.6 0.2 . 1 . . . . . 21 GLY N . 15610 1 239 . 1 1 22 22 VAL H H 1 7.00 0.02 . 1 . . . . . 22 VAL H . 15610 1 240 . 1 1 22 22 VAL HA H 1 4.88 0.02 . 1 . . . . . 22 VAL HA . 15610 1 241 . 1 1 22 22 VAL HB H 1 2.56 0.02 . 1 . . . . . 22 VAL HB . 15610 1 242 . 1 1 22 22 VAL HG11 H 1 1.03 0.02 . 2 . . . . . 22 VAL HG1 . 15610 1 243 . 1 1 22 22 VAL HG12 H 1 1.03 0.02 . 2 . . . . . 22 VAL HG1 . 15610 1 244 . 1 1 22 22 VAL HG13 H 1 1.03 0.02 . 2 . . . . . 22 VAL HG1 . 15610 1 245 . 1 1 22 22 VAL HG21 H 1 1.26 0.02 . 2 . . . . . 22 VAL HG2 . 15610 1 246 . 1 1 22 22 VAL HG22 H 1 1.26 0.02 . 2 . . . . . 22 VAL HG2 . 15610 1 247 . 1 1 22 22 VAL HG23 H 1 1.26 0.02 . 2 . . . . . 22 VAL HG2 . 15610 1 248 . 1 1 22 22 VAL C C 13 172.7 0.2 . 1 . . . . . 22 VAL C . 15610 1 249 . 1 1 22 22 VAL CA C 13 59.0 0.2 . 1 . . . . . 22 VAL CA . 15610 1 250 . 1 1 22 22 VAL CB C 13 36.7 0.2 . 1 . . . . . 22 VAL CB . 15610 1 251 . 1 1 22 22 VAL CG1 C 13 19.2 0.02 . 2 . . . . . 22 VAL CG1 . 15610 1 252 . 1 1 22 22 VAL CG2 C 13 23.1 0.02 . 2 . . . . . 22 VAL CG2 . 15610 1 253 . 1 1 22 22 VAL N N 15 110.3 0.2 . 1 . . . . . 22 VAL N . 15610 1 254 . 1 1 23 23 LYS H H 1 8.21 0.02 . 1 . . . . . 23 LYS H . 15610 1 255 . 1 1 23 23 LYS HA H 1 4.62 0.02 . 1 . . . . . 23 LYS HA . 15610 1 256 . 1 1 23 23 LYS HB2 H 1 1.62 0.02 . 2 . . . . . 23 LYS HB2 . 15610 1 257 . 1 1 23 23 LYS HB3 H 1 1.82 0.02 . 2 . . . . . 23 LYS HB3 . 15610 1 258 . 1 1 23 23 LYS HD2 H 1 1.31 0.02 . 2 . . . . . 23 LYS HD2 . 15610 1 259 . 1 1 23 23 LYS HD3 H 1 1.34 0.02 . 2 . . . . . 23 LYS HD3 . 15610 1 260 . 1 1 23 23 LYS HE2 H 1 2.25 0.02 . 2 . . . . . 23 LYS HE2 . 15610 1 261 . 1 1 23 23 LYS HE3 H 1 2.51 0.02 . 2 . . . . . 23 LYS HE3 . 15610 1 262 . 1 1 23 23 LYS HG2 H 1 0.71 0.02 . 2 . . . . . 23 LYS HG2 . 15610 1 263 . 1 1 23 23 LYS HG3 H 1 0.78 0.02 . 2 . . . . . 23 LYS HG3 . 15610 1 264 . 1 1 23 23 LYS C C 13 175.2 0.2 . 1 . . . . . 23 LYS C . 15610 1 265 . 1 1 23 23 LYS CA C 13 56.6 0.2 . 1 . . . . . 23 LYS CA . 15610 1 266 . 1 1 23 23 LYS CB C 13 34.9 0.2 . 1 . . . . . 23 LYS CB . 15610 1 267 . 1 1 23 23 LYS CD C 13 29.4 0.2 . 1 . . . . . 23 LYS CD . 15610 1 268 . 1 1 23 23 LYS CE C 13 42.7 0.2 . 1 . . . . . 23 LYS CE . 15610 1 269 . 1 1 23 23 LYS CG C 13 26.0 0.2 . 1 . . . . . 23 LYS CG . 15610 1 270 . 1 1 23 23 LYS N N 15 113.2 0.2 . 1 . . . . . 23 LYS N . 15610 1 271 . 1 1 24 24 GLU H H 1 6.94 0.02 . 1 . . . . . 24 GLU H . 15610 1 272 . 1 1 24 24 GLU HA H 1 5.26 0.02 . 1 . . . . . 24 GLU HA . 15610 1 273 . 1 1 24 24 GLU HB2 H 1 2.09 0.02 . 2 . . . . . 24 GLU HB2 . 15610 1 274 . 1 1 24 24 GLU HB3 H 1 2.09 0.02 . 2 . . . . . 24 GLU HB3 . 15610 1 275 . 1 1 24 24 GLU HG2 H 1 2.21 0.02 . 2 . . . . . 24 GLU HG2 . 15610 1 276 . 1 1 24 24 GLU HG3 H 1 2.21 0.02 . 2 . . . . . 24 GLU HG3 . 15610 1 277 . 1 1 24 24 GLU C C 13 174.8 0.2 . 1 . . . . . 24 GLU C . 15610 1 278 . 1 1 24 24 GLU CA C 13 54.9 0.2 . 1 . . . . . 24 GLU CA . 15610 1 279 . 1 1 24 24 GLU CB C 13 32.0 0.2 . 1 . . . . . 24 GLU CB . 15610 1 280 . 1 1 24 24 GLU CG C 13 36.0 0.2 . 1 . . . . . 24 GLU CG . 15610 1 281 . 1 1 24 24 GLU N N 15 116.5 0.2 . 1 . . . . . 24 GLU N . 15610 1 282 . 1 1 25 25 PHE H H 1 8.27 0.02 . 1 . . . . . 25 PHE H . 15610 1 283 . 1 1 25 25 PHE HA H 1 4.91 0.02 . 1 . . . . . 25 PHE HA . 15610 1 284 . 1 1 25 25 PHE HB2 H 1 2.89 0.02 . 2 . . . . . 25 PHE HB2 . 15610 1 285 . 1 1 25 25 PHE HB3 H 1 3.15 0.02 . 2 . . . . . 25 PHE HB3 . 15610 1 286 . 1 1 25 25 PHE HD1 H 1 6.71 0.02 . 3 . . . . . 25 PHE HD1 . 15610 1 287 . 1 1 25 25 PHE HD2 H 1 6.71 0.02 . 3 . . . . . 25 PHE HD2 . 15610 1 288 . 1 1 25 25 PHE C C 13 171.1 0.2 . 1 . . . . . 25 PHE C . 15610 1 289 . 1 1 25 25 PHE CA C 13 56.3 0.2 . 1 . . . . . 25 PHE CA . 15610 1 290 . 1 1 25 25 PHE CB C 13 40.2 0.2 . 1 . . . . . 25 PHE CB . 15610 1 291 . 1 1 25 25 PHE CD1 C 13 131.2 0.02 . 3 . . . . . 25 PHE CD1 . 15610 1 292 . 1 1 25 25 PHE CD2 C 13 131.2 0.02 . 3 . . . . . 25 PHE CD2 . 15610 1 293 . 1 1 25 25 PHE N N 15 119.7 0.2 . 1 . . . . . 25 PHE N . 15610 1 294 . 1 1 26 26 MET H H 1 8.57 0.02 . 1 . . . . . 26 MET H . 15610 1 295 . 1 1 26 26 MET HA H 1 5.52 0.02 . 1 . . . . . 26 MET HA . 15610 1 296 . 1 1 26 26 MET HB2 H 1 0.87 0.02 . 2 . . . . . 26 MET HB2 . 15610 1 297 . 1 1 26 26 MET HB3 H 1 1.19 0.02 . 2 . . . . . 26 MET HB3 . 15610 1 298 . 1 1 26 26 MET HE1 H 1 1.87 0.02 . 1 . . . . . 26 MET HE . 15610 1 299 . 1 1 26 26 MET HE2 H 1 1.87 0.02 . 1 . . . . . 26 MET HE . 15610 1 300 . 1 1 26 26 MET HE3 H 1 1.87 0.02 . 1 . . . . . 26 MET HE . 15610 1 301 . 1 1 26 26 MET HG2 H 1 1.85 0.02 . 2 . . . . . 26 MET HG2 . 15610 1 302 . 1 1 26 26 MET HG3 H 1 1.96 0.02 . 2 . . . . . 26 MET HG3 . 15610 1 303 . 1 1 26 26 MET CA C 13 52.6 0.2 . 1 . . . . . 26 MET CA . 15610 1 304 . 1 1 26 26 MET CB C 13 35.3 0.2 . 1 . . . . . 26 MET CB . 15610 1 305 . 1 1 26 26 MET CE C 13 17.8 0.2 . 1 . . . . . 26 MET CE . 15610 1 306 . 1 1 26 26 MET CG C 13 32.1 0.2 . 1 . . . . . 26 MET CG . 15610 1 307 . 1 1 26 26 MET N N 15 114.5 0.2 . 1 . . . . . 26 MET N . 15610 1 308 . 1 1 27 27 CYS HA H 1 5.20 0.02 . 1 . . . . . 27 CYS HA . 15610 1 309 . 1 1 27 27 CYS HB2 H 1 2.89 0.02 . 2 . . . . . 27 CYS HB2 . 15610 1 310 . 1 1 27 27 CYS HB3 H 1 3.38 0.02 . 2 . . . . . 27 CYS HB3 . 15610 1 311 . 1 1 27 27 CYS CA C 13 58.6 0.2 . 1 . . . . . 27 CYS CA . 15610 1 312 . 1 1 27 27 CYS CB C 13 32.0 0.2 . 1 . . . . . 27 CYS CB . 15610 1 313 . 1 1 28 28 VAL H H 1 8.28 0.02 . 1 . . . . . 28 VAL H . 15610 1 314 . 1 1 28 28 VAL HA H 1 4.23 0.02 . 1 . . . . . 28 VAL HA . 15610 1 315 . 1 1 28 28 VAL HB H 1 1.92 0.02 . 1 . . . . . 28 VAL HB . 15610 1 316 . 1 1 28 28 VAL HG11 H 1 -0.12 0.02 . 2 . . . . . 28 VAL HG1 . 15610 1 317 . 1 1 28 28 VAL HG12 H 1 -0.12 0.02 . 2 . . . . . 28 VAL HG1 . 15610 1 318 . 1 1 28 28 VAL HG13 H 1 -0.12 0.02 . 2 . . . . . 28 VAL HG1 . 15610 1 319 . 1 1 28 28 VAL HG21 H 1 0.22 0.02 . 2 . . . . . 28 VAL HG2 . 15610 1 320 . 1 1 28 28 VAL HG22 H 1 0.22 0.02 . 2 . . . . . 28 VAL HG2 . 15610 1 321 . 1 1 28 28 VAL HG23 H 1 0.22 0.02 . 2 . . . . . 28 VAL HG2 . 15610 1 322 . 1 1 28 28 VAL CA C 13 59.1 0.2 . 1 . . . . . 28 VAL CA . 15610 1 323 . 1 1 28 28 VAL CG1 C 13 19.6 0.02 . 2 . . . . . 28 VAL CG1 . 15610 1 324 . 1 1 28 28 VAL CG2 C 13 17.9 0.02 . 2 . . . . . 28 VAL CG2 . 15610 1 325 . 1 1 28 28 VAL N N 15 120.2 0.2 . 1 . . . . . 28 VAL N . 15610 1 326 . 1 1 29 29 GLY H H 1 8.50 0.02 . 1 . . . . . 29 GLY H . 15610 1 327 . 1 1 29 29 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 29 GLY HA2 . 15610 1 328 . 1 1 29 29 GLY HA3 H 1 3.93 0.02 . 2 . . . . . 29 GLY HA3 . 15610 1 329 . 1 1 29 29 GLY C C 13 173.7 0.2 . 1 . . . . . 29 GLY C . 15610 1 330 . 1 1 29 29 GLY CA C 13 45.2 0.2 . 1 . . . . . 29 GLY CA . 15610 1 331 . 1 1 29 29 GLY N N 15 113.0 0.2 . 1 . . . . . 29 GLY N . 15610 1 332 . 1 1 30 30 ALA H H 1 8.15 0.02 . 1 . . . . . 30 ALA H . 15610 1 333 . 1 1 30 30 ALA HA H 1 4.37 0.02 . 1 . . . . . 30 ALA HA . 15610 1 334 . 1 1 30 30 ALA HB1 H 1 1.38 0.02 . 1 . . . . . 30 ALA HB . 15610 1 335 . 1 1 30 30 ALA HB2 H 1 1.38 0.02 . 1 . . . . . 30 ALA HB . 15610 1 336 . 1 1 30 30 ALA HB3 H 1 1.38 0.02 . 1 . . . . . 30 ALA HB . 15610 1 337 . 1 1 30 30 ALA C C 13 177.9 0.2 . 1 . . . . . 30 ALA C . 15610 1 338 . 1 1 30 30 ALA CA C 13 52.5 0.2 . 1 . . . . . 30 ALA CA . 15610 1 339 . 1 1 30 30 ALA CB C 13 19.6 0.2 . 1 . . . . . 30 ALA CB . 15610 1 340 . 1 1 30 30 ALA N N 15 123.8 0.2 . 1 . . . . . 30 ALA N . 15610 1 341 . 1 1 31 31 THR H H 1 8.17 0.02 . 1 . . . . . 31 THR H . 15610 1 342 . 1 1 31 31 THR HA H 1 4.27 0.02 . 1 . . . . . 31 THR HA . 15610 1 343 . 1 1 31 31 THR HB H 1 4.16 0.02 . 1 . . . . . 31 THR HB . 15610 1 344 . 1 1 31 31 THR HG21 H 1 1.16 0.02 . 1 . . . . . 31 THR HG2 . 15610 1 345 . 1 1 31 31 THR HG22 H 1 1.16 0.02 . 1 . . . . . 31 THR HG2 . 15610 1 346 . 1 1 31 31 THR HG23 H 1 1.16 0.02 . 1 . . . . . 31 THR HG2 . 15610 1 347 . 1 1 31 31 THR CA C 13 62.1 0.2 . 1 . . . . . 31 THR CA . 15610 1 348 . 1 1 31 31 THR CB C 13 69.7 0.2 . 1 . . . . . 31 THR CB . 15610 1 349 . 1 1 31 31 THR CG2 C 13 21.7 0.2 . 1 . . . . . 31 THR CG2 . 15610 1 350 . 1 1 31 31 THR N N 15 113.6 0.2 . 1 . . . . . 31 THR N . 15610 1 351 . 1 1 32 32 GLN HE21 H 1 6.73 0.02 . 2 . . . . . 32 GLN HE21 . 15610 1 352 . 1 1 32 32 GLN HE22 H 1 7.41 0.02 . 2 . . . . . 32 GLN HE22 . 15610 1 353 . 1 1 32 32 GLN HG2 H 1 2.22 0.02 . 2 . . . . . 32 GLN HG2 . 15610 1 354 . 1 1 32 32 GLN HG3 H 1 2.94 0.02 . 2 . . . . . 32 GLN HG3 . 15610 1 355 . 1 1 32 32 GLN CG C 13 37.3 0.2 . 1 . . . . . 32 GLN CG . 15610 1 356 . 1 1 32 32 GLN NE2 N 15 110.5 0.2 . 1 . . . . . 32 GLN NE2 . 15610 1 357 . 1 1 33 33 PRO HA H 1 4.60 0.02 . 1 . . . . . 33 PRO HA . 15610 1 358 . 1 1 33 33 PRO HB2 H 1 1.90 0.02 . 2 . . . . . 33 PRO HB2 . 15610 1 359 . 1 1 33 33 PRO HB3 H 1 2.18 0.02 . 2 . . . . . 33 PRO HB3 . 15610 1 360 . 1 1 33 33 PRO HD2 H 1 3.19 0.02 . 2 . . . . . 33 PRO HD2 . 15610 1 361 . 1 1 33 33 PRO HD3 H 1 3.31 0.02 . 2 . . . . . 33 PRO HD3 . 15610 1 362 . 1 1 33 33 PRO HG2 H 1 0.50 0.02 . 2 . . . . . 33 PRO HG2 . 15610 1 363 . 1 1 33 33 PRO HG3 H 1 1.63 0.02 . 2 . . . . . 33 PRO HG3 . 15610 1 364 . 1 1 33 33 PRO C C 13 175.3 0.2 . 1 . . . . . 33 PRO C . 15610 1 365 . 1 1 33 33 PRO CA C 13 63.9 0.2 . 1 . . . . . 33 PRO CA . 15610 1 366 . 1 1 33 33 PRO CB C 13 32.4 0.2 . 1 . . . . . 33 PRO CB . 15610 1 367 . 1 1 33 33 PRO CD C 13 49.8 0.2 . 1 . . . . . 33 PRO CD . 15610 1 368 . 1 1 33 33 PRO CG C 13 23.7 0.2 . 1 . . . . . 33 PRO CG . 15610 1 369 . 1 1 34 34 PHE H H 1 8.90 0.02 . 1 . . . . . 34 PHE H . 15610 1 370 . 1 1 34 34 PHE HA H 1 4.85 0.02 . 1 . . . . . 34 PHE HA . 15610 1 371 . 1 1 34 34 PHE HB2 H 1 2.79 0.02 . 2 . . . . . 34 PHE HB2 . 15610 1 372 . 1 1 34 34 PHE HB3 H 1 3.58 0.02 . 2 . . . . . 34 PHE HB3 . 15610 1 373 . 1 1 34 34 PHE HD1 H 1 7.28 0.02 . 3 . . . . . 34 PHE HD1 . 15610 1 374 . 1 1 34 34 PHE HD2 H 1 7.28 0.02 . 3 . . . . . 34 PHE HD2 . 15610 1 375 . 1 1 34 34 PHE CA C 13 57.8 0.2 . 1 . . . . . 34 PHE CA . 15610 1 376 . 1 1 34 34 PHE CB C 13 38.2 0.2 . 1 . . . . . 34 PHE CB . 15610 1 377 . 1 1 34 34 PHE CD1 C 13 131.5 0.02 . 3 . . . . . 34 PHE CD1 . 15610 1 378 . 1 1 34 34 PHE CD2 C 13 131.5 0.02 . 3 . . . . . 34 PHE CD2 . 15610 1 379 . 1 1 34 34 PHE N N 15 127.5 0.2 . 1 . . . . . 34 PHE N . 15610 1 380 . 1 1 37 37 PRO HA H 1 4.27 0.02 . 1 . . . . . 37 PRO HA . 15610 1 381 . 1 1 37 37 PRO HB2 H 1 1.60 0.02 . 2 . . . . . 37 PRO HB2 . 15610 1 382 . 1 1 37 37 PRO HB3 H 1 2.29 0.02 . 2 . . . . . 37 PRO HB3 . 15610 1 383 . 1 1 37 37 PRO HD2 H 1 2.72 0.02 . 2 . . . . . 37 PRO HD2 . 15610 1 384 . 1 1 37 37 PRO HD3 H 1 3.68 0.02 . 2 . . . . . 37 PRO HD3 . 15610 1 385 . 1 1 37 37 PRO HG2 H 1 1.86 0.02 . 2 . . . . . 37 PRO HG2 . 15610 1 386 . 1 1 37 37 PRO HG3 H 1 1.86 0.02 . 2 . . . . . 37 PRO HG3 . 15610 1 387 . 1 1 37 37 PRO C C 13 177.1 0.2 . 1 . . . . . 37 PRO C . 15610 1 388 . 1 1 37 37 PRO CA C 13 63.5 0.2 . 1 . . . . . 37 PRO CA . 15610 1 389 . 1 1 37 37 PRO CB C 13 31.5 0.2 . 1 . . . . . 37 PRO CB . 15610 1 390 . 1 1 37 37 PRO CD C 13 50.8 0.2 . 1 . . . . . 37 PRO CD . 15610 1 391 . 1 1 37 37 PRO CG C 13 28.2 0.2 . 1 . . . . . 37 PRO CG . 15610 1 392 . 1 1 38 38 HIS H H 1 9.20 0.02 . 1 . . . . . 38 HIS H . 15610 1 393 . 1 1 38 38 HIS HA H 1 4.85 0.02 . 1 . . . . . 38 HIS HA . 15610 1 394 . 1 1 38 38 HIS HB2 H 1 2.87 0.02 . 2 . . . . . 38 HIS HB2 . 15610 1 395 . 1 1 38 38 HIS HB3 H 1 3.22 0.02 . 2 . . . . . 38 HIS HB3 . 15610 1 396 . 1 1 38 38 HIS C C 13 175.1 0.2 . 1 . . . . . 38 HIS C . 15610 1 397 . 1 1 38 38 HIS CA C 13 56.1 0.2 . 1 . . . . . 38 HIS CA . 15610 1 398 . 1 1 38 38 HIS CB C 13 29.8 0.2 . 1 . . . . . 38 HIS CB . 15610 1 399 . 1 1 38 38 HIS N N 15 124.8 0.2 . 1 . . . . . 38 HIS N . 15610 1 400 . 1 1 39 39 ILE H H 1 8.35 0.02 . 1 . . . . . 39 ILE H . 15610 1 401 . 1 1 39 39 ILE HA H 1 4.81 0.02 . 1 . . . . . 39 ILE HA . 15610 1 402 . 1 1 39 39 ILE HB H 1 1.93 0.02 . 1 . . . . . 39 ILE HB . 15610 1 403 . 1 1 39 39 ILE HD11 H 1 0.82 0.02 . 1 . . . . . 39 ILE HD1 . 15610 1 404 . 1 1 39 39 ILE HD12 H 1 0.82 0.02 . 1 . . . . . 39 ILE HD1 . 15610 1 405 . 1 1 39 39 ILE HD13 H 1 0.82 0.02 . 1 . . . . . 39 ILE HD1 . 15610 1 406 . 1 1 39 39 ILE HG12 H 1 1.25 0.02 . 2 . . . . . 39 ILE HG12 . 15610 1 407 . 1 1 39 39 ILE HG13 H 1 1.52 0.02 . 2 . . . . . 39 ILE HG13 . 15610 1 408 . 1 1 39 39 ILE HG21 H 1 1.26 0.02 . 1 . . . . . 39 ILE HG2 . 15610 1 409 . 1 1 39 39 ILE HG22 H 1 1.26 0.02 . 1 . . . . . 39 ILE HG2 . 15610 1 410 . 1 1 39 39 ILE HG23 H 1 1.26 0.02 . 1 . . . . . 39 ILE HG2 . 15610 1 411 . 1 1 39 39 ILE C C 13 172.5 0.2 . 1 . . . . . 39 ILE C . 15610 1 412 . 1 1 39 39 ILE CA C 13 57.8 0.2 . 1 . . . . . 39 ILE CA . 15610 1 413 . 1 1 39 39 ILE CB C 13 41.7 0.2 . 1 . . . . . 39 ILE CB . 15610 1 414 . 1 1 39 39 ILE CD1 C 13 13.3 0.2 . 1 . . . . . 39 ILE CD1 . 15610 1 415 . 1 1 39 39 ILE CG1 C 13 28.4 0.2 . 1 . . . . . 39 ILE CG1 . 15610 1 416 . 1 1 39 39 ILE CG2 C 13 18.2 0.2 . 1 . . . . . 39 ILE CG2 . 15610 1 417 . 1 1 39 39 ILE N N 15 124.0 0.2 . 1 . . . . . 39 ILE N . 15610 1 418 . 1 1 40 40 PHE H H 1 8.39 0.02 . 1 . . . . . 40 PHE H . 15610 1 419 . 1 1 40 40 PHE HA H 1 4.79 0.02 . 1 . . . . . 40 PHE HA . 15610 1 420 . 1 1 40 40 PHE HB2 H 1 2.83 0.02 . 2 . . . . . 40 PHE HB2 . 15610 1 421 . 1 1 40 40 PHE HB3 H 1 2.83 0.02 . 2 . . . . . 40 PHE HB3 . 15610 1 422 . 1 1 40 40 PHE HD1 H 1 6.96 0.02 . 3 . . . . . 40 PHE HD1 . 15610 1 423 . 1 1 40 40 PHE HD2 H 1 6.96 0.02 . 3 . . . . . 40 PHE HD2 . 15610 1 424 . 1 1 40 40 PHE HE1 H 1 6.69 0.02 . 3 . . . . . 40 PHE HE1 . 15610 1 425 . 1 1 40 40 PHE HE2 H 1 6.69 0.02 . 3 . . . . . 40 PHE HE2 . 15610 1 426 . 1 1 40 40 PHE C C 13 173.9 0.2 . 1 . . . . . 40 PHE C . 15610 1 427 . 1 1 40 40 PHE CA C 13 57.4 0.2 . 1 . . . . . 40 PHE CA . 15610 1 428 . 1 1 40 40 PHE CB C 13 39.5 0.2 . 1 . . . . . 40 PHE CB . 15610 1 429 . 1 1 40 40 PHE CD1 C 13 131.6 0.02 . 3 . . . . . 40 PHE CD1 . 15610 1 430 . 1 1 40 40 PHE CD2 C 13 131.6 0.02 . 3 . . . . . 40 PHE CD2 . 15610 1 431 . 1 1 40 40 PHE N N 15 127.8 0.2 . 1 . . . . . 40 PHE N . 15610 1 432 . 1 1 41 41 ILE H H 1 8.59 0.02 . 1 . . . . . 41 ILE H . 15610 1 433 . 1 1 41 41 ILE HA H 1 3.44 0.02 . 1 . . . . . 41 ILE HA . 15610 1 434 . 1 1 41 41 ILE HB H 1 -0.19 0.02 . 1 . . . . . 41 ILE HB . 15610 1 435 . 1 1 41 41 ILE HD11 H 1 0.77 0.02 . 1 . . . . . 41 ILE HD1 . 15610 1 436 . 1 1 41 41 ILE HD12 H 1 0.77 0.02 . 1 . . . . . 41 ILE HD1 . 15610 1 437 . 1 1 41 41 ILE HD13 H 1 0.77 0.02 . 1 . . . . . 41 ILE HD1 . 15610 1 438 . 1 1 41 41 ILE HG12 H 1 0.60 0.02 . 2 . . . . . 41 ILE HG12 . 15610 1 439 . 1 1 41 41 ILE HG13 H 1 1.23 0.02 . 2 . . . . . 41 ILE HG13 . 15610 1 440 . 1 1 41 41 ILE HG21 H 1 0.30 0.02 . 1 . . . . . 41 ILE HG2 . 15610 1 441 . 1 1 41 41 ILE HG22 H 1 0.30 0.02 . 1 . . . . . 41 ILE HG2 . 15610 1 442 . 1 1 41 41 ILE HG23 H 1 0.30 0.02 . 1 . . . . . 41 ILE HG2 . 15610 1 443 . 1 1 41 41 ILE C C 13 170.4 0.2 . 1 . . . . . 41 ILE C . 15610 1 444 . 1 1 41 41 ILE CA C 13 60.5 0.2 . 1 . . . . . 41 ILE CA . 15610 1 445 . 1 1 41 41 ILE CB C 13 38.2 0.2 . 1 . . . . . 41 ILE CB . 15610 1 446 . 1 1 41 41 ILE CD1 C 13 13.2 0.2 . 1 . . . . . 41 ILE CD1 . 15610 1 447 . 1 1 41 41 ILE CG1 C 13 27.3 0.2 . 1 . . . . . 41 ILE CG1 . 15610 1 448 . 1 1 41 41 ILE CG2 C 13 18.5 0.2 . 1 . . . . . 41 ILE CG2 . 15610 1 449 . 1 1 41 41 ILE N N 15 132.1 0.2 . 1 . . . . . 41 ILE N . 15610 1 450 . 1 1 42 42 ASP H H 1 7.56 0.02 . 1 . . . . . 42 ASP H . 15610 1 451 . 1 1 42 42 ASP HA H 1 5.00 0.02 . 1 . . . . . 42 ASP HA . 15610 1 452 . 1 1 42 42 ASP HB2 H 1 2.32 0.02 . 2 . . . . . 42 ASP HB2 . 15610 1 453 . 1 1 42 42 ASP HB3 H 1 2.58 0.02 . 2 . . . . . 42 ASP HB3 . 15610 1 454 . 1 1 42 42 ASP C C 13 177.7 0.2 . 1 . . . . . 42 ASP C . 15610 1 455 . 1 1 42 42 ASP CA C 13 50.5 0.2 . 1 . . . . . 42 ASP CA . 15610 1 456 . 1 1 42 42 ASP CB C 13 42.5 0.2 . 1 . . . . . 42 ASP CB . 15610 1 457 . 1 1 42 42 ASP N N 15 121.8 0.2 . 1 . . . . . 42 ASP N . 15610 1 458 . 1 1 43 43 MET H H 1 9.27 0.02 . 1 . . . . . 43 MET H . 15610 1 459 . 1 1 43 43 MET HA H 1 3.80 0.02 . 1 . . . . . 43 MET HA . 15610 1 460 . 1 1 43 43 MET HB2 H 1 1.76 0.02 . 2 . . . . . 43 MET HB2 . 15610 1 461 . 1 1 43 43 MET HB3 H 1 2.16 0.02 . 2 . . . . . 43 MET HB3 . 15610 1 462 . 1 1 43 43 MET HE1 H 1 2.02 0.02 . 1 . . . . . 43 MET HE . 15610 1 463 . 1 1 43 43 MET HE2 H 1 2.02 0.02 . 1 . . . . . 43 MET HE . 15610 1 464 . 1 1 43 43 MET HE3 H 1 2.02 0.02 . 1 . . . . . 43 MET HE . 15610 1 465 . 1 1 43 43 MET HG2 H 1 2.34 0.02 . 2 . . . . . 43 MET HG2 . 15610 1 466 . 1 1 43 43 MET HG3 H 1 2.75 0.02 . 2 . . . . . 43 MET HG3 . 15610 1 467 . 1 1 43 43 MET C C 13 177.8 0.2 . 1 . . . . . 43 MET C . 15610 1 468 . 1 1 43 43 MET CA C 13 58.4 0.2 . 1 . . . . . 43 MET CA . 15610 1 469 . 1 1 43 43 MET CB C 13 32.8 0.2 . 1 . . . . . 43 MET CB . 15610 1 470 . 1 1 43 43 MET CE C 13 18.7 0.2 . 1 . . . . . 43 MET CE . 15610 1 471 . 1 1 43 43 MET CG C 13 34.2 0.2 . 1 . . . . . 43 MET CG . 15610 1 472 . 1 1 43 43 MET N N 15 123.1 0.2 . 1 . . . . . 43 MET N . 15610 1 473 . 1 1 44 44 GLY H H 1 8.80 0.02 . 1 . . . . . 44 GLY H . 15610 1 474 . 1 1 44 44 GLY HA2 H 1 3.61 0.02 . 2 . . . . . 44 GLY HA2 . 15610 1 475 . 1 1 44 44 GLY HA3 H 1 3.83 0.02 . 2 . . . . . 44 GLY HA3 . 15610 1 476 . 1 1 44 44 GLY C C 13 175.2 0.2 . 1 . . . . . 44 GLY C . 15610 1 477 . 1 1 44 44 GLY CA C 13 47.1 0.2 . 1 . . . . . 44 GLY CA . 15610 1 478 . 1 1 44 44 GLY N N 15 109.1 0.2 . 1 . . . . . 44 GLY N . 15610 1 479 . 1 1 45 45 SER H H 1 8.90 0.02 . 1 . . . . . 45 SER H . 15610 1 480 . 1 1 45 45 SER HA H 1 4.44 0.02 . 1 . . . . . 45 SER HA . 15610 1 481 . 1 1 45 45 SER HB2 H 1 3.89 0.02 . 2 . . . . . 45 SER HB2 . 15610 1 482 . 1 1 45 45 SER HB3 H 1 4.02 0.02 . 2 . . . . . 45 SER HB3 . 15610 1 483 . 1 1 45 45 SER C C 13 174.7 0.2 . 1 . . . . . 45 SER C . 15610 1 484 . 1 1 45 45 SER CA C 13 58.7 0.2 . 1 . . . . . 45 SER CA . 15610 1 485 . 1 1 45 45 SER CB C 13 63.4 0.2 . 1 . . . . . 45 SER CB . 15610 1 486 . 1 1 45 45 SER N N 15 121.3 0.2 . 1 . . . . . 45 SER N . 15610 1 487 . 1 1 46 46 THR H H 1 7.91 0.02 . 1 . . . . . 46 THR H . 15610 1 488 . 1 1 46 46 THR HA H 1 4.71 0.02 . 1 . . . . . 46 THR HA . 15610 1 489 . 1 1 46 46 THR HB H 1 4.47 0.02 . 1 . . . . . 46 THR HB . 15610 1 490 . 1 1 46 46 THR HG21 H 1 1.36 0.02 . 1 . . . . . 46 THR HG2 . 15610 1 491 . 1 1 46 46 THR HG22 H 1 1.36 0.02 . 1 . . . . . 46 THR HG2 . 15610 1 492 . 1 1 46 46 THR HG23 H 1 1.36 0.02 . 1 . . . . . 46 THR HG2 . 15610 1 493 . 1 1 46 46 THR C C 13 173.0 0.2 . 1 . . . . . 46 THR C . 15610 1 494 . 1 1 46 46 THR CA C 13 60.9 0.2 . 1 . . . . . 46 THR CA . 15610 1 495 . 1 1 46 46 THR CB C 13 70.6 0.2 . 1 . . . . . 46 THR CB . 15610 1 496 . 1 1 46 46 THR CG2 C 13 21.7 0.2 . 1 . . . . . 46 THR CG2 . 15610 1 497 . 1 1 46 46 THR N N 15 115.1 0.2 . 1 . . . . . 46 THR N . 15610 1 498 . 1 1 47 47 ASP H H 1 8.40 0.02 . 1 . . . . . 47 ASP H . 15610 1 499 . 1 1 47 47 ASP HA H 1 4.98 0.02 . 1 . . . . . 47 ASP HA . 15610 1 500 . 1 1 47 47 ASP HB2 H 1 2.89 0.02 . 2 . . . . . 47 ASP HB2 . 15610 1 501 . 1 1 47 47 ASP HB3 H 1 3.10 0.02 . 2 . . . . . 47 ASP HB3 . 15610 1 502 . 1 1 47 47 ASP C C 13 175.0 0.2 . 1 . . . . . 47 ASP C . 15610 1 503 . 1 1 47 47 ASP CA C 13 54.0 0.2 . 1 . . . . . 47 ASP CA . 15610 1 504 . 1 1 47 47 ASP CB C 13 42.1 0.2 . 1 . . . . . 47 ASP CB . 15610 1 505 . 1 1 47 47 ASP N N 15 116.0 0.2 . 1 . . . . . 47 ASP N . 15610 1 506 . 1 1 48 48 GLU H H 1 7.50 0.02 . 1 . . . . . 48 GLU H . 15610 1 507 . 1 1 48 48 GLU HA H 1 5.59 0.02 . 1 . . . . . 48 GLU HA . 15610 1 508 . 1 1 48 48 GLU HB2 H 1 1.90 0.02 . 2 . . . . . 48 GLU HB2 . 15610 1 509 . 1 1 48 48 GLU HB3 H 1 2.21 0.02 . 2 . . . . . 48 GLU HB3 . 15610 1 510 . 1 1 48 48 GLU HG2 H 1 2.07 0.02 . 2 . . . . . 48 GLU HG2 . 15610 1 511 . 1 1 48 48 GLU HG3 H 1 2.22 0.02 . 2 . . . . . 48 GLU HG3 . 15610 1 512 . 1 1 48 48 GLU C C 13 175.1 0.2 . 1 . . . . . 48 GLU C . 15610 1 513 . 1 1 48 48 GLU CA C 13 55.2 0.2 . 1 . . . . . 48 GLU CA . 15610 1 514 . 1 1 48 48 GLU CB C 13 32.9 0.2 . 1 . . . . . 48 GLU CB . 15610 1 515 . 1 1 48 48 GLU CG C 13 35.2 0.2 . 1 . . . . . 48 GLU CG . 15610 1 516 . 1 1 48 48 GLU N N 15 115.2 0.2 . 1 . . . . . 48 GLU N . 15610 1 517 . 1 1 49 49 LYS H H 1 9.18 0.02 . 1 . . . . . 49 LYS H . 15610 1 518 . 1 1 49 49 LYS HA H 1 4.51 0.02 . 1 . . . . . 49 LYS HA . 15610 1 519 . 1 1 49 49 LYS HB2 H 1 1.63 0.02 . 2 . . . . . 49 LYS HB2 . 15610 1 520 . 1 1 49 49 LYS HB3 H 1 1.71 0.02 . 2 . . . . . 49 LYS HB3 . 15610 1 521 . 1 1 49 49 LYS HD2 H 1 1.71 0.02 . 2 . . . . . 49 LYS HD2 . 15610 1 522 . 1 1 49 49 LYS HD3 H 1 1.71 0.02 . 2 . . . . . 49 LYS HD3 . 15610 1 523 . 1 1 49 49 LYS HE2 H 1 3.05 0.02 . 2 . . . . . 49 LYS HE2 . 15610 1 524 . 1 1 49 49 LYS HE3 H 1 3.05 0.02 . 2 . . . . . 49 LYS HE3 . 15610 1 525 . 1 1 49 49 LYS HG2 H 1 1.40 0.02 . 2 . . . . . 49 LYS HG2 . 15610 1 526 . 1 1 49 49 LYS HG3 H 1 1.49 0.02 . 2 . . . . . 49 LYS HG3 . 15610 1 527 . 1 1 49 49 LYS C C 13 173.9 0.2 . 1 . . . . . 49 LYS C . 15610 1 528 . 1 1 49 49 LYS CA C 13 56.1 0.2 . 1 . . . . . 49 LYS CA . 15610 1 529 . 1 1 49 49 LYS CB C 13 38.5 0.2 . 1 . . . . . 49 LYS CB . 15610 1 530 . 1 1 49 49 LYS CD C 13 29.6 0.2 . 1 . . . . . 49 LYS CD . 15610 1 531 . 1 1 49 49 LYS CE C 13 42.2 0.2 . 1 . . . . . 49 LYS CE . 15610 1 532 . 1 1 49 49 LYS CG C 13 25.9 0.2 . 1 . . . . . 49 LYS CG . 15610 1 533 . 1 1 49 49 LYS N N 15 121.2 0.2 . 1 . . . . . 49 LYS N . 15610 1 534 . 1 1 50 50 ILE H H 1 8.13 0.02 . 1 . . . . . 50 ILE H . 15610 1 535 . 1 1 50 50 ILE HA H 1 5.04 0.02 . 1 . . . . . 50 ILE HA . 15610 1 536 . 1 1 50 50 ILE HB H 1 1.57 0.02 . 1 . . . . . 50 ILE HB . 15610 1 537 . 1 1 50 50 ILE HD11 H 1 0.85 0.02 . 1 . . . . . 50 ILE HD1 . 15610 1 538 . 1 1 50 50 ILE HD12 H 1 0.85 0.02 . 1 . . . . . 50 ILE HD1 . 15610 1 539 . 1 1 50 50 ILE HD13 H 1 0.85 0.02 . 1 . . . . . 50 ILE HD1 . 15610 1 540 . 1 1 50 50 ILE HG12 H 1 0.93 0.02 . 2 . . . . . 50 ILE HG12 . 15610 1 541 . 1 1 50 50 ILE HG13 H 1 1.43 0.02 . 2 . . . . . 50 ILE HG13 . 15610 1 542 . 1 1 50 50 ILE HG21 H 1 0.73 0.02 . 1 . . . . . 50 ILE HG2 . 15610 1 543 . 1 1 50 50 ILE HG22 H 1 0.73 0.02 . 1 . . . . . 50 ILE HG2 . 15610 1 544 . 1 1 50 50 ILE HG23 H 1 0.73 0.02 . 1 . . . . . 50 ILE HG2 . 15610 1 545 . 1 1 50 50 ILE C C 13 176.2 0.2 . 1 . . . . . 50 ILE C . 15610 1 546 . 1 1 50 50 ILE CA C 13 59.5 0.2 . 1 . . . . . 50 ILE CA . 15610 1 547 . 1 1 50 50 ILE CB C 13 40.6 0.2 . 1 . . . . . 50 ILE CB . 15610 1 548 . 1 1 50 50 ILE CD1 C 13 13.6 0.2 . 1 . . . . . 50 ILE CD1 . 15610 1 549 . 1 1 50 50 ILE CG1 C 13 28.9 0.2 . 1 . . . . . 50 ILE CG1 . 15610 1 550 . 1 1 50 50 ILE CG2 C 13 17.3 0.2 . 1 . . . . . 50 ILE CG2 . 15610 1 551 . 1 1 50 50 ILE N N 15 123.0 0.2 . 1 . . . . . 50 ILE N . 15610 1 552 . 1 1 51 51 CYS H H 1 8.80 0.02 . 1 . . . . . 51 CYS H . 15610 1 553 . 1 1 51 51 CYS HA H 1 4.82 0.02 . 1 . . . . . 51 CYS HA . 15610 1 554 . 1 1 51 51 CYS HB2 H 1 3.02 0.02 . 2 . . . . . 51 CYS HB2 . 15610 1 555 . 1 1 51 51 CYS HB3 H 1 3.42 0.02 . 2 . . . . . 51 CYS HB3 . 15610 1 556 . 1 1 51 51 CYS CA C 13 56.5 0.2 . 1 . . . . . 51 CYS CA . 15610 1 557 . 1 1 51 51 CYS CB C 13 31.3 0.2 . 1 . . . . . 51 CYS CB . 15610 1 558 . 1 1 51 51 CYS N N 15 128.4 0.2 . 1 . . . . . 51 CYS N . 15610 1 559 . 1 1 52 52 PRO HA H 1 4.36 0.02 . 1 . . . . . 52 PRO HA . 15610 1 560 . 1 1 52 52 PRO HB2 H 1 1.65 0.02 . 2 . . . . . 52 PRO HB2 . 15610 1 561 . 1 1 52 52 PRO HB3 H 1 2.19 0.02 . 2 . . . . . 52 PRO HB3 . 15610 1 562 . 1 1 52 52 PRO HD2 H 1 3.96 0.02 . 2 . . . . . 52 PRO HD2 . 15610 1 563 . 1 1 52 52 PRO HD3 H 1 4.09 0.02 . 2 . . . . . 52 PRO HD3 . 15610 1 564 . 1 1 52 52 PRO HG2 H 1 1.60 0.02 . 2 . . . . . 52 PRO HG2 . 15610 1 565 . 1 1 52 52 PRO HG3 H 1 1.94 0.02 . 2 . . . . . 52 PRO HG3 . 15610 1 566 . 1 1 52 52 PRO C C 13 177.0 0.2 . 1 . . . . . 52 PRO C . 15610 1 567 . 1 1 52 52 PRO CA C 13 64.0 0.2 . 1 . . . . . 52 PRO CA . 15610 1 568 . 1 1 52 52 PRO CB C 13 32.2 0.2 . 1 . . . . . 52 PRO CB . 15610 1 569 . 1 1 52 52 PRO CD C 13 51.0 0.2 . 1 . . . . . 52 PRO CD . 15610 1 570 . 1 1 52 52 PRO CG C 13 27.0 0.2 . 1 . . . . . 52 PRO CG . 15610 1 571 . 1 1 53 53 TYR H H 1 8.99 0.02 . 1 . . . . . 53 TYR H . 15610 1 572 . 1 1 53 53 TYR HA H 1 4.56 0.02 . 1 . . . . . 53 TYR HA . 15610 1 573 . 1 1 53 53 TYR HB2 H 1 1.42 0.02 . 2 . . . . . 53 TYR HB2 . 15610 1 574 . 1 1 53 53 TYR HB3 H 1 2.39 0.02 . 2 . . . . . 53 TYR HB3 . 15610 1 575 . 1 1 53 53 TYR HD1 H 1 6.78 0.02 . 3 . . . . . 53 TYR HD1 . 15610 1 576 . 1 1 53 53 TYR HD2 H 1 6.78 0.02 . 3 . . . . . 53 TYR HD2 . 15610 1 577 . 1 1 53 53 TYR C C 13 177.0 0.2 . 1 . . . . . 53 TYR C . 15610 1 578 . 1 1 53 53 TYR CA C 13 59.3 0.2 . 1 . . . . . 53 TYR CA . 15610 1 579 . 1 1 53 53 TYR CB C 13 37.8 0.2 . 1 . . . . . 53 TYR CB . 15610 1 580 . 1 1 53 53 TYR CD1 C 13 132.1 0.02 . 3 . . . . . 53 TYR CD1 . 15610 1 581 . 1 1 53 53 TYR CD2 C 13 132.1 0.02 . 3 . . . . . 53 TYR CD2 . 15610 1 582 . 1 1 53 53 TYR N N 15 120.1 0.2 . 1 . . . . . 53 TYR N . 15610 1 583 . 1 1 54 54 CYS H H 1 8.41 0.02 . 1 . . . . . 54 CYS H . 15610 1 584 . 1 1 54 54 CYS HA H 1 5.18 0.02 . 1 . . . . . 54 CYS HA . 15610 1 585 . 1 1 54 54 CYS HB2 H 1 3.24 0.02 . 2 . . . . . 54 CYS HB2 . 15610 1 586 . 1 1 54 54 CYS HB3 H 1 3.55 0.02 . 2 . . . . . 54 CYS HB3 . 15610 1 587 . 1 1 54 54 CYS C C 13 175.8 0.2 . 1 . . . . . 54 CYS C . 15610 1 588 . 1 1 54 54 CYS CA C 13 58.6 0.2 . 1 . . . . . 54 CYS CA . 15610 1 589 . 1 1 54 54 CYS CB C 13 31.2 0.2 . 1 . . . . . 54 CYS CB . 15610 1 590 . 1 1 54 54 CYS N N 15 117.1 0.2 . 1 . . . . . 54 CYS N . 15610 1 591 . 1 1 55 55 SER H H 1 8.09 0.02 . 1 . . . . . 55 SER H . 15610 1 592 . 1 1 55 55 SER HA H 1 4.38 0.02 . 1 . . . . . 55 SER HA . 15610 1 593 . 1 1 55 55 SER HB2 H 1 3.80 0.02 . 2 . . . . . 55 SER HB2 . 15610 1 594 . 1 1 55 55 SER HB3 H 1 3.80 0.02 . 2 . . . . . 55 SER HB3 . 15610 1 595 . 1 1 55 55 SER C C 13 172.8 0.2 . 1 . . . . . 55 SER C . 15610 1 596 . 1 1 55 55 SER CA C 13 58.5 0.2 . 1 . . . . . 55 SER CA . 15610 1 597 . 1 1 55 55 SER CB C 13 63.7 0.2 . 1 . . . . . 55 SER CB . 15610 1 598 . 1 1 55 55 SER N N 15 114.4 0.2 . 1 . . . . . 55 SER N . 15610 1 599 . 1 1 56 56 THR H H 1 7.83 0.02 . 1 . . . . . 56 THR H . 15610 1 600 . 1 1 56 56 THR HA H 1 3.62 0.02 . 1 . . . . . 56 THR HA . 15610 1 601 . 1 1 56 56 THR HB H 1 3.80 0.02 . 1 . . . . . 56 THR HB . 15610 1 602 . 1 1 56 56 THR HG21 H 1 0.33 0.02 . 1 . . . . . 56 THR HG2 . 15610 1 603 . 1 1 56 56 THR HG22 H 1 0.33 0.02 . 1 . . . . . 56 THR HG2 . 15610 1 604 . 1 1 56 56 THR HG23 H 1 0.33 0.02 . 1 . . . . . 56 THR HG2 . 15610 1 605 . 1 1 56 56 THR C C 13 171.7 0.2 . 1 . . . . . 56 THR C . 15610 1 606 . 1 1 56 56 THR CA C 13 65.3 0.2 . 1 . . . . . 56 THR CA . 15610 1 607 . 1 1 56 56 THR CB C 13 68.9 0.2 . 1 . . . . . 56 THR CB . 15610 1 608 . 1 1 56 56 THR CG2 C 13 20.1 0.2 . 1 . . . . . 56 THR CG2 . 15610 1 609 . 1 1 56 56 THR N N 15 119.8 0.2 . 1 . . . . . 56 THR N . 15610 1 610 . 1 1 57 57 LEU H H 1 7.64 0.02 . 1 . . . . . 57 LEU H . 15610 1 611 . 1 1 57 57 LEU HA H 1 4.44 0.02 . 1 . . . . . 57 LEU HA . 15610 1 612 . 1 1 57 57 LEU HB2 H 1 1.30 0.02 . 2 . . . . . 57 LEU HB2 . 15610 1 613 . 1 1 57 57 LEU HB3 H 1 2.05 0.02 . 2 . . . . . 57 LEU HB3 . 15610 1 614 . 1 1 57 57 LEU HD11 H 1 0.75 0.02 . 2 . . . . . 57 LEU HD1 . 15610 1 615 . 1 1 57 57 LEU HD12 H 1 0.75 0.02 . 2 . . . . . 57 LEU HD1 . 15610 1 616 . 1 1 57 57 LEU HD13 H 1 0.75 0.02 . 2 . . . . . 57 LEU HD1 . 15610 1 617 . 1 1 57 57 LEU HD21 H 1 0.74 0.02 . 2 . . . . . 57 LEU HD2 . 15610 1 618 . 1 1 57 57 LEU HD22 H 1 0.74 0.02 . 2 . . . . . 57 LEU HD2 . 15610 1 619 . 1 1 57 57 LEU HD23 H 1 0.74 0.02 . 2 . . . . . 57 LEU HD2 . 15610 1 620 . 1 1 57 57 LEU HG H 1 1.23 0.02 . 1 . . . . . 57 LEU HG . 15610 1 621 . 1 1 57 57 LEU C C 13 172.9 0.2 . 1 . . . . . 57 LEU C . 15610 1 622 . 1 1 57 57 LEU CA C 13 54.9 0.2 . 1 . . . . . 57 LEU CA . 15610 1 623 . 1 1 57 57 LEU CB C 13 42.5 0.2 . 1 . . . . . 57 LEU CB . 15610 1 624 . 1 1 57 57 LEU CD1 C 13 24.4 0.02 . 2 . . . . . 57 LEU CD1 . 15610 1 625 . 1 1 57 57 LEU CD2 C 13 25.4 0.02 . 2 . . . . . 57 LEU CD2 . 15610 1 626 . 1 1 57 57 LEU CG C 13 27.5 0.2 . 1 . . . . . 57 LEU CG . 15610 1 627 . 1 1 57 57 LEU N N 15 128.6 0.2 . 1 . . . . . 57 LEU N . 15610 1 628 . 1 1 58 58 TYR H H 1 8.57 0.02 . 1 . . . . . 58 TYR H . 15610 1 629 . 1 1 58 58 TYR HA H 1 5.25 0.02 . 1 . . . . . 58 TYR HA . 15610 1 630 . 1 1 58 58 TYR HB2 H 1 2.16 0.02 . 2 . . . . . 58 TYR HB2 . 15610 1 631 . 1 1 58 58 TYR HB3 H 1 2.85 0.02 . 2 . . . . . 58 TYR HB3 . 15610 1 632 . 1 1 58 58 TYR HD1 H 1 6.45 0.02 . 3 . . . . . 58 TYR HD1 . 15610 1 633 . 1 1 58 58 TYR HD2 H 1 6.45 0.02 . 3 . . . . . 58 TYR HD2 . 15610 1 634 . 1 1 58 58 TYR C C 13 174.9 0.2 . 1 . . . . . 58 TYR C . 15610 1 635 . 1 1 58 58 TYR CA C 13 57.3 0.2 . 1 . . . . . 58 TYR CA . 15610 1 636 . 1 1 58 58 TYR CB C 13 40.8 0.2 . 1 . . . . . 58 TYR CB . 15610 1 637 . 1 1 58 58 TYR CD1 C 13 129.3 0.02 . 3 . . . . . 58 TYR CD1 . 15610 1 638 . 1 1 58 58 TYR CD2 C 13 129.3 0.02 . 3 . . . . . 58 TYR CD2 . 15610 1 639 . 1 1 58 58 TYR N N 15 127.3 0.2 . 1 . . . . . 58 TYR N . 15610 1 640 . 1 1 59 59 ARG H H 1 8.54 0.02 . 1 . . . . . 59 ARG H . 15610 1 641 . 1 1 59 59 ARG HA H 1 5.14 0.02 . 1 . . . . . 59 ARG HA . 15610 1 642 . 1 1 59 59 ARG HB2 H 1 1.45 0.02 . 2 . . . . . 59 ARG HB2 . 15610 1 643 . 1 1 59 59 ARG HB3 H 1 1.60 0.02 . 2 . . . . . 59 ARG HB3 . 15610 1 644 . 1 1 59 59 ARG HD2 H 1 3.11 0.02 . 2 . . . . . 59 ARG HD2 . 15610 1 645 . 1 1 59 59 ARG HD3 H 1 3.20 0.02 . 2 . . . . . 59 ARG HD3 . 15610 1 646 . 1 1 59 59 ARG HG2 H 1 1.56 0.02 . 2 . . . . . 59 ARG HG2 . 15610 1 647 . 1 1 59 59 ARG HG3 H 1 1.67 0.02 . 2 . . . . . 59 ARG HG3 . 15610 1 648 . 1 1 59 59 ARG C C 13 174.4 0.2 . 1 . . . . . 59 ARG C . 15610 1 649 . 1 1 59 59 ARG CA C 13 53.7 0.2 . 1 . . . . . 59 ARG CA . 15610 1 650 . 1 1 59 59 ARG CB C 13 34.7 0.2 . 1 . . . . . 59 ARG CB . 15610 1 651 . 1 1 59 59 ARG CD C 13 43.8 0.2 . 1 . . . . . 59 ARG CD . 15610 1 652 . 1 1 59 59 ARG CG C 13 27.4 0.2 . 1 . . . . . 59 ARG CG . 15610 1 653 . 1 1 59 59 ARG N N 15 122.3 0.2 . 1 . . . . . 59 ARG N . 15610 1 654 . 1 1 60 60 TYR H H 1 8.85 0.02 . 1 . . . . . 60 TYR H . 15610 1 655 . 1 1 60 60 TYR HA H 1 4.80 0.02 . 1 . . . . . 60 TYR HA . 15610 1 656 . 1 1 60 60 TYR HB2 H 1 2.71 0.02 . 2 . . . . . 60 TYR HB2 . 15610 1 657 . 1 1 60 60 TYR HB3 H 1 2.98 0.02 . 2 . . . . . 60 TYR HB3 . 15610 1 658 . 1 1 60 60 TYR HD1 H 1 6.89 0.02 . 3 . . . . . 60 TYR HD1 . 15610 1 659 . 1 1 60 60 TYR HD2 H 1 6.89 0.02 . 3 . . . . . 60 TYR HD2 . 15610 1 660 . 1 1 60 60 TYR C C 13 174.4 0.2 . 1 . . . . . 60 TYR C . 15610 1 661 . 1 1 60 60 TYR CA C 13 56.7 0.2 . 1 . . . . . 60 TYR CA . 15610 1 662 . 1 1 60 60 TYR CB C 13 39.7 0.2 . 1 . . . . . 60 TYR CB . 15610 1 663 . 1 1 60 60 TYR CD1 C 13 133.4 0.02 . 3 . . . . . 60 TYR CD1 . 15610 1 664 . 1 1 60 60 TYR CD2 C 13 133.4 0.02 . 3 . . . . . 60 TYR CD2 . 15610 1 665 . 1 1 60 60 TYR N N 15 126.4 0.2 . 1 . . . . . 60 TYR N . 15610 1 666 . 1 1 61 61 ASP H H 1 8.72 0.02 . 1 . . . . . 61 ASP H . 15610 1 667 . 1 1 61 61 ASP HA H 1 4.75 0.02 . 1 . . . . . 61 ASP HA . 15610 1 668 . 1 1 61 61 ASP HB2 H 1 2.14 0.02 . 2 . . . . . 61 ASP HB2 . 15610 1 669 . 1 1 61 61 ASP HB3 H 1 2.62 0.02 . 2 . . . . . 61 ASP HB3 . 15610 1 670 . 1 1 61 61 ASP CA C 13 49.5 0.2 . 1 . . . . . 61 ASP CA . 15610 1 671 . 1 1 61 61 ASP CB C 13 42.6 0.2 . 1 . . . . . 61 ASP CB . 15610 1 672 . 1 1 61 61 ASP N N 15 129.2 0.2 . 1 . . . . . 61 ASP N . 15610 1 673 . 1 1 62 62 PRO HA H 1 4.09 0.02 . 1 . . . . . 62 PRO HA . 15610 1 674 . 1 1 62 62 PRO HB2 H 1 1.99 0.02 . 2 . . . . . 62 PRO HB2 . 15610 1 675 . 1 1 62 62 PRO HB3 H 1 2.25 0.02 . 2 . . . . . 62 PRO HB3 . 15610 1 676 . 1 1 62 62 PRO HD2 H 1 2.94 0.02 . 2 . . . . . 62 PRO HD2 . 15610 1 677 . 1 1 62 62 PRO HD3 H 1 3.73 0.02 . 2 . . . . . 62 PRO HD3 . 15610 1 678 . 1 1 62 62 PRO HG2 H 1 1.79 0.02 . 2 . . . . . 62 PRO HG2 . 15610 1 679 . 1 1 62 62 PRO HG3 H 1 1.91 0.02 . 2 . . . . . 62 PRO HG3 . 15610 1 680 . 1 1 62 62 PRO C C 13 177.3 0.2 . 1 . . . . . 62 PRO C . 15610 1 681 . 1 1 62 62 PRO CA C 13 62.9 0.2 . 1 . . . . . 62 PRO CA . 15610 1 682 . 1 1 62 62 PRO CB C 13 31.7 0.2 . 1 . . . . . 62 PRO CB . 15610 1 683 . 1 1 62 62 PRO CD C 13 50.5 0.2 . 1 . . . . . 62 PRO CD . 15610 1 684 . 1 1 62 62 PRO CG C 13 26.1 0.2 . 1 . . . . . 62 PRO CG . 15610 1 685 . 1 1 63 63 SER H H 1 8.48 0.02 . 1 . . . . . 63 SER H . 15610 1 686 . 1 1 63 63 SER HA H 1 4.22 0.02 . 1 . . . . . 63 SER HA . 15610 1 687 . 1 1 63 63 SER HB2 H 1 3.74 0.02 . 2 . . . . . 63 SER HB2 . 15610 1 688 . 1 1 63 63 SER HB3 H 1 3.84 0.02 . 2 . . . . . 63 SER HB3 . 15610 1 689 . 1 1 63 63 SER C C 13 174.9 0.2 . 1 . . . . . 63 SER C . 15610 1 690 . 1 1 63 63 SER CA C 13 59.8 0.2 . 1 . . . . . 63 SER CA . 15610 1 691 . 1 1 63 63 SER CB C 13 63.4 0.2 . 1 . . . . . 63 SER CB . 15610 1 692 . 1 1 63 63 SER N N 15 115.7 0.2 . 1 . . . . . 63 SER N . 15610 1 693 . 1 1 64 64 LEU H H 1 7.51 0.02 . 1 . . . . . 64 LEU H . 15610 1 694 . 1 1 64 64 LEU HA H 1 4.27 0.02 . 1 . . . . . 64 LEU HA . 15610 1 695 . 1 1 64 64 LEU HB2 H 1 1.34 0.02 . 2 . . . . . 64 LEU HB2 . 15610 1 696 . 1 1 64 64 LEU HB3 H 1 1.59 0.02 . 2 . . . . . 64 LEU HB3 . 15610 1 697 . 1 1 64 64 LEU HD11 H 1 0.47 0.02 . 2 . . . . . 64 LEU HD1 . 15610 1 698 . 1 1 64 64 LEU HD12 H 1 0.47 0.02 . 2 . . . . . 64 LEU HD1 . 15610 1 699 . 1 1 64 64 LEU HD13 H 1 0.47 0.02 . 2 . . . . . 64 LEU HD1 . 15610 1 700 . 1 1 64 64 LEU HD21 H 1 0.55 0.02 . 2 . . . . . 64 LEU HD2 . 15610 1 701 . 1 1 64 64 LEU HD22 H 1 0.55 0.02 . 2 . . . . . 64 LEU HD2 . 15610 1 702 . 1 1 64 64 LEU HD23 H 1 0.55 0.02 . 2 . . . . . 64 LEU HD2 . 15610 1 703 . 1 1 64 64 LEU HG H 1 1.26 0.02 . 1 . . . . . 64 LEU HG . 15610 1 704 . 1 1 64 64 LEU C C 13 177.0 0.2 . 1 . . . . . 64 LEU C . 15610 1 705 . 1 1 64 64 LEU CA C 13 54.1 0.2 . 1 . . . . . 64 LEU CA . 15610 1 706 . 1 1 64 64 LEU CB C 13 41.8 0.2 . 1 . . . . . 64 LEU CB . 15610 1 707 . 1 1 64 64 LEU CD1 C 13 22.3 0.02 . 2 . . . . . 64 LEU CD1 . 15610 1 708 . 1 1 64 64 LEU CD2 C 13 25.9 0.02 . 2 . . . . . 64 LEU CD2 . 15610 1 709 . 1 1 64 64 LEU CG C 13 26.3 0.2 . 1 . . . . . 64 LEU CG . 15610 1 710 . 1 1 64 64 LEU N N 15 124.7 0.2 . 1 . . . . . 64 LEU N . 15610 1 711 . 1 1 65 65 SER H H 1 8.34 0.02 . 1 . . . . . 65 SER H . 15610 1 712 . 1 1 65 65 SER HA H 1 4.58 0.02 . 1 . . . . . 65 SER HA . 15610 1 713 . 1 1 65 65 SER HB2 H 1 3.90 0.02 . 2 . . . . . 65 SER HB2 . 15610 1 714 . 1 1 65 65 SER HB3 H 1 3.90 0.02 . 2 . . . . . 65 SER HB3 . 15610 1 715 . 1 1 65 65 SER C C 13 175.5 0.2 . 1 . . . . . 65 SER C . 15610 1 716 . 1 1 65 65 SER CA C 13 58.1 0.2 . 1 . . . . . 65 SER CA . 15610 1 717 . 1 1 65 65 SER CB C 13 63.8 0.2 . 1 . . . . . 65 SER CB . 15610 1 718 . 1 1 65 65 SER N N 15 115.6 0.2 . 1 . . . . . 65 SER N . 15610 1 719 . 1 1 66 66 TYR H H 1 8.31 0.02 . 1 . . . . . 66 TYR H . 15610 1 720 . 1 1 66 66 TYR HA H 1 4.20 0.02 . 1 . . . . . 66 TYR HA . 15610 1 721 . 1 1 66 66 TYR HB2 H 1 3.07 0.02 . 2 . . . . . 66 TYR HB2 . 15610 1 722 . 1 1 66 66 TYR HB3 H 1 3.07 0.02 . 2 . . . . . 66 TYR HB3 . 15610 1 723 . 1 1 66 66 TYR HD1 H 1 7.13 0.02 . 3 . . . . . 66 TYR HD1 . 15610 1 724 . 1 1 66 66 TYR HD2 H 1 7.13 0.02 . 3 . . . . . 66 TYR HD2 . 15610 1 725 . 1 1 66 66 TYR HE1 H 1 6.87 0.02 . 3 . . . . . 66 TYR HE1 . 15610 1 726 . 1 1 66 66 TYR HE2 H 1 6.87 0.02 . 3 . . . . . 66 TYR HE2 . 15610 1 727 . 1 1 66 66 TYR CA C 13 60.6 0.2 . 1 . . . . . 66 TYR CA . 15610 1 728 . 1 1 66 66 TYR CB C 13 37.7 0.2 . 1 . . . . . 66 TYR CB . 15610 1 729 . 1 1 66 66 TYR CD1 C 13 133.5 0.02 . 3 . . . . . 66 TYR CD1 . 15610 1 730 . 1 1 66 66 TYR CD2 C 13 133.5 0.02 . 3 . . . . . 66 TYR CD2 . 15610 1 731 . 1 1 66 66 TYR CE1 C 13 118.2 0.02 . 3 . . . . . 66 TYR CE1 . 15610 1 732 . 1 1 66 66 TYR CE2 C 13 118.2 0.02 . 3 . . . . . 66 TYR CE2 . 15610 1 733 . 1 1 66 66 TYR N N 15 118.8 0.2 . 1 . . . . . 66 TYR N . 15610 1 734 . 1 1 67 67 ASN HA H 1 4.66 0.02 . 1 . . . . . 67 ASN HA . 15610 1 735 . 1 1 67 67 ASN HB2 H 1 2.22 0.02 . 2 . . . . . 67 ASN HB2 . 15610 1 736 . 1 1 67 67 ASN HB3 H 1 2.94 0.02 . 2 . . . . . 67 ASN HB3 . 15610 1 737 . 1 1 67 67 ASN C C 13 174.1 0.2 . 1 . . . . . 67 ASN C . 15610 1 738 . 1 1 67 67 ASN CA C 13 51.0 0.2 . 1 . . . . . 67 ASN CA . 15610 1 739 . 1 1 67 67 ASN CB C 13 37.4 0.2 . 1 . . . . . 67 ASN CB . 15610 1 740 . 1 1 68 68 GLN H H 1 7.63 0.02 . 1 . . . . . 68 GLN H . 15610 1 741 . 1 1 68 68 GLN HA H 1 4.68 0.02 . 1 . . . . . 68 GLN HA . 15610 1 742 . 1 1 68 68 GLN HB2 H 1 2.01 0.02 . 2 . . . . . 68 GLN HB2 . 15610 1 743 . 1 1 68 68 GLN HB3 H 1 2.03 0.02 . 2 . . . . . 68 GLN HB3 . 15610 1 744 . 1 1 68 68 GLN HE21 H 1 6.84 0.02 . 2 . . . . . 68 GLN HE21 . 15610 1 745 . 1 1 68 68 GLN HE22 H 1 7.51 0.02 . 2 . . . . . 68 GLN HE22 . 15610 1 746 . 1 1 68 68 GLN HG2 H 1 2.27 0.02 . 2 . . . . . 68 GLN HG2 . 15610 1 747 . 1 1 68 68 GLN HG3 H 1 2.41 0.02 . 2 . . . . . 68 GLN HG3 . 15610 1 748 . 1 1 68 68 GLN C C 13 174.4 0.2 . 1 . . . . . 68 GLN C . 15610 1 749 . 1 1 68 68 GLN CA C 13 54.8 0.2 . 1 . . . . . 68 GLN CA . 15610 1 750 . 1 1 68 68 GLN CB C 13 32.3 0.2 . 1 . . . . . 68 GLN CB . 15610 1 751 . 1 1 68 68 GLN CG C 13 33.9 0.2 . 1 . . . . . 68 GLN CG . 15610 1 752 . 1 1 68 68 GLN N N 15 119.8 0.2 . 1 . . . . . 68 GLN N . 15610 1 753 . 1 1 68 68 GLN NE2 N 15 111.8 0.2 . 1 . . . . . 68 GLN NE2 . 15610 1 754 . 1 1 69 69 THR H H 1 8.26 0.02 . 1 . . . . . 69 THR H . 15610 1 755 . 1 1 69 69 THR HA H 1 5.14 0.02 . 1 . . . . . 69 THR HA . 15610 1 756 . 1 1 69 69 THR HB H 1 4.07 0.02 . 1 . . . . . 69 THR HB . 15610 1 757 . 1 1 69 69 THR HG21 H 1 1.08 0.02 . 1 . . . . . 69 THR HG2 . 15610 1 758 . 1 1 69 69 THR HG22 H 1 1.08 0.02 . 1 . . . . . 69 THR HG2 . 15610 1 759 . 1 1 69 69 THR HG23 H 1 1.08 0.02 . 1 . . . . . 69 THR HG2 . 15610 1 760 . 1 1 69 69 THR C C 13 173.7 0.2 . 1 . . . . . 69 THR C . 15610 1 761 . 1 1 69 69 THR CA C 13 59.8 0.2 . 1 . . . . . 69 THR CA . 15610 1 762 . 1 1 69 69 THR CB C 13 72.7 0.2 . 1 . . . . . 69 THR CB . 15610 1 763 . 1 1 69 69 THR CG2 C 13 23.6 0.2 . 1 . . . . . 69 THR CG2 . 15610 1 764 . 1 1 69 69 THR N N 15 110.0 0.2 . 1 . . . . . 69 THR N . 15610 1 765 . 1 1 70 70 ASN H H 1 8.76 0.02 . 1 . . . . . 70 ASN H . 15610 1 766 . 1 1 70 70 ASN HA H 1 4.78 0.02 . 1 . . . . . 70 ASN HA . 15610 1 767 . 1 1 70 70 ASN HB2 H 1 2.43 0.02 . 2 . . . . . 70 ASN HB2 . 15610 1 768 . 1 1 70 70 ASN HB3 H 1 2.97 0.02 . 2 . . . . . 70 ASN HB3 . 15610 1 769 . 1 1 70 70 ASN HD21 H 1 6.70 0.02 . 2 . . . . . 70 ASN HD21 . 15610 1 770 . 1 1 70 70 ASN HD22 H 1 7.82 0.02 . 2 . . . . . 70 ASN HD22 . 15610 1 771 . 1 1 70 70 ASN CA C 13 50.5 0.2 . 1 . . . . . 70 ASN CA . 15610 1 772 . 1 1 70 70 ASN CB C 13 41.5 0.2 . 1 . . . . . 70 ASN CB . 15610 1 773 . 1 1 70 70 ASN N N 15 118.3 0.2 . 1 . . . . . 70 ASN N . 15610 1 774 . 1 1 70 70 ASN ND2 N 15 113.8 0.2 . 1 . . . . . 70 ASN ND2 . 15610 1 775 . 1 1 71 71 PRO HA H 1 4.66 0.02 . 1 . . . . . 71 PRO HA . 15610 1 776 . 1 1 71 71 PRO HB2 H 1 1.51 0.02 . 2 . . . . . 71 PRO HB2 . 15610 1 777 . 1 1 71 71 PRO HB3 H 1 2.22 0.02 . 2 . . . . . 71 PRO HB3 . 15610 1 778 . 1 1 71 71 PRO HD2 H 1 2.87 0.02 . 2 . . . . . 71 PRO HD2 . 15610 1 779 . 1 1 71 71 PRO HD3 H 1 3.50 0.02 . 2 . . . . . 71 PRO HD3 . 15610 1 780 . 1 1 71 71 PRO HG2 H 1 0.32 0.02 . 2 . . . . . 71 PRO HG2 . 15610 1 781 . 1 1 71 71 PRO HG3 H 1 0.86 0.02 . 2 . . . . . 71 PRO HG3 . 15610 1 782 . 1 1 71 71 PRO C C 13 176.1 0.2 . 1 . . . . . 71 PRO C . 15610 1 783 . 1 1 71 71 PRO CA C 13 62.8 0.2 . 1 . . . . . 71 PRO CA . 15610 1 784 . 1 1 71 71 PRO CB C 13 35.0 0.2 . 1 . . . . . 71 PRO CB . 15610 1 785 . 1 1 71 71 PRO CD C 13 50.8 0.2 . 1 . . . . . 71 PRO CD . 15610 1 786 . 1 1 71 71 PRO CG C 13 25.0 0.2 . 1 . . . . . 71 PRO CG . 15610 1 787 . 1 1 72 72 THR H H 1 8.60 0.02 . 1 . . . . . 72 THR H . 15610 1 788 . 1 1 72 72 THR HA H 1 4.32 0.02 . 1 . . . . . 72 THR HA . 15610 1 789 . 1 1 72 72 THR HB H 1 4.32 0.02 . 1 . . . . . 72 THR HB . 15610 1 790 . 1 1 72 72 THR HG21 H 1 1.36 0.02 . 1 . . . . . 72 THR HG2 . 15610 1 791 . 1 1 72 72 THR HG22 H 1 1.36 0.02 . 1 . . . . . 72 THR HG2 . 15610 1 792 . 1 1 72 72 THR HG23 H 1 1.36 0.02 . 1 . . . . . 72 THR HG2 . 15610 1 793 . 1 1 72 72 THR C C 13 174.7 0.2 . 1 . . . . . 72 THR C . 15610 1 794 . 1 1 72 72 THR CA C 13 62.9 0.2 . 1 . . . . . 72 THR CA . 15610 1 795 . 1 1 72 72 THR CB C 13 69.6 0.2 . 1 . . . . . 72 THR CB . 15610 1 796 . 1 1 72 72 THR CG2 C 13 21.2 0.2 . 1 . . . . . 72 THR CG2 . 15610 1 797 . 1 1 72 72 THR N N 15 115.8 0.2 . 1 . . . . . 72 THR N . 15610 1 798 . 1 1 73 73 GLY H H 1 8.49 0.02 . 1 . . . . . 73 GLY H . 15610 1 799 . 1 1 73 73 GLY HA2 H 1 4.05 0.02 . 2 . . . . . 73 GLY HA2 . 15610 1 800 . 1 1 73 73 GLY HA3 H 1 4.33 0.02 . 2 . . . . . 73 GLY HA3 . 15610 1 801 . 1 1 73 73 GLY C C 13 176.3 0.2 . 1 . . . . . 73 GLY C . 15610 1 802 . 1 1 73 73 GLY CA C 13 46.3 0.2 . 1 . . . . . 73 GLY CA . 15610 1 803 . 1 1 73 73 GLY N N 15 109.5 0.2 . 1 . . . . . 73 GLY N . 15610 1 804 . 1 1 74 74 CYS H H 1 7.73 0.02 . 1 . . . . . 74 CYS H . 15610 1 805 . 1 1 74 74 CYS HA H 1 4.92 0.02 . 1 . . . . . 74 CYS HA . 15610 1 806 . 1 1 74 74 CYS HB2 H 1 2.89 0.02 . 2 . . . . . 74 CYS HB2 . 15610 1 807 . 1 1 74 74 CYS HB3 H 1 3.85 0.02 . 2 . . . . . 74 CYS HB3 . 15610 1 808 . 1 1 74 74 CYS C C 13 173.9 0.2 . 1 . . . . . 74 CYS C . 15610 1 809 . 1 1 74 74 CYS CA C 13 60.1 0.2 . 1 . . . . . 74 CYS CA . 15610 1 810 . 1 1 74 74 CYS CB C 13 28.0 0.2 . 1 . . . . . 74 CYS CB . 15610 1 811 . 1 1 74 74 CYS N N 15 115.5 0.2 . 1 . . . . . 74 CYS N . 15610 1 812 . 1 1 75 75 LEU H H 1 8.06 0.02 . 1 . . . . . 75 LEU H . 15610 1 813 . 1 1 75 75 LEU HA H 1 4.67 0.02 . 1 . . . . . 75 LEU HA . 15610 1 814 . 1 1 75 75 LEU HB2 H 1 1.56 0.02 . 2 . . . . . 75 LEU HB2 . 15610 1 815 . 1 1 75 75 LEU HB3 H 1 1.79 0.02 . 2 . . . . . 75 LEU HB3 . 15610 1 816 . 1 1 75 75 LEU HD11 H 1 0.94 0.02 . 2 . . . . . 75 LEU HD1 . 15610 1 817 . 1 1 75 75 LEU HD12 H 1 0.94 0.02 . 2 . . . . . 75 LEU HD1 . 15610 1 818 . 1 1 75 75 LEU HD13 H 1 0.94 0.02 . 2 . . . . . 75 LEU HD1 . 15610 1 819 . 1 1 75 75 LEU HD21 H 1 0.96 0.02 . 2 . . . . . 75 LEU HD2 . 15610 1 820 . 1 1 75 75 LEU HD22 H 1 0.96 0.02 . 2 . . . . . 75 LEU HD2 . 15610 1 821 . 1 1 75 75 LEU HD23 H 1 0.96 0.02 . 2 . . . . . 75 LEU HD2 . 15610 1 822 . 1 1 75 75 LEU HG H 1 1.57 0.02 . 1 . . . . . 75 LEU HG . 15610 1 823 . 1 1 75 75 LEU C C 13 176.5 0.2 . 1 . . . . . 75 LEU C . 15610 1 824 . 1 1 75 75 LEU CA C 13 56.2 0.2 . 1 . . . . . 75 LEU CA . 15610 1 825 . 1 1 75 75 LEU CB C 13 43.1 0.2 . 1 . . . . . 75 LEU CB . 15610 1 826 . 1 1 75 75 LEU CD1 C 13 24.4 0.02 . 2 . . . . . 75 LEU CD1 . 15610 1 827 . 1 1 75 75 LEU CD2 C 13 25.8 0.02 . 2 . . . . . 75 LEU CD2 . 15610 1 828 . 1 1 75 75 LEU CG C 13 27.3 0.2 . 1 . . . . . 75 LEU CG . 15610 1 829 . 1 1 75 75 LEU N N 15 122.3 0.2 . 1 . . . . . 75 LEU N . 15610 1 830 . 1 1 76 76 TYR H H 1 8.89 0.02 . 1 . . . . . 76 TYR H . 15610 1 831 . 1 1 76 76 TYR HA H 1 4.66 0.02 . 1 . . . . . 76 TYR HA . 15610 1 832 . 1 1 76 76 TYR HB2 H 1 2.49 0.02 . 2 . . . . . 76 TYR HB2 . 15610 1 833 . 1 1 76 76 TYR HB3 H 1 2.56 0.02 . 2 . . . . . 76 TYR HB3 . 15610 1 834 . 1 1 76 76 TYR HD1 H 1 6.82 0.02 . 3 . . . . . 76 TYR HD1 . 15610 1 835 . 1 1 76 76 TYR HD2 H 1 6.82 0.02 . 3 . . . . . 76 TYR HD2 . 15610 1 836 . 1 1 76 76 TYR C C 13 173.4 0.2 . 1 . . . . . 76 TYR C . 15610 1 837 . 1 1 76 76 TYR CA C 13 56.6 0.2 . 1 . . . . . 76 TYR CA . 15610 1 838 . 1 1 76 76 TYR CB C 13 39.6 0.2 . 1 . . . . . 76 TYR CB . 15610 1 839 . 1 1 76 76 TYR CD1 C 13 133.1 0.02 . 3 . . . . . 76 TYR CD1 . 15610 1 840 . 1 1 76 76 TYR CD2 C 13 133.1 0.02 . 3 . . . . . 76 TYR CD2 . 15610 1 841 . 1 1 76 76 TYR N N 15 129.0 0.2 . 1 . . . . . 76 TYR N . 15610 1 842 . 1 1 77 77 ASN H H 1 8.25 0.02 . 1 . . . . . 77 ASN H . 15610 1 843 . 1 1 77 77 ASN HA H 1 4.79 0.02 . 1 . . . . . 77 ASN HA . 15610 1 844 . 1 1 77 77 ASN HB2 H 1 2.35 0.02 . 2 . . . . . 77 ASN HB2 . 15610 1 845 . 1 1 77 77 ASN HB3 H 1 2.57 0.02 . 2 . . . . . 77 ASN HB3 . 15610 1 846 . 1 1 77 77 ASN HD21 H 1 6.68 0.02 . 2 . . . . . 77 ASN HD21 . 15610 1 847 . 1 1 77 77 ASN HD22 H 1 7.45 0.02 . 2 . . . . . 77 ASN HD22 . 15610 1 848 . 1 1 77 77 ASN CA C 13 50.2 0.2 . 1 . . . . . 77 ASN CA . 15610 1 849 . 1 1 77 77 ASN CB C 13 39.4 0.2 . 1 . . . . . 77 ASN CB . 15610 1 850 . 1 1 77 77 ASN N N 15 126.4 0.2 . 1 . . . . . 77 ASN N . 15610 1 851 . 1 1 77 77 ASN ND2 N 15 111.9 0.2 . 1 . . . . . 77 ASN ND2 . 15610 1 852 . 1 1 78 78 PRO HA H 1 4.07 0.02 . 1 . . . . . 78 PRO HA . 15610 1 853 . 1 1 78 78 PRO HB2 H 1 1.87 0.02 . 2 . . . . . 78 PRO HB2 . 15610 1 854 . 1 1 78 78 PRO HB3 H 1 1.95 0.02 . 2 . . . . . 78 PRO HB3 . 15610 1 855 . 1 1 78 78 PRO HD2 H 1 2.77 0.02 . 2 . . . . . 78 PRO HD2 . 15610 1 856 . 1 1 78 78 PRO HD3 H 1 3.35 0.02 . 2 . . . . . 78 PRO HD3 . 15610 1 857 . 1 1 78 78 PRO HG2 H 1 1.44 0.02 . 2 . . . . . 78 PRO HG2 . 15610 1 858 . 1 1 78 78 PRO HG3 H 1 1.69 0.02 . 2 . . . . . 78 PRO HG3 . 15610 1 859 . 1 1 78 78 PRO C C 13 176.7 0.2 . 1 . . . . . 78 PRO C . 15610 1 860 . 1 1 78 78 PRO CA C 13 63.0 0.2 . 1 . . . . . 78 PRO CA . 15610 1 861 . 1 1 78 78 PRO CB C 13 31.9 0.2 . 1 . . . . . 78 PRO CB . 15610 1 862 . 1 1 78 78 PRO CD C 13 50.2 0.2 . 1 . . . . . 78 PRO CD . 15610 1 863 . 1 1 78 78 PRO CG C 13 26.7 0.2 . 1 . . . . . 78 PRO CG . 15610 1 864 . 1 1 79 79 LYS H H 1 7.92 0.02 . 1 . . . . . 79 LYS H . 15610 1 865 . 1 1 79 79 LYS HA H 1 4.13 0.02 . 1 . . . . . 79 LYS HA . 15610 1 866 . 1 1 79 79 LYS HB2 H 1 1.66 0.02 . 2 . . . . . 79 LYS HB2 . 15610 1 867 . 1 1 79 79 LYS HB3 H 1 1.77 0.02 . 2 . . . . . 79 LYS HB3 . 15610 1 868 . 1 1 79 79 LYS HD2 H 1 1.61 0.02 . 2 . . . . . 79 LYS HD2 . 15610 1 869 . 1 1 79 79 LYS HD3 H 1 1.61 0.02 . 2 . . . . . 79 LYS HD3 . 15610 1 870 . 1 1 79 79 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 79 LYS HE2 . 15610 1 871 . 1 1 79 79 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 79 LYS HE3 . 15610 1 872 . 1 1 79 79 LYS HG2 H 1 1.29 0.02 . 2 . . . . . 79 LYS HG2 . 15610 1 873 . 1 1 79 79 LYS HG3 H 1 1.36 0.02 . 2 . . . . . 79 LYS HG3 . 15610 1 874 . 1 1 79 79 LYS C C 13 176.6 0.2 . 1 . . . . . 79 LYS C . 15610 1 875 . 1 1 79 79 LYS CA C 13 56.5 0.2 . 1 . . . . . 79 LYS CA . 15610 1 876 . 1 1 79 79 LYS CB C 13 32.3 0.2 . 1 . . . . . 79 LYS CB . 15610 1 877 . 1 1 79 79 LYS CD C 13 28.7 0.2 . 1 . . . . . 79 LYS CD . 15610 1 878 . 1 1 79 79 LYS CE C 13 42.0 0.2 . 1 . . . . . 79 LYS CE . 15610 1 879 . 1 1 79 79 LYS CG C 13 24.9 0.2 . 1 . . . . . 79 LYS CG . 15610 1 880 . 1 1 79 79 LYS N N 15 119.0 0.2 . 1 . . . . . 79 LYS N . 15610 1 881 . 1 1 80 80 LEU H H 1 7.65 0.02 . 1 . . . . . 80 LEU H . 15610 1 882 . 1 1 80 80 LEU HA H 1 4.22 0.02 . 1 . . . . . 80 LEU HA . 15610 1 883 . 1 1 80 80 LEU HB2 H 1 1.48 0.02 . 2 . . . . . 80 LEU HB2 . 15610 1 884 . 1 1 80 80 LEU HB3 H 1 1.48 0.02 . 2 . . . . . 80 LEU HB3 . 15610 1 885 . 1 1 80 80 LEU HD11 H 1 0.76 0.02 . 2 . . . . . 80 LEU HD1 . 15610 1 886 . 1 1 80 80 LEU HD12 H 1 0.76 0.02 . 2 . . . . . 80 LEU HD1 . 15610 1 887 . 1 1 80 80 LEU HD13 H 1 0.76 0.02 . 2 . . . . . 80 LEU HD1 . 15610 1 888 . 1 1 80 80 LEU HD21 H 1 0.85 0.02 . 2 . . . . . 80 LEU HD2 . 15610 1 889 . 1 1 80 80 LEU HD22 H 1 0.85 0.02 . 2 . . . . . 80 LEU HD2 . 15610 1 890 . 1 1 80 80 LEU HD23 H 1 0.85 0.02 . 2 . . . . . 80 LEU HD2 . 15610 1 891 . 1 1 80 80 LEU HG H 1 1.51 0.02 . 1 . . . . . 80 LEU HG . 15610 1 892 . 1 1 80 80 LEU C C 13 176.9 0.2 . 1 . . . . . 80 LEU C . 15610 1 893 . 1 1 80 80 LEU CA C 13 54.9 0.2 . 1 . . . . . 80 LEU CA . 15610 1 894 . 1 1 80 80 LEU CB C 13 42.1 0.2 . 1 . . . . . 80 LEU CB . 15610 1 895 . 1 1 80 80 LEU CD1 C 13 23.0 0.02 . 2 . . . . . 80 LEU CD1 . 15610 1 896 . 1 1 80 80 LEU CD2 C 13 24.9 0.02 . 2 . . . . . 80 LEU CD2 . 15610 1 897 . 1 1 80 80 LEU CG C 13 27.5 0.2 . 1 . . . . . 80 LEU CG . 15610 1 898 . 1 1 80 80 LEU N N 15 121.4 0.2 . 1 . . . . . 80 LEU N . 15610 1 899 . 1 1 81 81 GLU H H 1 8.16 0.02 . 1 . . . . . 81 GLU H . 15610 1 900 . 1 1 81 81 GLU HA H 1 4.16 0.02 . 1 . . . . . 81 GLU HA . 15610 1 901 . 1 1 81 81 GLU HB2 H 1 1.85 0.02 . 2 . . . . . 81 GLU HB2 . 15610 1 902 . 1 1 81 81 GLU HB3 H 1 1.85 0.02 . 2 . . . . . 81 GLU HB3 . 15610 1 903 . 1 1 81 81 GLU HG2 H 1 2.16 0.02 . 2 . . . . . 81 GLU HG2 . 15610 1 904 . 1 1 81 81 GLU HG3 H 1 2.16 0.02 . 2 . . . . . 81 GLU HG3 . 15610 1 905 . 1 1 81 81 GLU CA C 13 56.4 0.2 . 1 . . . . . 81 GLU CA . 15610 1 906 . 1 1 81 81 GLU CB C 13 30.3 0.2 . 1 . . . . . 81 GLU CB . 15610 1 907 . 1 1 81 81 GLU CG C 13 36.1 0.2 . 1 . . . . . 81 GLU CG . 15610 1 908 . 1 1 81 81 GLU N N 15 121.3 0.2 . 1 . . . . . 81 GLU N . 15610 1 stop_ save_